smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1F ZINC000159806289 206263821 /nfs/dbraw/zinc/26/38/21/206263821.db2.gz AGLMCQDCLBQTQF-WMLDXEAASA-N -1 3 349.427 3.272 20 70 EGIDHM CCCc1ccc(C(=O)CCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160769332 206312676 /nfs/dbraw/zinc/31/26/76/206312676.db2.gz DHSHPVMTHDQJHU-UHFFFAOYSA-N -1 3 326.396 3.245 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)[n-]2)o1 ZINC000160419853 455457013 /nfs/dbraw/zinc/45/70/13/455457013.db2.gz FBTKEWRXPQEFDY-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(Br)cc3)n2)o1 ZINC000160419853 455457014 /nfs/dbraw/zinc/45/70/14/455457014.db2.gz FBTKEWRXPQEFDY-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)n[n-]2)o1 ZINC000160419853 455457015 /nfs/dbraw/zinc/45/70/15/455457015.db2.gz FBTKEWRXPQEFDY-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(C)c3)[n-]2)o1 ZINC000160272175 455444186 /nfs/dbraw/zinc/44/41/86/455444186.db2.gz ARVZXRKWMKPDBA-LBPRGKRZSA-N -1 3 326.356 3.088 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)o1 ZINC000160272175 455444188 /nfs/dbraw/zinc/44/41/88/455444188.db2.gz ARVZXRKWMKPDBA-LBPRGKRZSA-N -1 3 326.356 3.088 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(C)c3)n[n-]2)o1 ZINC000160272175 455444190 /nfs/dbraw/zinc/44/41/90/455444190.db2.gz ARVZXRKWMKPDBA-LBPRGKRZSA-N -1 3 326.356 3.088 20 70 EGIDHM Cc1nc(C)c(CC(=O)Nc2ccccc2SC(C)C)c(=O)[n-]1 ZINC000160906766 455512452 /nfs/dbraw/zinc/51/24/52/455512452.db2.gz GAKFOHZCDDGAFI-UHFFFAOYSA-N -1 3 331.441 3.068 20 70 EGIDHM COc1cccc2c1CC[C@@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000161369609 455563621 /nfs/dbraw/zinc/56/36/21/455563621.db2.gz CNWOSPDRLHAVCF-INIZCTEOSA-N -1 3 331.799 3.400 20 70 EGIDHM CCc1ccc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000160990404 206322010 /nfs/dbraw/zinc/32/20/10/206322010.db2.gz RSFJCODKWGOWPW-LBPRGKRZSA-N -1 3 329.396 3.463 20 70 EGIDHM COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)cc(OC)c1[O-] ZINC000161021534 206323537 /nfs/dbraw/zinc/32/35/37/206323537.db2.gz RDBNKYWNJXNCJV-UHFFFAOYSA-N -1 3 341.816 3.397 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Cc3cccc(F)c3)[n-]2)o1 ZINC000160388068 455454194 /nfs/dbraw/zinc/45/41/94/455454194.db2.gz TYSOBTJVUAXDPF-SNVBAGLBSA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Cc3cccc(F)c3)n2)o1 ZINC000160388068 455454195 /nfs/dbraw/zinc/45/41/95/455454195.db2.gz TYSOBTJVUAXDPF-SNVBAGLBSA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Cc3cccc(F)c3)n[n-]2)o1 ZINC000160388068 455454196 /nfs/dbraw/zinc/45/41/96/455454196.db2.gz TYSOBTJVUAXDPF-SNVBAGLBSA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)[n-]2)o1 ZINC000160271895 455443789 /nfs/dbraw/zinc/44/37/89/455443789.db2.gz VALLBCAIWDIKNN-LBPRGKRZSA-N -1 3 326.356 3.088 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3ccc(C)cc3)n2)o1 ZINC000160271895 455443794 /nfs/dbraw/zinc/44/37/94/455443794.db2.gz VALLBCAIWDIKNN-LBPRGKRZSA-N -1 3 326.356 3.088 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C)cc3)n[n-]2)o1 ZINC000160271895 455443800 /nfs/dbraw/zinc/44/38/00/455443800.db2.gz VALLBCAIWDIKNN-LBPRGKRZSA-N -1 3 326.356 3.088 20 70 EGIDHM CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160289015 455445528 /nfs/dbraw/zinc/44/55/28/455445528.db2.gz GGJBWUKVGOBFAS-UHFFFAOYSA-N -1 3 342.355 3.033 20 70 EGIDHM CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000160289015 455445532 /nfs/dbraw/zinc/44/55/32/455445532.db2.gz GGJBWUKVGOBFAS-UHFFFAOYSA-N -1 3 342.355 3.033 20 70 EGIDHM CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000160289015 455445538 /nfs/dbraw/zinc/44/55/38/455445538.db2.gz GGJBWUKVGOBFAS-UHFFFAOYSA-N -1 3 342.355 3.033 20 70 EGIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@H](c2ccsc2)C1 ZINC000160546512 455472756 /nfs/dbraw/zinc/47/27/56/455472756.db2.gz UTKKPWQGAHAWPZ-HNNXBMFYSA-N -1 3 337.828 3.250 20 70 EGIDHM COc1cc(Br)c(NC(=O)[N-]OCC(C)C)cc1OC ZINC000159485877 206248443 /nfs/dbraw/zinc/24/84/43/206248443.db2.gz BAWWWOUSXUBOEA-UHFFFAOYSA-N -1 3 347.209 3.175 20 70 EGIDHM COc1cc(C(=O)NC[C@@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000161355822 206343282 /nfs/dbraw/zinc/34/32/82/206343282.db2.gz NKZWXKDAZNGZFE-AWEZNQCLSA-N -1 3 341.407 3.259 20 70 EGIDHM Cc1cccc(C(=O)NCc2ccnc(N3CCCCCC3)c2)c1[O-] ZINC000216987581 266194246 /nfs/dbraw/zinc/19/42/46/266194246.db2.gz HKICCXNVPXNUHH-UHFFFAOYSA-N -1 3 339.439 3.406 20 70 EGIDHM CC(C)(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000161035910 307897507 /nfs/dbraw/zinc/89/75/07/307897507.db2.gz BUUHXLDEJAWDGB-INIZCTEOSA-N -1 3 336.391 3.087 20 70 EGIDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c(F)cc1F ZINC000160162785 455434485 /nfs/dbraw/zinc/43/44/85/455434485.db2.gz QFJWVKVKIJMKBZ-SNVBAGLBSA-N -1 3 327.352 3.018 20 70 EGIDHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160391224 455454122 /nfs/dbraw/zinc/45/41/22/455454122.db2.gz ZSVKCCOKIYDZQE-UONOGXRCSA-N -1 3 338.367 3.124 20 70 EGIDHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160391224 455454125 /nfs/dbraw/zinc/45/41/25/455454125.db2.gz ZSVKCCOKIYDZQE-UONOGXRCSA-N -1 3 338.367 3.124 20 70 EGIDHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160391224 455454129 /nfs/dbraw/zinc/45/41/29/455454129.db2.gz ZSVKCCOKIYDZQE-UONOGXRCSA-N -1 3 338.367 3.124 20 70 EGIDHM COc1ccccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000161025153 455525297 /nfs/dbraw/zinc/52/52/97/455525297.db2.gz SLEQGLIUDQTNNL-UHFFFAOYSA-N -1 3 335.278 3.052 20 70 EGIDHM O=S(=O)([N-][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccs1 ZINC000159847840 206267609 /nfs/dbraw/zinc/26/76/09/206267609.db2.gz FQCCJMZKWUPBLN-DZGCQCFKSA-N -1 3 337.466 3.194 20 70 EGIDHM CCc1cc(=O)[n-]c(CSCCC(=O)N(C)c2ccccc2)n1 ZINC000160151637 206282227 /nfs/dbraw/zinc/28/22/27/206282227.db2.gz NHJICHJOVCVDFW-UHFFFAOYSA-N -1 3 331.441 3.031 20 70 EGIDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(C)ncn3)s2)c(C)c1 ZINC000160365221 307888607 /nfs/dbraw/zinc/88/86/07/307888607.db2.gz CTYDZIYYDGCCLW-UHFFFAOYSA-N -1 3 325.397 3.173 20 70 EGIDHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1O ZINC000160665900 307893370 /nfs/dbraw/zinc/89/33/70/307893370.db2.gz FPWKHUHGWYQESY-UHFFFAOYSA-N -1 3 326.327 3.242 20 70 EGIDHM COC(=O)c1cccc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1 ZINC000159779608 455403663 /nfs/dbraw/zinc/40/36/63/455403663.db2.gz NEGCTMOEGVLHDT-ZDUSSCGKSA-N -1 3 333.409 3.019 20 70 EGIDHM O=C(/C=C/c1ccc(Br)cc1)[N-]OCc1cccnc1 ZINC000160750449 455495118 /nfs/dbraw/zinc/49/51/18/455495118.db2.gz JCLFFEWUQJAGBB-VMPITWQZSA-N -1 3 333.185 3.105 20 70 EGIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000159369059 546937168 /nfs/dbraw/zinc/93/71/68/546937168.db2.gz QPIREQFUGJOVIC-UHFFFAOYSA-N -1 3 337.894 3.416 20 70 EGIDHM Cc1cccc2c(CCC(=O)Nc3nnc(C(F)(F)F)[n-]3)c[nH]c21 ZINC000161461644 206350571 /nfs/dbraw/zinc/35/05/71/206350571.db2.gz ZFFOGFLMNQCHJX-UHFFFAOYSA-N -1 3 337.305 3.185 20 70 EGIDHM Cc1cccc2c(CCC(=O)Nc3nc(C(F)(F)F)n[n-]3)c[nH]c21 ZINC000161461644 206350574 /nfs/dbraw/zinc/35/05/74/206350574.db2.gz ZFFOGFLMNQCHJX-UHFFFAOYSA-N -1 3 337.305 3.185 20 70 EGIDHM COc1cccc(C(=O)Nc2cc(C3CCCCC3)nn2C)c1[O-] ZINC000159509623 455381247 /nfs/dbraw/zinc/38/12/47/455381247.db2.gz YSYKADWOUWJXQG-UHFFFAOYSA-N -1 3 329.400 3.434 20 70 EGIDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)cc1F ZINC000160172434 455434322 /nfs/dbraw/zinc/43/43/22/455434322.db2.gz CKNPYDFDYAUQNS-JTQLQIEISA-N -1 3 327.352 3.018 20 70 EGIDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1C ZINC000160823166 455503047 /nfs/dbraw/zinc/50/30/47/455503047.db2.gz KWJUVFXTKCYUKM-UHFFFAOYSA-N -1 3 337.372 3.030 20 70 EGIDHM COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc(OC)c1[O-] ZINC000160999444 455522208 /nfs/dbraw/zinc/52/22/08/455522208.db2.gz YSMAGYPOEFBFQJ-SECBINFHSA-N -1 3 337.322 3.179 20 70 EGIDHM COc1cc(C(=O)N2CCC(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000161289495 455556003 /nfs/dbraw/zinc/55/60/03/455556003.db2.gz LZDURCZYXUSXTB-UHFFFAOYSA-N -1 3 341.407 3.429 20 70 EGIDHM Cc1ccc(-c2[nH]nc(NC(=O)c3c[n-]c4ccccc4c3=O)c2C)o1 ZINC000161391031 455565730 /nfs/dbraw/zinc/56/57/30/455565730.db2.gz SLCIBJSAOSKUJL-UHFFFAOYSA-N -1 3 348.362 3.380 20 70 EGIDHM Cc1ccc(-c2[nH]nc(NC(=O)c3cnc4ccccc4c3[O-])c2C)o1 ZINC000161391031 455565736 /nfs/dbraw/zinc/56/57/36/455565736.db2.gz SLCIBJSAOSKUJL-UHFFFAOYSA-N -1 3 348.362 3.380 20 70 EGIDHM CC(C)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)OC(C)(C)C ZINC000161422759 455568765 /nfs/dbraw/zinc/56/87/65/455568765.db2.gz FGAXFEBHOOVCRK-HNNXBMFYSA-N -1 3 341.835 3.071 20 70 EGIDHM Cc1cccnc1[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000160112665 206281129 /nfs/dbraw/zinc/28/11/29/206281129.db2.gz CLRXPZNCRNLXNK-INIZCTEOSA-N -1 3 331.391 3.431 20 70 EGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(Br)ccc1F ZINC000160158769 206282498 /nfs/dbraw/zinc/28/24/98/206282498.db2.gz MFKWBYKMVZZYJA-LLVKDONJSA-N -1 3 333.157 3.168 20 70 EGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Br)ccc1F ZINC000160158769 206282502 /nfs/dbraw/zinc/28/25/02/206282502.db2.gz MFKWBYKMVZZYJA-LLVKDONJSA-N -1 3 333.157 3.168 20 70 EGIDHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1F ZINC000160500097 206301137 /nfs/dbraw/zinc/30/11/37/206301137.db2.gz LEJMSJUPEDZDBF-LURJTMIESA-N -1 3 334.248 3.234 20 70 EGIDHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1F ZINC000160500097 206301142 /nfs/dbraw/zinc/30/11/42/206301142.db2.gz LEJMSJUPEDZDBF-LURJTMIESA-N -1 3 334.248 3.234 20 70 EGIDHM Cc1ccc([O-])c(C(=O)NCc2ccnc(N3CCCCCC3)c2)c1 ZINC000216988658 266195103 /nfs/dbraw/zinc/19/51/03/266195103.db2.gz QRCMQDFDIWPUHJ-UHFFFAOYSA-N -1 3 339.439 3.406 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160208858 455438843 /nfs/dbraw/zinc/43/88/43/455438843.db2.gz YKTVCTOACLJLDT-YGRLFVJLSA-N -1 3 336.313 3.165 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccccc3)[n-]2)o1 ZINC000160361595 455450830 /nfs/dbraw/zinc/45/08/30/455450830.db2.gz FHKVLEOXBAFRQR-NSHDSACASA-N -1 3 328.397 3.492 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Sc3ccccc3)n2)o1 ZINC000160361595 455450835 /nfs/dbraw/zinc/45/08/35/455450835.db2.gz FHKVLEOXBAFRQR-NSHDSACASA-N -1 3 328.397 3.492 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Sc3ccccc3)n[n-]2)o1 ZINC000160361595 455450839 /nfs/dbraw/zinc/45/08/39/455450839.db2.gz FHKVLEOXBAFRQR-NSHDSACASA-N -1 3 328.397 3.492 20 70 EGIDHM COC(=O)C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000160465743 455462091 /nfs/dbraw/zinc/46/20/91/455462091.db2.gz ZRIQZOMEYOKILC-INIZCTEOSA-N -1 3 347.798 3.009 20 70 EGIDHM C[C@@H](CSCc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000159596365 206254576 /nfs/dbraw/zinc/25/45/76/206254576.db2.gz MYXGOUHRSPVSOL-VIFPVBQESA-N -1 3 344.362 3.332 20 70 EGIDHM C[C@@H](CSCc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000159596365 206254577 /nfs/dbraw/zinc/25/45/77/206254577.db2.gz MYXGOUHRSPVSOL-VIFPVBQESA-N -1 3 344.362 3.332 20 70 EGIDHM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[N-]OCC(C)C ZINC000159608912 206254641 /nfs/dbraw/zinc/25/46/41/206254641.db2.gz ZFIKRUHZYSBENB-UHFFFAOYSA-N -1 3 333.432 3.377 20 70 EGIDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)SC)c2)n1 ZINC000159966261 206273405 /nfs/dbraw/zinc/27/34/05/206273405.db2.gz OLCKVCFHYJVULJ-LLVKDONJSA-N -1 3 331.441 3.079 20 70 EGIDHM COc1cc(C(=O)N2CCCc3cc(C)ccc32)cc(OC)c1[O-] ZINC000161263788 206337545 /nfs/dbraw/zinc/33/75/45/206337545.db2.gz UJSPEQHUYKVYOX-UHFFFAOYSA-N -1 3 327.380 3.311 20 70 EGIDHM O=S(=O)([N-]Cc1ccncc1)c1cc2cc(Cl)ccc2s1 ZINC000159520820 455382429 /nfs/dbraw/zinc/38/24/29/455382429.db2.gz PVAFVXATKMMESK-UHFFFAOYSA-N -1 3 338.841 3.428 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)[n-]2)o1 ZINC000160293230 455445113 /nfs/dbraw/zinc/44/51/13/455445113.db2.gz KQYAQSMAGPISGH-NEPJUHHUSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)n2)o1 ZINC000160293230 455445115 /nfs/dbraw/zinc/44/51/15/455445115.db2.gz KQYAQSMAGPISGH-NEPJUHHUSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3F)n[n-]2)o1 ZINC000160293230 455445118 /nfs/dbraw/zinc/44/51/18/455445118.db2.gz KQYAQSMAGPISGH-NEPJUHHUSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(OC(F)F)cc3)[n-]2)o1 ZINC000160436225 455459393 /nfs/dbraw/zinc/45/93/93/455459393.db2.gz QOEOFBWUUKTPPC-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(OC(F)F)cc3)n2)o1 ZINC000160436225 455459395 /nfs/dbraw/zinc/45/93/95/455459395.db2.gz QOEOFBWUUKTPPC-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(OC(F)F)cc3)n[n-]2)o1 ZINC000160436225 455459397 /nfs/dbraw/zinc/45/93/97/455459397.db2.gz QOEOFBWUUKTPPC-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)oc21 ZINC000160356464 546945305 /nfs/dbraw/zinc/94/53/05/546945305.db2.gz ADLJKWKQTXMFAF-UHFFFAOYSA-N -1 3 338.323 3.380 20 70 EGIDHM COc1cccc2cc(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)oc21 ZINC000160356464 546945309 /nfs/dbraw/zinc/94/53/09/546945309.db2.gz ADLJKWKQTXMFAF-UHFFFAOYSA-N -1 3 338.323 3.380 20 70 EGIDHM COc1cccc2cc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)oc21 ZINC000160356464 546945310 /nfs/dbraw/zinc/94/53/10/546945310.db2.gz ADLJKWKQTXMFAF-UHFFFAOYSA-N -1 3 338.323 3.380 20 70 EGIDHM CC(=O)c1sc2[n-]c(CSc3ccncc3)nc(=O)c2c1C ZINC000159931002 307882286 /nfs/dbraw/zinc/88/22/86/307882286.db2.gz VGPYXBOBKGUHDX-UHFFFAOYSA-N -1 3 331.422 3.183 20 70 EGIDHM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n[nH]1 ZINC000160679975 307893320 /nfs/dbraw/zinc/89/33/20/307893320.db2.gz WQHDJADPCABTBN-UHFFFAOYSA-N -1 3 347.371 3.450 20 70 EGIDHM O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccn(C2CCCC2)n1 ZINC000159717148 455398758 /nfs/dbraw/zinc/39/87/58/455398758.db2.gz YGWLFCYFBPKTTI-UHFFFAOYSA-N -1 3 340.362 3.175 20 70 EGIDHM Cc1cccc(CS(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1 ZINC000161006373 455523432 /nfs/dbraw/zinc/52/34/32/455523432.db2.gz AIOZHCXQMHULCU-UHFFFAOYSA-N -1 3 333.306 3.493 20 70 EGIDHM CCC(CC)c1cc(C(=O)[N-]c2nc3c(s2)CN(C)CC3)on1 ZINC000161280230 455555941 /nfs/dbraw/zinc/55/59/41/455555941.db2.gz GHCVYCMEFWYSJK-UHFFFAOYSA-N -1 3 334.445 3.275 20 70 EGIDHM COc1cc(C(=O)N(Cc2cccs2)C2CC2)cc(OC)c1[O-] ZINC000161372584 455564213 /nfs/dbraw/zinc/56/42/13/455564213.db2.gz KFOOCOQCVHYOEK-UHFFFAOYSA-N -1 3 333.409 3.276 20 70 EGIDHM COc1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc(OC)c1[O-] ZINC000159775430 225274604 /nfs/dbraw/zinc/27/46/04/225274604.db2.gz NKHGZWFFNZZBET-BBRMVZONSA-N -1 3 341.407 3.428 20 70 EGIDHM CCOC(=O)c1ccc(NC(=O)c2ccn(C3CCCC3)n2)c([O-])c1 ZINC000159782122 455403470 /nfs/dbraw/zinc/40/34/70/455403470.db2.gz RATIUWSKDGLKTG-UHFFFAOYSA-N -1 3 343.383 3.133 20 70 EGIDHM CCOC(=O)c1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c([O-])c1 ZINC000160182121 455435172 /nfs/dbraw/zinc/43/51/72/455435172.db2.gz PYMGHLOOHUEWAJ-JTQLQIEISA-N -1 3 345.399 3.041 20 70 EGIDHM CCc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1CC ZINC000160215093 455438341 /nfs/dbraw/zinc/43/83/41/455438341.db2.gz SKGMVGBLNXUORO-UHFFFAOYSA-N -1 3 333.453 3.413 20 70 EGIDHM COc1ccc(CCCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160375053 455452198 /nfs/dbraw/zinc/45/21/98/455452198.db2.gz WPKRKWZRDXVIBI-UHFFFAOYSA-N -1 3 340.383 3.343 20 70 EGIDHM COc1ccc(CCCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160375053 455452202 /nfs/dbraw/zinc/45/22/02/455452202.db2.gz WPKRKWZRDXVIBI-UHFFFAOYSA-N -1 3 340.383 3.343 20 70 EGIDHM COc1ccc(CCCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160375053 455452205 /nfs/dbraw/zinc/45/22/05/455452205.db2.gz WPKRKWZRDXVIBI-UHFFFAOYSA-N -1 3 340.383 3.343 20 70 EGIDHM CSCc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160308127 455446712 /nfs/dbraw/zinc/44/67/12/455446712.db2.gz XMLLLNKGIOEAAE-UHFFFAOYSA-N -1 3 328.397 3.488 20 70 EGIDHM CSCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160308127 455446717 /nfs/dbraw/zinc/44/67/17/455446717.db2.gz XMLLLNKGIOEAAE-UHFFFAOYSA-N -1 3 328.397 3.488 20 70 EGIDHM CSCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160308127 455446724 /nfs/dbraw/zinc/44/67/24/455446724.db2.gz XMLLLNKGIOEAAE-UHFFFAOYSA-N -1 3 328.397 3.488 20 70 EGIDHM C[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc(F)cc1F ZINC000160541995 455472114 /nfs/dbraw/zinc/47/21/14/455472114.db2.gz USKFAJIHHMVUHR-JTQLQIEISA-N -1 3 343.337 3.277 20 70 EGIDHM C[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc(F)cc1F ZINC000160541995 455472118 /nfs/dbraw/zinc/47/21/18/455472118.db2.gz USKFAJIHHMVUHR-JTQLQIEISA-N -1 3 343.337 3.277 20 70 EGIDHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1F ZINC000160541995 455472122 /nfs/dbraw/zinc/47/21/22/455472122.db2.gz USKFAJIHHMVUHR-JTQLQIEISA-N -1 3 343.337 3.277 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(OC(F)F)c3)[n-]2)o1 ZINC000160194696 546944711 /nfs/dbraw/zinc/94/47/11/546944711.db2.gz JCLJBVSTEKYNTF-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cccc(OC(F)F)c3)n2)o1 ZINC000160194696 546944715 /nfs/dbraw/zinc/94/47/15/546944715.db2.gz JCLJBVSTEKYNTF-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(OC(F)F)c3)n[n-]2)o1 ZINC000160194696 546944718 /nfs/dbraw/zinc/94/47/18/546944718.db2.gz JCLJBVSTEKYNTF-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1noc(Cl)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000160139110 307885258 /nfs/dbraw/zinc/88/52/58/307885258.db2.gz BRINHIHTMABGDY-UHFFFAOYSA-N -1 3 345.580 3.286 20 70 EGIDHM Cc1cc(Oc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2)n[nH]1 ZINC000159514967 455382521 /nfs/dbraw/zinc/38/25/21/455382521.db2.gz ZSNPQGYTIWBNGP-UHFFFAOYSA-N -1 3 334.339 3.034 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CNc3c(C)cccc3C)[n-]2)o1 ZINC000160171001 455434545 /nfs/dbraw/zinc/43/45/45/455434545.db2.gz IFEJLNSPIHJFAX-UHFFFAOYSA-N -1 3 325.372 3.041 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CNc3c(C)cccc3C)n2)o1 ZINC000160171001 455434550 /nfs/dbraw/zinc/43/45/50/455434550.db2.gz IFEJLNSPIHJFAX-UHFFFAOYSA-N -1 3 325.372 3.041 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CNc3c(C)cccc3C)n[n-]2)o1 ZINC000160171001 455434553 /nfs/dbraw/zinc/43/45/53/455434553.db2.gz IFEJLNSPIHJFAX-UHFFFAOYSA-N -1 3 325.372 3.041 20 70 EGIDHM CCOC(=O)c1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c([O-])c1 ZINC000160182007 455435002 /nfs/dbraw/zinc/43/50/02/455435002.db2.gz PYMGHLOOHUEWAJ-SNVBAGLBSA-N -1 3 345.399 3.041 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCCOc3ccc(F)cc3)[n-]2)o1 ZINC000160180035 455435575 /nfs/dbraw/zinc/43/55/75/455435575.db2.gz DPPPJNUKWBUFKW-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCOc3ccc(F)cc3)n2)o1 ZINC000160180035 455435579 /nfs/dbraw/zinc/43/55/79/455435579.db2.gz DPPPJNUKWBUFKW-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCCOc3ccc(F)cc3)n[n-]2)o1 ZINC000160180035 455435585 /nfs/dbraw/zinc/43/55/85/455435585.db2.gz DPPPJNUKWBUFKW-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccccc3Cl)[n-]2)o1 ZINC000160271064 455443293 /nfs/dbraw/zinc/44/32/93/455443293.db2.gz HCRMKBYYZBBKMT-UHFFFAOYSA-N -1 3 332.747 3.044 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccccc3Cl)n2)o1 ZINC000160271064 455443296 /nfs/dbraw/zinc/44/32/96/455443296.db2.gz HCRMKBYYZBBKMT-UHFFFAOYSA-N -1 3 332.747 3.044 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)COc3ccccc3Cl)n[n-]2)o1 ZINC000160271064 455443302 /nfs/dbraw/zinc/44/33/02/455443302.db2.gz HCRMKBYYZBBKMT-UHFFFAOYSA-N -1 3 332.747 3.044 20 70 EGIDHM CC(C)CO[N-]C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000160304339 528117760 /nfs/dbraw/zinc/11/77/60/528117760.db2.gz SNWQYLBGGJFPQG-UHFFFAOYSA-N -1 3 342.461 3.109 20 70 EGIDHM Cc1cccc([C@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccn2)c1 ZINC000159780607 140947112 /nfs/dbraw/zinc/94/71/12/140947112.db2.gz RZROWVARQUEZTB-IBGZPJMESA-N -1 3 343.390 3.181 20 70 EGIDHM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000161058797 307897879 /nfs/dbraw/zinc/89/78/79/307897879.db2.gz NWRZZUZTEZBVNC-UHFFFAOYSA-N -1 3 341.816 3.466 20 70 EGIDHM O=C(NCCCc1c[nH]c2ccccc12)NCc1ccc([O-])c(F)c1 ZINC000159393100 455374088 /nfs/dbraw/zinc/37/40/88/455374088.db2.gz KVJPQBNVCOMUSI-UHFFFAOYSA-N -1 3 341.386 3.445 20 70 EGIDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cc1OC ZINC000161050411 455527790 /nfs/dbraw/zinc/52/77/90/455527790.db2.gz POQLYRIEGMGLSI-UHFFFAOYSA-N -1 3 341.816 3.466 20 70 EGIDHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccs1 ZINC000159847985 225291405 /nfs/dbraw/zinc/29/14/05/225291405.db2.gz FQCCJMZKWUPBLN-ZFWWWQNUSA-N -1 3 337.466 3.194 20 70 EGIDHM CC(=O)Nc1cc(C(=O)Nc2ncccc2[O-])cc(C(F)(F)F)c1 ZINC000159725253 307878525 /nfs/dbraw/zinc/87/85/25/307878525.db2.gz TYOTYINJDYLOFS-UHFFFAOYSA-N -1 3 339.273 3.017 20 70 EGIDHM COc1cc(C(=O)NCCc2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000160813175 307895032 /nfs/dbraw/zinc/89/50/32/307895032.db2.gz GVWGCOSWTWWKLZ-UHFFFAOYSA-N -1 3 335.787 3.035 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160208990 455438793 /nfs/dbraw/zinc/43/87/93/455438793.db2.gz YKTVCTOACLJLDT-HZMBPMFUSA-N -1 3 336.313 3.165 20 70 EGIDHM COC(=O)c1cccc2nc(NC(=O)CCO[C@@H](C)CC(C)C)[n-]c21 ZINC000159933676 455416717 /nfs/dbraw/zinc/41/67/17/455416717.db2.gz SCHWPSYQHYFMLU-LBPRGKRZSA-N -1 3 347.415 3.129 20 70 EGIDHM COC(=O)c1cccc2[n-]c(NC(=O)CCO[C@@H](C)CC(C)C)nc21 ZINC000159933676 455416722 /nfs/dbraw/zinc/41/67/22/455416722.db2.gz SCHWPSYQHYFMLU-LBPRGKRZSA-N -1 3 347.415 3.129 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4c(cccc4F)[nH]3)[n-]2)o1 ZINC000160375436 455451956 /nfs/dbraw/zinc/45/19/56/455451956.db2.gz BUGHMTRWAPRLHS-UHFFFAOYSA-N -1 3 325.303 3.246 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4c(cccc4F)[nH]3)n2)o1 ZINC000160375436 455451958 /nfs/dbraw/zinc/45/19/58/455451958.db2.gz BUGHMTRWAPRLHS-UHFFFAOYSA-N -1 3 325.303 3.246 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cc4c(cccc4F)[nH]3)n[n-]2)o1 ZINC000160375436 455451963 /nfs/dbraw/zinc/45/19/63/455451963.db2.gz BUGHMTRWAPRLHS-UHFFFAOYSA-N -1 3 325.303 3.246 20 70 EGIDHM Cc1cc(OCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C)c1Cl ZINC000160802692 455499506 /nfs/dbraw/zinc/49/95/06/455499506.db2.gz SVTHWSOSSURFOP-UHFFFAOYSA-N -1 3 348.712 3.111 20 70 EGIDHM Cc1cc(OCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C)c1Cl ZINC000160802692 455499510 /nfs/dbraw/zinc/49/95/10/455499510.db2.gz SVTHWSOSSURFOP-UHFFFAOYSA-N -1 3 348.712 3.111 20 70 EGIDHM Cc1cc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1F ZINC000161106873 455533748 /nfs/dbraw/zinc/53/37/48/455533748.db2.gz SLLLCYLUMIBQMF-UHFFFAOYSA-N -1 3 342.345 3.353 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(OC(F)F)c3)[n-]2)o1 ZINC000160241022 455440819 /nfs/dbraw/zinc/44/08/19/455440819.db2.gz YFIUALRFBBSOSX-UHFFFAOYSA-N -1 3 334.282 3.227 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(OC(F)F)c3)n2)o1 ZINC000160241022 455440823 /nfs/dbraw/zinc/44/08/23/455440823.db2.gz YFIUALRFBBSOSX-UHFFFAOYSA-N -1 3 334.282 3.227 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(OC(F)F)c3)n[n-]2)o1 ZINC000160241022 455440824 /nfs/dbraw/zinc/44/08/24/455440824.db2.gz YFIUALRFBBSOSX-UHFFFAOYSA-N -1 3 334.282 3.227 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)COc3cc(C)ccc3C)[n-]2)o1 ZINC000160241172 455440976 /nfs/dbraw/zinc/44/09/76/455440976.db2.gz CTRWIOXWBNYNGK-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3cc(C)ccc3C)n2)o1 ZINC000160241172 455440979 /nfs/dbraw/zinc/44/09/79/455440979.db2.gz CTRWIOXWBNYNGK-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)COc3cc(C)ccc3C)n[n-]2)o1 ZINC000160241172 455440982 /nfs/dbraw/zinc/44/09/82/455440982.db2.gz CTRWIOXWBNYNGK-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cnn(-c4ccccc4)c3C)[n-]2)o1 ZINC000160253304 455441414 /nfs/dbraw/zinc/44/14/14/455441414.db2.gz RRSSHGPZLCPEAO-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(-c4ccccc4)c3C)n2)o1 ZINC000160253304 455441417 /nfs/dbraw/zinc/44/14/17/455441417.db2.gz RRSSHGPZLCPEAO-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4)c3C)n[n-]2)o1 ZINC000160253304 455441424 /nfs/dbraw/zinc/44/14/24/455441424.db2.gz RRSSHGPZLCPEAO-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(C)c3)[n-]2)o1 ZINC000160272304 455444208 /nfs/dbraw/zinc/44/42/08/455444208.db2.gz 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ZINC000159482588 455379491 /nfs/dbraw/zinc/37/94/91/455379491.db2.gz JGGPUTJQKALFHU-UHFFFAOYSA-N -1 3 333.815 3.263 20 70 EGIDHM Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000161019312 455524323 /nfs/dbraw/zinc/52/43/23/455524323.db2.gz AFJZVGMQMOMGEV-UHFFFAOYSA-N -1 3 337.269 3.491 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCCc3csc(C)n3)[n-]2)o1 ZINC000160310708 534225071 /nfs/dbraw/zinc/22/50/71/534225071.db2.gz OBOQDMNQTSKKIF-UHFFFAOYSA-N -1 3 331.401 3.099 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCc3csc(C)n3)n2)o1 ZINC000160310708 534225076 /nfs/dbraw/zinc/22/50/76/534225076.db2.gz OBOQDMNQTSKKIF-UHFFFAOYSA-N -1 3 331.401 3.099 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCCc3csc(C)n3)n[n-]2)o1 ZINC000160310708 534225083 /nfs/dbraw/zinc/22/50/83/534225083.db2.gz OBOQDMNQTSKKIF-UHFFFAOYSA-N -1 3 331.401 3.099 20 70 EGIDHM COc1ccc(Br)c(CC(=O)Nc2ccccc2[O-])c1 ZINC000160528337 307891151 /nfs/dbraw/zinc/89/11/51/307891151.db2.gz PJVDGJQDUJFDBX-UHFFFAOYSA-N -1 3 336.185 3.345 20 70 EGIDHM 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/nfs/dbraw/zinc/44/30/70/455443070.db2.gz YDIXJTWFSASYLK-UHFFFAOYSA-N -1 3 338.367 3.414 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(OCC4CC4)cc3)n[n-]2)o1 ZINC000160267458 455443071 /nfs/dbraw/zinc/44/30/71/455443071.db2.gz YDIXJTWFSASYLK-UHFFFAOYSA-N -1 3 338.367 3.414 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)[n-]2)o1 ZINC000160191411 455435951 /nfs/dbraw/zinc/43/59/51/455435951.db2.gz ZQKKDFOCCKCVFK-MNOVXSKESA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)n2)o1 ZINC000160191411 455435954 /nfs/dbraw/zinc/43/59/54/455435954.db2.gz ZQKKDFOCCKCVFK-MNOVXSKESA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)n[n-]2)o1 ZINC000160191411 455435956 /nfs/dbraw/zinc/43/59/56/455435956.db2.gz ZQKKDFOCCKCVFK-MNOVXSKESA-N -1 3 344.321 3.394 20 70 EGIDHM O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc(N2CCCCC2)cn1 ZINC000160921488 455513811 /nfs/dbraw/zinc/51/38/11/455513811.db2.gz FOIFZUCIAGLUFC-UHFFFAOYSA-N -1 3 349.431 3.153 20 70 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3.344 20 70 EGIDHM COc1ccc([O-])c(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000159473240 455379347 /nfs/dbraw/zinc/37/93/47/455379347.db2.gz DBMHXKQXHAKYMI-UHFFFAOYSA-N -1 3 337.379 3.063 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3c[nH]c4ccccc34)[n-]2)o1 ZINC000160223920 455440039 /nfs/dbraw/zinc/44/00/39/455440039.db2.gz QKSBAZPUCZFECK-UHFFFAOYSA-N -1 3 335.367 3.426 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3c[nH]c4ccccc34)n2)o1 ZINC000160223920 455440042 /nfs/dbraw/zinc/44/00/42/455440042.db2.gz QKSBAZPUCZFECK-UHFFFAOYSA-N -1 3 335.367 3.426 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCc3c[nH]c4ccccc34)n[n-]2)o1 ZINC000160223920 455440046 /nfs/dbraw/zinc/44/00/46/455440046.db2.gz QKSBAZPUCZFECK-UHFFFAOYSA-N -1 3 335.367 3.426 20 70 EGIDHM CCOc1ccc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160316934 455447103 /nfs/dbraw/zinc/44/71/03/455447103.db2.gz NCQNRAKOMRSWDH-UHFFFAOYSA-N -1 3 340.383 3.343 20 70 EGIDHM CCOc1ccc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160316934 455447107 /nfs/dbraw/zinc/44/71/07/455447107.db2.gz NCQNRAKOMRSWDH-UHFFFAOYSA-N -1 3 340.383 3.343 20 70 EGIDHM CCOc1ccc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160316934 455447109 /nfs/dbraw/zinc/44/71/09/455447109.db2.gz NCQNRAKOMRSWDH-UHFFFAOYSA-N -1 3 340.383 3.343 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCCOc3cccc(F)c3)[n-]2)o1 ZINC000160373530 455451556 /nfs/dbraw/zinc/45/15/56/455451556.db2.gz BDQHDMYUGXEYMD-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCOc3cccc(F)c3)n2)o1 ZINC000160373530 455451559 /nfs/dbraw/zinc/45/15/59/455451559.db2.gz BDQHDMYUGXEYMD-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCCOc3cccc(F)c3)n[n-]2)o1 ZINC000160373530 455451564 /nfs/dbraw/zinc/45/15/64/455451564.db2.gz BDQHDMYUGXEYMD-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000160446713 455459869 /nfs/dbraw/zinc/45/98/69/455459869.db2.gz SYFONWSYPRBVTK-QGZVFWFLSA-N -1 3 328.387 3.352 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(Br)cc2)n1 ZINC000160525586 455469508 /nfs/dbraw/zinc/46/95/08/455469508.db2.gz UCZIMZQGPAUGCD-UHFFFAOYSA-N -1 3 336.233 3.139 20 70 EGIDHM COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc(OC)c1[O-] ZINC000160999326 455522290 /nfs/dbraw/zinc/52/22/90/455522290.db2.gz YSMAGYPOEFBFQJ-VIFPVBQESA-N -1 3 337.322 3.179 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(CCCCOC)Cc2ccccc2)n1 ZINC000161006450 455523364 /nfs/dbraw/zinc/52/33/64/455523364.db2.gz XOXGCXICPUWKPH-UHFFFAOYSA-N -1 3 329.444 3.173 20 70 EGIDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)SC)c2)n1 ZINC000159966399 529506507 /nfs/dbraw/zinc/50/65/07/529506507.db2.gz OLCKVCFHYJVULJ-NSHDSACASA-N -1 3 331.441 3.079 20 70 EGIDHM O=C(/C=C/C1CCCCC1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216742792 266193174 /nfs/dbraw/zinc/19/31/74/266193174.db2.gz KKHXOAVNMOVQPO-VOTSOKGWSA-N -1 3 346.393 3.040 20 70 EGIDHM O=C(/C=C/c1ccc(Br)s1)[N-]OCc1cccnc1 ZINC000160790480 307894648 /nfs/dbraw/zinc/89/46/48/307894648.db2.gz YGFUDUZMBBOVCJ-GQCTYLIASA-N -1 3 339.214 3.167 20 70 EGIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000160333202 455448169 /nfs/dbraw/zinc/44/81/69/455448169.db2.gz FZJQMJBLNSQWJE-VIFPVBQESA-N -1 3 345.770 3.062 20 70 EGIDHM Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)s1 ZINC000161025015 140967058 /nfs/dbraw/zinc/96/70/58/140967058.db2.gz WHUPWWUQRDXQEH-UHFFFAOYSA-N -1 3 325.308 3.414 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3Cl)[n-]2)o1 ZINC000160180835 455435304 /nfs/dbraw/zinc/43/53/04/455435304.db2.gz RFXPSRCKVDLIEY-JTQLQIEISA-N -1 3 346.774 3.433 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3ccccc3Cl)n2)o1 ZINC000160180835 455435309 /nfs/dbraw/zinc/43/53/09/455435309.db2.gz RFXPSRCKVDLIEY-JTQLQIEISA-N -1 3 346.774 3.433 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3Cl)n[n-]2)o1 ZINC000160180835 455435314 /nfs/dbraw/zinc/43/53/14/455435314.db2.gz RFXPSRCKVDLIEY-JTQLQIEISA-N -1 3 346.774 3.433 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3c[nH]c4c3cccc4C)[n-]2)o1 ZINC000160209231 455438393 /nfs/dbraw/zinc/43/83/93/455438393.db2.gz NLCWDQSJHXKKFU-UHFFFAOYSA-N -1 3 335.367 3.344 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3c[nH]c4c3cccc4C)n2)o1 ZINC000160209231 455438398 /nfs/dbraw/zinc/43/83/98/455438398.db2.gz NLCWDQSJHXKKFU-UHFFFAOYSA-N -1 3 335.367 3.344 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3c[nH]c4c3cccc4C)n[n-]2)o1 ZINC000160209231 455438404 /nfs/dbraw/zinc/43/84/04/455438404.db2.gz NLCWDQSJHXKKFU-UHFFFAOYSA-N -1 3 335.367 3.344 20 70 EGIDHM COc1ccc(Cl)cc1CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160343024 455449613 /nfs/dbraw/zinc/44/96/13/455449613.db2.gz XILCUWSMSPSTSO-UHFFFAOYSA-N -1 3 346.774 3.216 20 70 EGIDHM COc1ccc(Cl)cc1CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160343024 455449619 /nfs/dbraw/zinc/44/96/19/455449619.db2.gz XILCUWSMSPSTSO-UHFFFAOYSA-N -1 3 346.774 3.216 20 70 EGIDHM COc1ccc(Cl)cc1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160343024 455449625 /nfs/dbraw/zinc/44/96/25/455449625.db2.gz XILCUWSMSPSTSO-UHFFFAOYSA-N -1 3 346.774 3.216 20 70 EGIDHM CC[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC)cc1 ZINC000160504381 455468079 /nfs/dbraw/zinc/46/80/79/455468079.db2.gz ZQUKANPAFBFRQW-SECBINFHSA-N -1 3 342.321 3.355 20 70 EGIDHM CC[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC)cc1 ZINC000160504381 455468083 /nfs/dbraw/zinc/46/80/83/455468083.db2.gz ZQUKANPAFBFRQW-SECBINFHSA-N -1 3 342.321 3.355 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3cccc(F)c3F)[n-]2)o1 ZINC000160277715 455443718 /nfs/dbraw/zinc/44/37/18/455443718.db2.gz NACGDNLGDLDXTO-UHFFFAOYSA-N -1 3 332.310 3.223 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3cccc(F)c3F)n2)o1 ZINC000160277715 455443723 /nfs/dbraw/zinc/44/37/23/455443723.db2.gz NACGDNLGDLDXTO-UHFFFAOYSA-N -1 3 332.310 3.223 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCc3cccc(F)c3F)n[n-]2)o1 ZINC000160277715 455443728 /nfs/dbraw/zinc/44/37/28/455443728.db2.gz NACGDNLGDLDXTO-UHFFFAOYSA-N -1 3 332.310 3.223 20 70 EGIDHM O=C(c1ccc(O)cc1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000160624275 455480821 /nfs/dbraw/zinc/48/08/21/455480821.db2.gz SADLQYMOXBXSLR-UHFFFAOYSA-N -1 3 347.798 3.435 20 70 EGIDHM CCCN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161263361 455554181 /nfs/dbraw/zinc/55/41/81/455554181.db2.gz VJLNRYROMJQDCW-UHFFFAOYSA-N -1 3 329.396 3.462 20 70 EGIDHM COc1ccc(C(F)(F)C(=O)[N-]Cc2nc(C3CC3)cs2)cc1 ZINC000159770494 533370641 /nfs/dbraw/zinc/37/06/41/533370641.db2.gz PUMNRUMFAPMVMN-UHFFFAOYSA-N -1 3 338.379 3.437 20 70 EGIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1CC ZINC000160024934 307883743 /nfs/dbraw/zinc/88/37/43/307883743.db2.gz WUFQORDBLSKXTF-UHFFFAOYSA-N -1 3 347.440 3.103 20 70 EGIDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160345579 455449993 /nfs/dbraw/zinc/44/99/93/455449993.db2.gz DBKJWOIRKBJCLE-XJKSGUPXSA-N -1 3 338.423 3.172 20 70 EGIDHM COC(=O)c1cccc2nc(NC(=O)CCO[C@H](C)CC(C)C)[n-]c21 ZINC000159933539 455416948 /nfs/dbraw/zinc/41/69/48/455416948.db2.gz SCHWPSYQHYFMLU-GFCCVEGCSA-N -1 3 347.415 3.129 20 70 EGIDHM COC(=O)c1cccc2[n-]c(NC(=O)CCO[C@H](C)CC(C)C)nc21 ZINC000159933539 455416955 /nfs/dbraw/zinc/41/69/55/455416955.db2.gz SCHWPSYQHYFMLU-GFCCVEGCSA-N -1 3 347.415 3.129 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccc(C)c(C)c3)[n-]2)o1 ZINC000160328674 455448595 /nfs/dbraw/zinc/44/85/95/455448595.db2.gz WNCHNQKCWVMZPP-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc(C)c(C)c3)n2)o1 ZINC000160328674 455448601 /nfs/dbraw/zinc/44/86/01/455448601.db2.gz WNCHNQKCWVMZPP-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)COc3ccc(C)c(C)c3)n[n-]2)o1 ZINC000160328674 455448607 /nfs/dbraw/zinc/44/86/07/455448607.db2.gz WNCHNQKCWVMZPP-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000160459229 455460870 /nfs/dbraw/zinc/46/08/70/455460870.db2.gz IEIHIPQAWVSHPJ-GFCCVEGCSA-N -1 3 333.815 3.383 20 70 EGIDHM COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1[O-] ZINC000160781481 307894829 /nfs/dbraw/zinc/89/48/29/307894829.db2.gz MUBQJOJNVOBHNL-UHFFFAOYSA-N -1 3 325.723 3.454 20 70 EGIDHM COC(=O)c1ccc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cc1 ZINC000159781338 455404157 /nfs/dbraw/zinc/40/41/57/455404157.db2.gz HKFSYUDILKMFEM-ZDUSSCGKSA-N -1 3 333.409 3.019 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccccc3OC(F)F)[n-]2)o1 ZINC000160208793 455438368 /nfs/dbraw/zinc/43/83/68/455438368.db2.gz RSLDVOYYWGIFHX-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccccc3OC(F)F)n2)o1 ZINC000160208793 455438372 /nfs/dbraw/zinc/43/83/72/455438372.db2.gz RSLDVOYYWGIFHX-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccccc3OC(F)F)n[n-]2)o1 ZINC000160208793 455438378 /nfs/dbraw/zinc/43/83/78/455438378.db2.gz RSLDVOYYWGIFHX-UHFFFAOYSA-N -1 3 348.309 3.156 20 70 EGIDHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1c[n-]c2ccccc2c1=O ZINC000160318592 455447018 /nfs/dbraw/zinc/44/70/18/455447018.db2.gz FKJUTAJUHNZDRL-CQSZACIVSA-N -1 3 340.423 3.140 20 70 EGIDHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1c[n-]c2ccccc2c1=O ZINC000160318733 455447662 /nfs/dbraw/zinc/44/76/62/455447662.db2.gz FKJUTAJUHNZDRL-AWEZNQCLSA-N -1 3 340.423 3.140 20 70 EGIDHM COc1cc(C(=O)NCCc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000161016906 455523932 /nfs/dbraw/zinc/52/39/32/455523932.db2.gz KGMAIXNDKMTFBU-UHFFFAOYSA-N -1 3 335.787 3.035 20 70 EGIDHM CC(C)CO[N-]C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000159361308 528118509 /nfs/dbraw/zinc/11/85/09/528118509.db2.gz XAWFOFCYOKSFLP-CQSZACIVSA-N -1 3 333.432 3.410 20 70 EGIDHM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccncc1[O-] ZINC000160755703 307894320 /nfs/dbraw/zinc/89/43/20/307894320.db2.gz ADMMABYNAUSTQD-UHFFFAOYSA-N -1 3 344.758 3.062 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)[n-]2)o1 ZINC000160293360 455446039 /nfs/dbraw/zinc/44/60/39/455446039.db2.gz KQYAQSMAGPISGH-NWDGAFQWSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)n2)o1 ZINC000160293360 455446041 /nfs/dbraw/zinc/44/60/41/455446041.db2.gz KQYAQSMAGPISGH-NWDGAFQWSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3F)n[n-]2)o1 ZINC000160293360 455446044 /nfs/dbraw/zinc/44/60/44/455446044.db2.gz KQYAQSMAGPISGH-NWDGAFQWSA-N -1 3 344.321 3.394 20 70 EGIDHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000160332142 455448949 /nfs/dbraw/zinc/44/89/49/455448949.db2.gz HHPNBBBFANINCR-UHFFFAOYSA-N -1 3 334.366 3.447 20 70 EGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Br)c(F)c1 ZINC000161163625 455542526 /nfs/dbraw/zinc/54/25/26/455542526.db2.gz XCARUOPAMLMGKS-LLVKDONJSA-N -1 3 333.157 3.168 20 70 EGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Br)c(F)c1 ZINC000161163625 455542530 /nfs/dbraw/zinc/54/25/30/455542530.db2.gz XCARUOPAMLMGKS-LLVKDONJSA-N -1 3 333.157 3.168 20 70 EGIDHM CN(C)Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000160138006 307885300 /nfs/dbraw/zinc/88/53/00/307885300.db2.gz JVWKASSWTZATHV-UHFFFAOYSA-N -1 3 349.228 3.469 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Cc3ccccc3F)[n-]2)o1 ZINC000160175736 455434877 /nfs/dbraw/zinc/43/48/77/455434877.db2.gz HTWBNNXRJDKGSM-SNVBAGLBSA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Cc3ccccc3F)n2)o1 ZINC000160175736 455434879 /nfs/dbraw/zinc/43/48/79/455434879.db2.gz HTWBNNXRJDKGSM-SNVBAGLBSA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Cc3ccccc3F)n[n-]2)o1 ZINC000160175736 455434881 /nfs/dbraw/zinc/43/48/81/455434881.db2.gz HTWBNNXRJDKGSM-SNVBAGLBSA-N -1 3 328.347 3.330 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2C(F)(F)F)n1 ZINC000160659991 455484882 /nfs/dbraw/zinc/48/48/82/455484882.db2.gz KCYHIFIKLQXVHZ-UHFFFAOYSA-N -1 3 325.334 3.395 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)[n-]2)o1 ZINC000160168969 455434160 /nfs/dbraw/zinc/43/41/60/455434160.db2.gz ORVBBDNNQPLMNL-UHFFFAOYSA-N -1 3 332.360 3.243 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CSc3ccc(F)cc3)n2)o1 ZINC000160168969 455434164 /nfs/dbraw/zinc/43/41/64/455434164.db2.gz ORVBBDNNQPLMNL-UHFFFAOYSA-N -1 3 332.360 3.243 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CSc3ccc(F)cc3)n[n-]2)o1 ZINC000160168969 455434167 /nfs/dbraw/zinc/43/41/67/455434167.db2.gz ORVBBDNNQPLMNL-UHFFFAOYSA-N -1 3 332.360 3.243 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cn(-c4ccccc4)nc3C)[n-]2)o1 ZINC000160231557 455441050 /nfs/dbraw/zinc/44/10/50/455441050.db2.gz PCMNUUAXQPVMMI-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cn(-c4ccccc4)nc3C)n2)o1 ZINC000160231557 455441055 /nfs/dbraw/zinc/44/10/55/455441055.db2.gz PCMNUUAXQPVMMI-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cn(-c4ccccc4)nc3C)n[n-]2)o1 ZINC000160231557 455441059 /nfs/dbraw/zinc/44/10/59/455441059.db2.gz PCMNUUAXQPVMMI-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM CCOc1ncc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1Cl ZINC000160275866 455443392 /nfs/dbraw/zinc/44/33/92/455443392.db2.gz NOUVURFPPBZNOS-UHFFFAOYSA-N -1 3 347.762 3.073 20 70 EGIDHM CCOc1ncc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1Cl ZINC000160275866 455443396 /nfs/dbraw/zinc/44/33/96/455443396.db2.gz NOUVURFPPBZNOS-UHFFFAOYSA-N -1 3 347.762 3.073 20 70 EGIDHM CCOc1ncc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1Cl ZINC000160275866 455443401 /nfs/dbraw/zinc/44/34/01/455443401.db2.gz NOUVURFPPBZNOS-UHFFFAOYSA-N -1 3 347.762 3.073 20 70 EGIDHM CCSc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccn1 ZINC000160300861 455446216 /nfs/dbraw/zinc/44/62/16/455446216.db2.gz NHMRQTKVYHQOQF-UHFFFAOYSA-N -1 3 329.385 3.132 20 70 EGIDHM CCSc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccn1 ZINC000160300861 455446221 /nfs/dbraw/zinc/44/62/21/455446221.db2.gz NHMRQTKVYHQOQF-UHFFFAOYSA-N -1 3 329.385 3.132 20 70 EGIDHM CCSc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccn1 ZINC000160300861 455446226 /nfs/dbraw/zinc/44/62/26/455446226.db2.gz NHMRQTKVYHQOQF-UHFFFAOYSA-N -1 3 329.385 3.132 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cnn(-c4ccccc4C)c3)[n-]2)o1 ZINC000160335724 455448314 /nfs/dbraw/zinc/44/83/14/455448314.db2.gz ASVYBBACOXGETJ-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(-c4ccccc4C)c3)n2)o1 ZINC000160335724 455448320 /nfs/dbraw/zinc/44/83/20/455448320.db2.gz ASVYBBACOXGETJ-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4C)c3)n[n-]2)o1 ZINC000160335724 455448324 /nfs/dbraw/zinc/44/83/24/455448324.db2.gz ASVYBBACOXGETJ-UHFFFAOYSA-N -1 3 348.366 3.120 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccccc3)[n-]2)o1 ZINC000160361492 455450388 /nfs/dbraw/zinc/45/03/88/455450388.db2.gz FHKVLEOXBAFRQR-LLVKDONJSA-N -1 3 328.397 3.492 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Sc3ccccc3)n2)o1 ZINC000160361492 455450394 /nfs/dbraw/zinc/45/03/94/455450394.db2.gz FHKVLEOXBAFRQR-LLVKDONJSA-N -1 3 328.397 3.492 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Sc3ccccc3)n[n-]2)o1 ZINC000160361492 455450398 /nfs/dbraw/zinc/45/03/98/455450398.db2.gz FHKVLEOXBAFRQR-LLVKDONJSA-N -1 3 328.397 3.492 20 70 EGIDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1F ZINC000160805012 455500128 /nfs/dbraw/zinc/50/01/28/455500128.db2.gz VKFVLFFFRFAOOE-UHFFFAOYSA-N -1 3 340.351 3.032 20 70 EGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000160796758 455500195 /nfs/dbraw/zinc/50/01/95/455500195.db2.gz XFWRZMQSVVFPIR-CYBMUJFWSA-N -1 3 338.411 3.265 20 70 EGIDHM COc1cc(C(=O)N(C)Cc2cccc(Cl)c2)cc(OC)c1[O-] ZINC000160971112 455519476 /nfs/dbraw/zinc/51/94/76/455519476.db2.gz XZPMUZFYBOEQKR-UHFFFAOYSA-N -1 3 335.787 3.335 20 70 EGIDHM COc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc(OC)c1[O-] ZINC000161240178 455551200 /nfs/dbraw/zinc/55/12/00/455551200.db2.gz RWUUQQDRUCLTQF-INIZCTEOSA-N -1 3 341.407 3.257 20 70 EGIDHM O=C1[N-]C(=O)c2cc(NCc3ccc(Br)c(F)c3)ccc21 ZINC000161244599 455552402 /nfs/dbraw/zinc/55/24/02/455552402.db2.gz VHCQHFPZEVNVJL-UHFFFAOYSA-N -1 3 349.159 3.084 20 70 EGIDHM COc1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc(OC)c1[O-] ZINC000159775286 225275674 /nfs/dbraw/zinc/27/56/74/225275674.db2.gz NKHGZWFFNZZBET-CJNGLKHVSA-N -1 3 341.407 3.428 20 70 EGIDHM CC[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC)cc1 ZINC000160504246 455467980 /nfs/dbraw/zinc/46/79/80/455467980.db2.gz ZQUKANPAFBFRQW-VIFPVBQESA-N -1 3 342.321 3.355 20 70 EGIDHM CC[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC)cc1 ZINC000160504246 455467987 /nfs/dbraw/zinc/46/79/87/455467987.db2.gz ZQUKANPAFBFRQW-VIFPVBQESA-N -1 3 342.321 3.355 20 70 EGIDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c1 ZINC000160152101 455433266 /nfs/dbraw/zinc/43/32/66/455433266.db2.gz PBFQKHUJJDXUPP-JTQLQIEISA-N -1 3 341.816 3.094 20 70 EGIDHM COc1cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc(OC)c1[O-] ZINC000161477270 455573702 /nfs/dbraw/zinc/57/37/02/455573702.db2.gz OBGQVHSNWCRDCP-UHFFFAOYSA-N -1 3 326.352 3.451 20 70 EGIDHM CSc1ncc(C(=O)Nc2ncccc2[O-])n1-c1ccc(F)cc1 ZINC000216836245 574520076 /nfs/dbraw/zinc/52/00/76/574520076.db2.gz HKWARGALNNOADH-UHFFFAOYSA-N -1 3 344.371 3.086 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)[n-]2)o1 ZINC000160174529 455435285 /nfs/dbraw/zinc/43/52/85/455435285.db2.gz KMTNNWNVTUBEHX-VHSXEESVSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)n2)o1 ZINC000160174529 455435288 /nfs/dbraw/zinc/43/52/88/455435288.db2.gz KMTNNWNVTUBEHX-VHSXEESVSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)n[n-]2)o1 ZINC000160174529 455435293 /nfs/dbraw/zinc/43/52/93/455435293.db2.gz KMTNNWNVTUBEHX-VHSXEESVSA-N -1 3 344.321 3.394 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160209217 455438665 /nfs/dbraw/zinc/43/86/65/455438665.db2.gz YKTVCTOACLJLDT-IINYFYTJSA-N -1 3 336.313 3.165 20 70 EGIDHM CC(C)NC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000159412412 455375425 /nfs/dbraw/zinc/37/54/25/455375425.db2.gz SERGBBREZUPTAF-UHFFFAOYSA-N -1 3 332.787 3.436 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)[n-]2)o1 ZINC000160191654 455436653 /nfs/dbraw/zinc/43/66/53/455436653.db2.gz ZQKKDFOCCKCVFK-QWRGUYRKSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)n2)o1 ZINC000160191654 455436656 /nfs/dbraw/zinc/43/66/56/455436656.db2.gz ZQKKDFOCCKCVFK-QWRGUYRKSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)n[n-]2)o1 ZINC000160191654 455436659 /nfs/dbraw/zinc/43/66/59/455436659.db2.gz ZQKKDFOCCKCVFK-QWRGUYRKSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)[n-]2)o1 ZINC000160293498 455446659 /nfs/dbraw/zinc/44/66/59/455446659.db2.gz KQYAQSMAGPISGH-RYUDHWBXSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)n2)o1 ZINC000160293498 455446664 /nfs/dbraw/zinc/44/66/64/455446664.db2.gz KQYAQSMAGPISGH-RYUDHWBXSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3F)n[n-]2)o1 ZINC000160293498 455446669 /nfs/dbraw/zinc/44/66/69/455446669.db2.gz KQYAQSMAGPISGH-RYUDHWBXSA-N -1 3 344.321 3.394 20 70 EGIDHM O=C(/C=C/c1ccccc1Br)[N-]OCc1cccnc1 ZINC000160751020 455495167 /nfs/dbraw/zinc/49/51/67/455495167.db2.gz DFQUJRYXZKOHCC-BQYQJAHWSA-N -1 3 333.185 3.105 20 70 EGIDHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Br ZINC000160812965 455501518 /nfs/dbraw/zinc/50/15/18/455501518.db2.gz SDHMDZRLJOFQLV-UHFFFAOYSA-N -1 3 349.110 3.147 20 70 EGIDHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Br ZINC000160812965 455501520 /nfs/dbraw/zinc/50/15/20/455501520.db2.gz SDHMDZRLJOFQLV-UHFFFAOYSA-N -1 3 349.110 3.147 20 70 EGIDHM CC(C)CO[N-]C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000160086113 206279636 /nfs/dbraw/zinc/27/96/36/206279636.db2.gz DDMKCPWGRHPSSV-UHFFFAOYSA-N -1 3 339.289 3.070 20 70 EGIDHM CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOCC1 ZINC000160976907 206320610 /nfs/dbraw/zinc/32/06/10/206320610.db2.gz URYUHZCKDMVMLW-UHFFFAOYSA-N -1 3 345.873 3.402 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCCOc3ccccc3)[n-]2)o1 ZINC000160169440 455434134 /nfs/dbraw/zinc/43/41/34/455434134.db2.gz XPCIWURHMVODJP-UHFFFAOYSA-N -1 3 326.356 3.171 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCOc3ccccc3)n2)o1 ZINC000160169440 455434138 /nfs/dbraw/zinc/43/41/38/455434138.db2.gz XPCIWURHMVODJP-UHFFFAOYSA-N -1 3 326.356 3.171 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCCOc3ccccc3)n[n-]2)o1 ZINC000160169440 455434143 /nfs/dbraw/zinc/43/41/43/455434143.db2.gz XPCIWURHMVODJP-UHFFFAOYSA-N -1 3 326.356 3.171 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)OC3CCCCCC3)[n-]2)o1 ZINC000160188630 455436377 /nfs/dbraw/zinc/43/63/77/455436377.db2.gz UYMAFAIXNNVWCR-GFCCVEGCSA-N -1 3 332.404 3.440 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)OC3CCCCCC3)n2)o1 ZINC000160188630 455436382 /nfs/dbraw/zinc/43/63/82/455436382.db2.gz UYMAFAIXNNVWCR-GFCCVEGCSA-N -1 3 332.404 3.440 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)OC3CCCCCC3)n[n-]2)o1 ZINC000160188630 455436384 /nfs/dbraw/zinc/43/63/84/455436384.db2.gz UYMAFAIXNNVWCR-GFCCVEGCSA-N -1 3 332.404 3.440 20 70 EGIDHM CCCOc1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160218896 455439842 /nfs/dbraw/zinc/43/98/42/455439842.db2.gz BRYYQWQIOWUVTM-UHFFFAOYSA-N -1 3 326.356 3.414 20 70 EGIDHM CCCOc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160218896 455439845 /nfs/dbraw/zinc/43/98/45/455439845.db2.gz BRYYQWQIOWUVTM-UHFFFAOYSA-N -1 3 326.356 3.414 20 70 EGIDHM CCCOc1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160218896 455439848 /nfs/dbraw/zinc/43/98/48/455439848.db2.gz BRYYQWQIOWUVTM-UHFFFAOYSA-N -1 3 326.356 3.414 20 70 EGIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cc2ccccc2o1 ZINC000160696532 455489065 /nfs/dbraw/zinc/48/90/65/455489065.db2.gz GUEZGYULLMJYBJ-UHFFFAOYSA-N -1 3 337.347 3.331 20 70 EGIDHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc2c(c1)NC(=O)CS2 ZINC000161086997 455531919 /nfs/dbraw/zinc/53/19/19/455531919.db2.gz DGQBXVVCRGCBFF-UHFFFAOYSA-N -1 3 348.811 3.271 20 70 EGIDHM O=C(NC1CC1)[C@@H](Cc1ccccc1)[N-]c1nc2cc(F)ccc2o1 ZINC000161320495 455559301 /nfs/dbraw/zinc/55/93/01/455559301.db2.gz UJVSKWNDGKSJAK-MRXNPFEDSA-N -1 3 339.370 3.269 20 70 EGIDHM Cc1cccnc1[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000160112545 206280764 /nfs/dbraw/zinc/28/07/64/206280764.db2.gz CLRXPZNCRNLXNK-MRXNPFEDSA-N -1 3 331.391 3.431 20 70 EGIDHM COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc(OC)c1[O-] ZINC000161073162 206326672 /nfs/dbraw/zinc/32/66/72/206326672.db2.gz JADHHPWZLOSGPE-UHFFFAOYSA-N -1 3 345.370 3.353 20 70 EGIDHM COc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(OC)c1[O-] ZINC000161316893 206340504 /nfs/dbraw/zinc/34/05/04/206340504.db2.gz SEZOQFJWWVKUIF-UHFFFAOYSA-N -1 3 342.395 3.262 20 70 EGIDHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1 ZINC000217462532 266194304 /nfs/dbraw/zinc/19/43/04/266194304.db2.gz LWBXAUKVEAHPLB-VIFPVBQESA-N -1 3 336.185 3.351 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)[n-]2)o1 ZINC000160293097 455445017 /nfs/dbraw/zinc/44/50/17/455445017.db2.gz KQYAQSMAGPISGH-VXGBXAGGSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)n2)o1 ZINC000160293097 455445021 /nfs/dbraw/zinc/44/50/21/455445021.db2.gz KQYAQSMAGPISGH-VXGBXAGGSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3F)n[n-]2)o1 ZINC000160293097 455445024 /nfs/dbraw/zinc/44/50/24/455445024.db2.gz KQYAQSMAGPISGH-VXGBXAGGSA-N -1 3 344.321 3.394 20 70 EGIDHM COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000160363307 206293349 /nfs/dbraw/zinc/29/33/49/206293349.db2.gz HLYVJMTWVBKASS-OAHLLOKOSA-N -1 3 327.380 3.217 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3csc(C(C)(C)C)n3)[n-]2)o1 ZINC000160371524 206292787 /nfs/dbraw/zinc/29/27/87/206292787.db2.gz YIXSSERUSFGYCJ-UHFFFAOYSA-N -1 3 345.428 3.308 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3csc(C(C)(C)C)n3)n2)o1 ZINC000160371524 206292793 /nfs/dbraw/zinc/29/27/93/206292793.db2.gz YIXSSERUSFGYCJ-UHFFFAOYSA-N -1 3 345.428 3.308 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3csc(C(C)(C)C)n3)n[n-]2)o1 ZINC000160371524 206292796 /nfs/dbraw/zinc/29/27/96/206292796.db2.gz YIXSSERUSFGYCJ-UHFFFAOYSA-N -1 3 345.428 3.308 20 70 EGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(F)c(Br)c1 ZINC000161390420 206346588 /nfs/dbraw/zinc/34/65/88/206346588.db2.gz VDWBYRRHBWJRHD-LLVKDONJSA-N -1 3 333.157 3.168 20 70 EGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(F)c(Br)c1 ZINC000161390420 206346592 /nfs/dbraw/zinc/34/65/92/206346592.db2.gz VDWBYRRHBWJRHD-LLVKDONJSA-N -1 3 333.157 3.168 20 70 EGIDHM COc1cc(C(=O)NCC(C)(C)c2ccccc2)cc(OC)c1[O-] ZINC000161478864 307903335 /nfs/dbraw/zinc/90/33/35/307903335.db2.gz JJDGWPOSMRAJKX-UHFFFAOYSA-N -1 3 329.396 3.117 20 70 EGIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1CC ZINC000160101376 455428606 /nfs/dbraw/zinc/42/86/06/455428606.db2.gz MFJWAYOWLORLAU-UHFFFAOYSA-N -1 3 346.452 3.020 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)CCOc3ccccc3)[n-]2)o1 ZINC000160206460 455438687 /nfs/dbraw/zinc/43/86/87/455438687.db2.gz QKSRHPAPOBIKEZ-LBPRGKRZSA-N -1 3 340.383 3.417 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)CCOc3ccccc3)n2)o1 ZINC000160206460 455438692 /nfs/dbraw/zinc/43/86/92/455438692.db2.gz QKSRHPAPOBIKEZ-LBPRGKRZSA-N -1 3 340.383 3.417 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)CCOc3ccccc3)n[n-]2)o1 ZINC000160206460 455438696 /nfs/dbraw/zinc/43/86/96/455438696.db2.gz QKSRHPAPOBIKEZ-LBPRGKRZSA-N -1 3 340.383 3.417 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(Br)c3)[n-]2)o1 ZINC000160186099 455435997 /nfs/dbraw/zinc/43/59/97/455435997.db2.gz WTLPCCHEIXPDEV-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(Br)c3)n2)o1 ZINC000160186099 455436001 /nfs/dbraw/zinc/43/60/01/455436001.db2.gz WTLPCCHEIXPDEV-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)n[n-]2)o1 ZINC000160186099 455436004 /nfs/dbraw/zinc/43/60/04/455436004.db2.gz WTLPCCHEIXPDEV-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000160459093 455461100 /nfs/dbraw/zinc/46/11/00/455461100.db2.gz IEIHIPQAWVSHPJ-LBPRGKRZSA-N -1 3 333.815 3.383 20 70 EGIDHM CCc1cc(=O)[n-]c(CN2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000160531098 455470723 /nfs/dbraw/zinc/47/07/23/455470723.db2.gz DVQWZMVWYXLZQK-UHFFFAOYSA-N -1 3 338.411 3.265 20 70 EGIDHM COc1cc(C(=O)NCC(C)(C)Cc2ccccc2)cc(OC)c1[O-] ZINC000160905162 455511469 /nfs/dbraw/zinc/51/14/69/455511469.db2.gz ZAJDEUOMBXWNKG-UHFFFAOYSA-N -1 3 343.423 3.408 20 70 EGIDHM 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C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1F ZINC000160500223 206300850 /nfs/dbraw/zinc/30/08/50/206300850.db2.gz LEJMSJUPEDZDBF-ZCFIWIBFSA-N -1 3 334.248 3.234 20 70 EGIDHM Cc1noc([N-]C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)n1 ZINC000161249757 206338056 /nfs/dbraw/zinc/33/80/56/206338056.db2.gz VRDISCNQTGTBNL-UHFFFAOYSA-N -1 3 336.779 3.268 20 70 EGIDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c(F)cc1F ZINC000160162657 264869049 /nfs/dbraw/zinc/86/90/49/264869049.db2.gz QFJWVKVKIJMKBZ-JTQLQIEISA-N -1 3 327.352 3.018 20 70 EGIDHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160345705 455449934 /nfs/dbraw/zinc/44/99/34/455449934.db2.gz DBKJWOIRKBJCLE-CJNGLKHVSA-N -1 3 338.423 3.172 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CSc4ccccc43)[n-]2)o1 ZINC000160189999 455436769 /nfs/dbraw/zinc/43/67/69/455436769.db2.gz AELOMVZBDGYFGF-LLVKDONJSA-N -1 3 326.381 3.201 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CSc4ccccc43)n2)o1 ZINC000160189999 455436770 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COc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000218525651 547240831 /nfs/dbraw/zinc/24/08/31/547240831.db2.gz ULEHIGGNWQNBSH-INIZCTEOSA-N -1 3 348.830 3.087 20 70 EGIDHM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1F ZINC000159806700 206263904 /nfs/dbraw/zinc/26/39/04/206263904.db2.gz AGLMCQDCLBQTQF-PBHICJAKSA-N -1 3 349.427 3.272 20 70 EGIDHM CCOCCOc1ccc(Cl)cc1NC([O-])=NOCC(C)C ZINC000160010902 206275328 /nfs/dbraw/zinc/27/53/28/206275328.db2.gz KGADRPOBKAKSIT-UHFFFAOYSA-N -1 3 330.812 3.464 20 70 EGIDHM CCOCCOc1ccc(Cl)cc1NC(=O)[N-]OCC(C)C ZINC000160010902 206275332 /nfs/dbraw/zinc/27/53/32/206275332.db2.gz KGADRPOBKAKSIT-UHFFFAOYSA-N -1 3 330.812 3.464 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2csc(Br)c2)n1 ZINC000161003770 206322870 /nfs/dbraw/zinc/32/28/70/206322870.db2.gz VPNGLSDRCTVUPN-UHFFFAOYSA-N -1 3 342.262 3.201 20 70 EGIDHM CC(C)CO[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000161264150 206338112 /nfs/dbraw/zinc/33/81/12/206338112.db2.gz XUWKUEJJQNJONW-UHFFFAOYSA-N -1 3 325.206 3.177 20 70 EGIDHM COc1nc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc2ccccc21 ZINC000160392781 278080953 /nfs/dbraw/zinc/08/09/53/278080953.db2.gz IMZIMCFQFJOAKT-UHFFFAOYSA-N -1 3 349.350 3.182 20 70 EGIDHM COc1nc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc2ccccc21 ZINC000160392781 278080956 /nfs/dbraw/zinc/08/09/56/278080956.db2.gz IMZIMCFQFJOAKT-UHFFFAOYSA-N -1 3 349.350 3.182 20 70 EGIDHM COc1nc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc2ccccc21 ZINC000160392781 278080957 /nfs/dbraw/zinc/08/09/57/278080957.db2.gz IMZIMCFQFJOAKT-UHFFFAOYSA-N -1 3 349.350 3.182 20 70 EGIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1CC ZINC000160040498 455424094 /nfs/dbraw/zinc/42/40/94/455424094.db2.gz IOAIPFIWJXHVQQ-UHFFFAOYSA-N -1 3 346.408 3.047 20 70 EGIDHM O=S(=O)([N-]CC1(C2CC2)CC1)c1ccc(F)cc1C(F)(F)F ZINC000160158393 455433180 /nfs/dbraw/zinc/43/31/80/455433180.db2.gz KLNWZAWNMVTUMD-UHFFFAOYSA-N -1 3 337.338 3.313 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)[n-]2)o1 ZINC000160272033 455443427 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CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000159370254 546937350 /nfs/dbraw/zinc/93/73/50/546937350.db2.gz WVAUEBBNZLFDRZ-UHFFFAOYSA-N -1 3 349.855 3.494 20 70 EGIDHM COc1cc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)ccc1F ZINC000159715878 455398355 /nfs/dbraw/zinc/39/83/55/455398355.db2.gz CXVNIPGZDPZJLG-UHFFFAOYSA-N -1 3 330.294 3.011 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCC(=O)c3cccs3)[n-]2)o1 ZINC000160327560 455448726 /nfs/dbraw/zinc/44/87/26/455448726.db2.gz YSGKEJZGLAHDBH-UHFFFAOYSA-N -1 3 330.369 3.036 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC(=O)c3cccs3)n2)o1 ZINC000160327560 455448730 /nfs/dbraw/zinc/44/87/30/455448730.db2.gz YSGKEJZGLAHDBH-UHFFFAOYSA-N -1 3 330.369 3.036 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCC(=O)c3cccs3)n[n-]2)o1 ZINC000160327560 455448738 /nfs/dbraw/zinc/44/87/38/455448738.db2.gz YSGKEJZGLAHDBH-UHFFFAOYSA-N -1 3 330.369 3.036 20 70 EGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccc(OC)cc2OC)n1 ZINC000160585371 455477374 /nfs/dbraw/zinc/47/73/74/455477374.db2.gz XKHWUFRRMVVUIQ-MRXNPFEDSA-N -1 3 343.427 3.099 20 70 EGIDHM O=C(/C=C/c1cccc(Br)c1)[N-]OCc1cccnc1 ZINC000160785075 455497884 /nfs/dbraw/zinc/49/78/84/455497884.db2.gz NFLMOEMYEBRUDO-VOTSOKGWSA-N -1 3 333.185 3.105 20 70 EGIDHM CCc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000160990252 455521321 /nfs/dbraw/zinc/52/13/21/455521321.db2.gz RSFJCODKWGOWPW-GFCCVEGCSA-N -1 3 329.396 3.463 20 70 EGIDHM COc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(OC)c1[O-] ZINC000161227692 455550203 /nfs/dbraw/zinc/55/02/03/455550203.db2.gz BRGPZYAKSSDHCC-UHFFFAOYSA-N -1 3 341.407 3.261 20 70 EGIDHM COc1cc(C(=O)NC[C@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000161355959 455562022 /nfs/dbraw/zinc/56/20/22/455562022.db2.gz NKZWXKDAZNGZFE-CQSZACIVSA-N -1 3 341.407 3.259 20 70 EGIDHM COc1cc(C(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1[O-] ZINC000160768589 455497395 /nfs/dbraw/zinc/49/73/95/455497395.db2.gz XNJOSAFYEMYTBR-CYBMUJFWSA-N -1 3 329.396 3.161 20 70 EGIDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000160831857 455503580 /nfs/dbraw/zinc/50/35/80/455503580.db2.gz AIWHKLRFTSKWQX-UHFFFAOYSA-N -1 3 337.372 3.112 20 70 EGIDHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cn1 ZINC000161069036 455529709 /nfs/dbraw/zinc/52/97/09/455529709.db2.gz CXAWWVSKYWIOIX-UHFFFAOYSA-N -1 3 326.805 3.243 20 70 EGIDHM COc1cc(C(=O)N(Cc2ccccc2)C2CC2)cc(OC)c1[O-] ZINC000161295014 455556557 /nfs/dbraw/zinc/55/65/57/455556557.db2.gz ZOMQXEDMGOEXJX-UHFFFAOYSA-N -1 3 327.380 3.214 20 70 EGIDHM Cc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000218456600 547240223 /nfs/dbraw/zinc/24/02/23/547240223.db2.gz DXIANHTVRYCADO-UHFFFAOYSA-N -1 3 346.814 3.443 20 70 EGIDHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000160832520 307895173 /nfs/dbraw/zinc/89/51/73/307895173.db2.gz TYNNWHAIQFJYTM-UHFFFAOYSA-N -1 3 337.372 3.112 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)[n-]2)o1 ZINC000160174825 455435346 /nfs/dbraw/zinc/43/53/46/455435346.db2.gz KMTNNWNVTUBEHX-ZJUUUORDSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)n2)o1 ZINC000160174825 455435350 /nfs/dbraw/zinc/43/53/50/455435350.db2.gz KMTNNWNVTUBEHX-ZJUUUORDSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)n[n-]2)o1 ZINC000160174825 455435355 /nfs/dbraw/zinc/43/53/55/455435355.db2.gz KMTNNWNVTUBEHX-ZJUUUORDSA-N -1 3 344.321 3.394 20 70 EGIDHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160345438 455449795 /nfs/dbraw/zinc/44/97/95/455449795.db2.gz DBKJWOIRKBJCLE-BBRMVZONSA-N -1 3 338.423 3.172 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Cc3cccc(F)c3)[n-]2)o1 ZINC000160387943 455453908 /nfs/dbraw/zinc/45/39/08/455453908.db2.gz TYSOBTJVUAXDPF-JTQLQIEISA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Cc3cccc(F)c3)n2)o1 ZINC000160387943 455453913 /nfs/dbraw/zinc/45/39/13/455453913.db2.gz TYSOBTJVUAXDPF-JTQLQIEISA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3cccc(F)c3)n[n-]2)o1 ZINC000160387943 455453916 /nfs/dbraw/zinc/45/39/16/455453916.db2.gz TYSOBTJVUAXDPF-JTQLQIEISA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1Br ZINC000160812576 455501990 /nfs/dbraw/zinc/50/19/90/455501990.db2.gz FCUIWXOBPOEINS-UHFFFAOYSA-N -1 3 349.110 3.147 20 70 EGIDHM Cc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1Br ZINC000160812576 455501992 /nfs/dbraw/zinc/50/19/92/455501992.db2.gz FCUIWXOBPOEINS-UHFFFAOYSA-N -1 3 349.110 3.147 20 70 EGIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCO[C@@H](c2ccsc2)C1 ZINC000160546633 455472726 /nfs/dbraw/zinc/47/27/26/455472726.db2.gz UTKKPWQGAHAWPZ-OAHLLOKOSA-N -1 3 337.828 3.250 20 70 EGIDHM Cc1noc(C)c1CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160648832 455484102 /nfs/dbraw/zinc/48/41/02/455484102.db2.gz VXOZGLPKAIDOAV-UHFFFAOYSA-N -1 3 342.317 3.491 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000161021026 455524294 /nfs/dbraw/zinc/52/42/94/455524294.db2.gz VJGBQEGIXIOBFE-UHFFFAOYSA-N -1 3 330.290 3.255 20 70 EGIDHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)Cc3ccsc3)c[n-]c12 ZINC000159602344 546939445 /nfs/dbraw/zinc/93/94/45/546939445.db2.gz KHVKICZWJMFVNY-UHFFFAOYSA-N -1 3 330.384 3.309 20 70 EGIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000160326110 307887898 /nfs/dbraw/zinc/88/78/98/307887898.db2.gz ABISWFKGTNAKOL-SECBINFHSA-N -1 3 345.770 3.062 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3csc(-c4ccoc4)n3)[n-]2)o1 ZINC000160232266 455440948 /nfs/dbraw/zinc/44/09/48/455440948.db2.gz HDUGAUFJLNMDSI-UHFFFAOYSA-N -1 3 341.352 3.342 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3cc(F)ccc3F)[n-]2)o1 ZINC000160281130 455444163 /nfs/dbraw/zinc/44/41/63/455444163.db2.gz CQGNEBHHULZQMR-UHFFFAOYSA-N -1 3 332.310 3.223 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3cc(F)ccc3F)n2)o1 ZINC000160281130 455444164 /nfs/dbraw/zinc/44/41/64/455444164.db2.gz CQGNEBHHULZQMR-UHFFFAOYSA-N -1 3 332.310 3.223 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCc3cc(F)ccc3F)n[n-]2)o1 ZINC000160281130 455444167 /nfs/dbraw/zinc/44/41/67/455444167.db2.gz CQGNEBHHULZQMR-UHFFFAOYSA-N -1 3 332.310 3.223 20 70 EGIDHM CCSc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cn1 ZINC000160334225 455448543 /nfs/dbraw/zinc/44/85/43/455448543.db2.gz KLIGBJLKZXDFDE-UHFFFAOYSA-N -1 3 329.385 3.132 20 70 EGIDHM CCSc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cn1 ZINC000160334225 455448549 /nfs/dbraw/zinc/44/85/49/455448549.db2.gz KLIGBJLKZXDFDE-UHFFFAOYSA-N -1 3 329.385 3.132 20 70 EGIDHM CCSc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cn1 ZINC000160334225 455448552 /nfs/dbraw/zinc/44/85/52/455448552.db2.gz KLIGBJLKZXDFDE-UHFFFAOYSA-N -1 3 329.385 3.132 20 70 EGIDHM CC(C)CO[N-]C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000159449808 528118178 /nfs/dbraw/zinc/11/81/78/528118178.db2.gz IZIGBNMGUXNFAK-UHFFFAOYSA-N -1 3 333.432 3.268 20 70 EGIDHM COC(=O)c1cccc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1 ZINC000159779749 455403983 /nfs/dbraw/zinc/40/39/83/455403983.db2.gz NEGCTMOEGVLHDT-CYBMUJFWSA-N -1 3 333.409 3.019 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2OC(F)(F)F)n1 ZINC000160660290 455485410 /nfs/dbraw/zinc/48/54/10/455485410.db2.gz UGLFCABULMVAED-UHFFFAOYSA-N -1 3 341.333 3.275 20 70 EGIDHM C[C@@H](Sc1ccccn1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000160620428 455481357 /nfs/dbraw/zinc/48/13/57/455481357.db2.gz CZUVVYLWMWJWQV-SNVBAGLBSA-N -1 3 343.387 3.125 20 70 EGIDHM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1 ZINC000160987846 455521689 /nfs/dbraw/zinc/52/16/89/455521689.db2.gz OYAOPMRCZZJAFS-UHFFFAOYSA-N -1 3 337.269 3.491 20 70 EGIDHM CCc1ccc(CC(=O)Nc2n[n-]c(-c3ccccc3OC)n2)cc1 ZINC000161477913 455573817 /nfs/dbraw/zinc/57/38/17/455573817.db2.gz QFIWWIIYPINKQK-UHFFFAOYSA-N -1 3 336.395 3.224 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000159803150 140947078 /nfs/dbraw/zinc/94/70/78/140947078.db2.gz UZBKGRDZENZRIW-UHFFFAOYSA-N -1 3 329.249 3.360 20 70 EGIDHM COc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc(OC)c1[O-] ZINC000161240045 152772368 /nfs/dbraw/zinc/77/23/68/152772368.db2.gz RWUUQQDRUCLTQF-MRXNPFEDSA-N -1 3 341.407 3.257 20 70 EGIDHM COc1ccc([O-])c(C(=O)NCCCCOc2ccc(F)cc2)c1 ZINC000218297130 266194867 /nfs/dbraw/zinc/19/48/67/266194867.db2.gz RVSKIXXCBQXLEC-UHFFFAOYSA-N -1 3 333.359 3.129 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Cc3ccccc3F)[n-]2)o1 ZINC000160175625 455434920 /nfs/dbraw/zinc/43/49/20/455434920.db2.gz HTWBNNXRJDKGSM-JTQLQIEISA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Cc3ccccc3F)n2)o1 ZINC000160175625 455434923 /nfs/dbraw/zinc/43/49/23/455434923.db2.gz HTWBNNXRJDKGSM-JTQLQIEISA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Cc3ccccc3F)n[n-]2)o1 ZINC000160175625 455434924 /nfs/dbraw/zinc/43/49/24/455434924.db2.gz HTWBNNXRJDKGSM-JTQLQIEISA-N -1 3 328.347 3.330 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cnc(C(C)(C)C)s3)[n-]2)o1 ZINC000160196403 455437817 /nfs/dbraw/zinc/43/78/17/455437817.db2.gz UPJJNHIRAITQEX-UHFFFAOYSA-N -1 3 331.401 3.379 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc(C(C)(C)C)s3)n2)o1 ZINC000160196403 455437821 /nfs/dbraw/zinc/43/78/21/455437821.db2.gz UPJJNHIRAITQEX-UHFFFAOYSA-N -1 3 331.401 3.379 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3OCCc4ccccc43)[n-]2)o1 ZINC000160442260 455459428 /nfs/dbraw/zinc/45/94/28/455459428.db2.gz HHOWKOPCSZHGGB-HNNXBMFYSA-N -1 3 338.367 3.016 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3OCCc4ccccc43)n2)o1 ZINC000160442260 455459433 /nfs/dbraw/zinc/45/94/33/455459433.db2.gz HHOWKOPCSZHGGB-HNNXBMFYSA-N -1 3 338.367 3.016 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3OCCc4ccccc43)n[n-]2)o1 ZINC000160442260 455459438 /nfs/dbraw/zinc/45/94/38/455459438.db2.gz HHOWKOPCSZHGGB-HNNXBMFYSA-N -1 3 338.367 3.016 20 70 EGIDHM COc1ccc(C(=O)NCc2csc(-c3ccco3)n2)c([O-])c1 ZINC000160523075 455469690 /nfs/dbraw/zinc/46/96/90/455469690.db2.gz WQYHYKGOXFXZCK-UHFFFAOYSA-N -1 3 330.365 3.047 20 70 EGIDHM Cc1cccc([C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccn2)c1 ZINC000159780736 455403543 /nfs/dbraw/zinc/40/35/43/455403543.db2.gz RZROWVARQUEZTB-LJQANCHMSA-N -1 3 343.390 3.181 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)[n-]2)o1 ZINC000160174750 455434846 /nfs/dbraw/zinc/43/48/46/455434846.db2.gz KMTNNWNVTUBEHX-NXEZZACHSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)n2)o1 ZINC000160174750 455434848 /nfs/dbraw/zinc/43/48/48/455434848.db2.gz KMTNNWNVTUBEHX-NXEZZACHSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)n[n-]2)o1 ZINC000160174750 455434853 /nfs/dbraw/zinc/43/48/53/455434853.db2.gz KMTNNWNVTUBEHX-NXEZZACHSA-N -1 3 344.321 3.394 20 70 EGIDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160345834 455449699 /nfs/dbraw/zinc/44/96/99/455449699.db2.gz DBKJWOIRKBJCLE-CZUORRHYSA-N -1 3 338.423 3.172 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)[n-]2)o1 ZINC000160411247 455456030 /nfs/dbraw/zinc/45/60/30/455456030.db2.gz TVPOMIGUTZANHP-SECBINFHSA-N -1 3 348.309 3.057 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)n2)o1 ZINC000160411247 455456033 /nfs/dbraw/zinc/45/60/33/455456033.db2.gz TVPOMIGUTZANHP-SECBINFHSA-N -1 3 348.309 3.057 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)n[n-]2)o1 ZINC000160411247 455456037 /nfs/dbraw/zinc/45/60/37/455456037.db2.gz TVPOMIGUTZANHP-SECBINFHSA-N -1 3 348.309 3.057 20 70 EGIDHM COc1cc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc(OC)c1[O-] ZINC000161465097 455572757 /nfs/dbraw/zinc/57/27/57/455572757.db2.gz UGWFDEVTOZMXTG-TWGQIWQCSA-N -1 3 344.392 3.268 20 70 EGIDHM Cc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1[O-] ZINC000218456496 266194980 /nfs/dbraw/zinc/19/49/80/266194980.db2.gz NKJIEGBWKOOSDL-UHFFFAOYSA-N -1 3 346.814 3.443 20 70 EGIDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)cc1F ZINC000160172556 455433783 /nfs/dbraw/zinc/43/37/83/455433783.db2.gz CKNPYDFDYAUQNS-SNVBAGLBSA-N -1 3 327.352 3.018 20 70 EGIDHM COc1ccc(CCCC(=O)NCc2ccc([O-])c(F)c2)c(OC)c1 ZINC000160735018 455493357 /nfs/dbraw/zinc/49/33/57/455493357.db2.gz FZPKBXHFWSUAQK-UHFFFAOYSA-N -1 3 347.386 3.188 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)[n-]2)o1 ZINC000160191282 455436814 /nfs/dbraw/zinc/43/68/14/455436814.db2.gz ZQKKDFOCCKCVFK-GHMZBOCLSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)n2)o1 ZINC000160191282 455436815 /nfs/dbraw/zinc/43/68/15/455436815.db2.gz ZQKKDFOCCKCVFK-GHMZBOCLSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)n[n-]2)o1 ZINC000160191282 455436818 /nfs/dbraw/zinc/43/68/18/455436818.db2.gz ZQKKDFOCCKCVFK-GHMZBOCLSA-N -1 3 344.321 3.394 20 70 EGIDHM COc1cccc2c1CC[C@H]2NC(=O)Cc1ccc([O-])cc1Cl ZINC000161369730 455563556 /nfs/dbraw/zinc/56/35/56/455563556.db2.gz CNWOSPDRLHAVCF-MRXNPFEDSA-N -1 3 331.799 3.400 20 70 EGIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000160826648 140965584 /nfs/dbraw/zinc/96/55/84/140965584.db2.gz XWEJXDOPWAUYHE-UHFFFAOYSA-N -1 3 348.399 3.062 20 70 EGIDHM C[C@H](CSCc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000159596489 225247352 /nfs/dbraw/zinc/24/73/52/225247352.db2.gz MYXGOUHRSPVSOL-SECBINFHSA-N -1 3 344.362 3.332 20 70 EGIDHM C[C@H](CSCc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000159596489 225247356 /nfs/dbraw/zinc/24/73/56/225247356.db2.gz MYXGOUHRSPVSOL-SECBINFHSA-N -1 3 344.362 3.332 20 70 EGIDHM COc1ccc([C@@H](NC(=O)c2cc(OC)ccc2[O-])C2CC2)cc1 ZINC000217064630 266194918 /nfs/dbraw/zinc/19/49/18/266194918.db2.gz DEWFIKAGEXOPDS-SFHVURJKSA-N -1 3 327.380 3.291 20 70 EGIDHM CCc1cc(=O)[n-]c(CN2CCn3cccc3[C@@H]2c2ccccc2)n1 ZINC000160767023 455496652 /nfs/dbraw/zinc/49/66/52/455496652.db2.gz WBEVNSZSXZABMJ-FQEVSTJZSA-N -1 3 334.423 3.151 20 70 EGIDHM CCc1ncsc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000160307129 455446006 /nfs/dbraw/zinc/44/60/06/455446006.db2.gz KGNPFDNSJJAEHT-UHFFFAOYSA-N -1 3 333.804 3.396 20 70 EGIDHM CCCCCN(C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(C)C ZINC000160752757 455495154 /nfs/dbraw/zinc/49/51/54/455495154.db2.gz OCODBAKSHPDMLB-UHFFFAOYSA-N -1 3 344.452 3.238 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCC(=O)c3ccc(C)s3)[n-]2)o1 ZINC000160237872 534225303 /nfs/dbraw/zinc/22/53/03/534225303.db2.gz MPGAMBQPENZMTQ-UHFFFAOYSA-N -1 3 344.396 3.345 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC(=O)c3ccc(C)s3)n2)o1 ZINC000160237872 534225307 /nfs/dbraw/zinc/22/53/07/534225307.db2.gz MPGAMBQPENZMTQ-UHFFFAOYSA-N -1 3 344.396 3.345 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)s3)n[n-]2)o1 ZINC000160237872 534225313 /nfs/dbraw/zinc/22/53/13/534225313.db2.gz MPGAMBQPENZMTQ-UHFFFAOYSA-N -1 3 344.396 3.345 20 70 EGIDHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1F ZINC000159806571 225281621 /nfs/dbraw/zinc/28/16/21/225281621.db2.gz AGLMCQDCLBQTQF-RHSMWYFYSA-N -1 3 349.427 3.272 20 70 EGIDHM CC(C)Oc1cncc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1 ZINC000160191445 455436155 /nfs/dbraw/zinc/43/61/55/455436155.db2.gz KPMPVUBFEAXIAA-UHFFFAOYSA-N -1 3 341.396 3.035 20 70 EGIDHM Cc1ccc(OCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)c1 ZINC000160807301 455500565 /nfs/dbraw/zinc/50/05/65/455500565.db2.gz WOOSDTMPNUDMII-UHFFFAOYSA-N -1 3 342.321 3.238 20 70 EGIDHM Cc1ccc(OCCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)c1 ZINC000160807301 455500568 /nfs/dbraw/zinc/50/05/68/455500568.db2.gz WOOSDTMPNUDMII-UHFFFAOYSA-N -1 3 342.321 3.238 20 70 EGIDHM COc1cc(C(=O)N(Cc2ccccc2F)C2CC2)cc(OC)c1[O-] ZINC000161190963 455547051 /nfs/dbraw/zinc/54/70/51/455547051.db2.gz HBKBYHMGWGVPTJ-UHFFFAOYSA-N -1 3 345.370 3.353 20 70 EGIDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000160210764 527284092 /nfs/dbraw/zinc/28/40/92/527284092.db2.gz LFEZFPXXJNQGRA-UHFFFAOYSA-N -1 3 327.833 3.011 20 70 EGIDHM O=S(=O)([N-][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccs1 ZINC000159848147 225290722 /nfs/dbraw/zinc/29/07/22/225290722.db2.gz FQCCJMZKWUPBLN-UKRRQHHQSA-N -1 3 337.466 3.194 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)[n-]2)o1 ZINC000160174613 455435057 /nfs/dbraw/zinc/43/50/57/455435057.db2.gz KMTNNWNVTUBEHX-UWVGGRQHSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)n2)o1 ZINC000160174613 455435061 /nfs/dbraw/zinc/43/50/61/455435061.db2.gz KMTNNWNVTUBEHX-UWVGGRQHSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)n[n-]2)o1 ZINC000160174613 455435065 /nfs/dbraw/zinc/43/50/65/455435065.db2.gz KMTNNWNVTUBEHX-UWVGGRQHSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)CCOc3ccccc3)[n-]2)o1 ZINC000160206609 455438919 /nfs/dbraw/zinc/43/89/19/455438919.db2.gz QKSRHPAPOBIKEZ-GFCCVEGCSA-N -1 3 340.383 3.417 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)CCOc3ccccc3)n2)o1 ZINC000160206609 455438922 /nfs/dbraw/zinc/43/89/22/455438922.db2.gz QKSRHPAPOBIKEZ-GFCCVEGCSA-N -1 3 340.383 3.417 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)CCOc3ccccc3)n[n-]2)o1 ZINC000160206609 455438924 /nfs/dbraw/zinc/43/89/24/455438924.db2.gz QKSRHPAPOBIKEZ-GFCCVEGCSA-N -1 3 340.383 3.417 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCc3cn(C)c4ccccc34)[n-]2)o1 ZINC000160347921 455449715 /nfs/dbraw/zinc/44/97/15/455449715.db2.gz FKKALJBDFHIKDT-UHFFFAOYSA-N -1 3 349.394 3.436 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3cn(C)c4ccccc34)n2)o1 ZINC000160347921 455449718 /nfs/dbraw/zinc/44/97/18/455449718.db2.gz FKKALJBDFHIKDT-UHFFFAOYSA-N -1 3 349.394 3.436 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCc3cn(C)c4ccccc34)n[n-]2)o1 ZINC000160347921 455449725 /nfs/dbraw/zinc/44/97/25/455449725.db2.gz FKKALJBDFHIKDT-UHFFFAOYSA-N -1 3 349.394 3.436 20 70 EGIDHM COc1cccc([C@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160195972 455437742 /nfs/dbraw/zinc/43/77/42/455437742.db2.gz DIBKLHBRWODGKQ-NSHDSACASA-N -1 3 326.356 3.124 20 70 EGIDHM COc1cccc([C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160195972 455437744 /nfs/dbraw/zinc/43/77/44/455437744.db2.gz DIBKLHBRWODGKQ-NSHDSACASA-N -1 3 326.356 3.124 20 70 EGIDHM COc1cccc([C@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160195972 455437746 /nfs/dbraw/zinc/43/77/46/455437746.db2.gz DIBKLHBRWODGKQ-NSHDSACASA-N -1 3 326.356 3.124 20 70 EGIDHM COc1ccccc1-c1nc([N-]C(=O)c2cnc(C(C)C)s2)n[nH]1 ZINC000159602478 533925922 /nfs/dbraw/zinc/92/59/22/533925922.db2.gz SIJKVAWOVWDHPK-UHFFFAOYSA-N -1 3 343.412 3.313 20 70 EGIDHM CC(C)CO[N-]C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000159516043 528118140 /nfs/dbraw/zinc/11/81/40/528118140.db2.gz FGKDZMZRSXKCLA-UHFFFAOYSA-N -1 3 333.432 3.458 20 70 EGIDHM CCCCn1c(=O)[n-]nc1SCc1noc(C2CCCCC2)n1 ZINC000159367085 529066742 /nfs/dbraw/zinc/06/67/42/529066742.db2.gz BBNVDSFTADKNRX-UHFFFAOYSA-N -1 3 337.449 3.095 20 70 EGIDHM O=S(=O)([N-][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1F ZINC000159806442 225282155 /nfs/dbraw/zinc/28/21/55/225282155.db2.gz AGLMCQDCLBQTQF-YOEHRIQHSA-N -1 3 349.427 3.272 20 70 EGIDHM COc1cc(Cl)ccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000159415816 307873514 /nfs/dbraw/zinc/87/35/14/307873514.db2.gz ARGCTJWMTMTPGY-UHFFFAOYSA-N -1 3 338.766 3.193 20 70 EGIDHM COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)cc(OC)c1[O-] ZINC000160768483 455497179 /nfs/dbraw/zinc/49/71/79/455497179.db2.gz XNJOSAFYEMYTBR-ZDUSSCGKSA-N -1 3 329.396 3.161 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3C)[n-]2)o1 ZINC000160185401 455436453 /nfs/dbraw/zinc/43/64/53/455436453.db2.gz SJZSKEJJIMPXRV-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc(C)cc3C)n2)o1 ZINC000160185401 455436454 /nfs/dbraw/zinc/43/64/54/455436454.db2.gz SJZSKEJJIMPXRV-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)COc3ccc(C)cc3C)n[n-]2)o1 ZINC000160185401 455436460 /nfs/dbraw/zinc/43/64/60/455436460.db2.gz SJZSKEJJIMPXRV-UHFFFAOYSA-N -1 3 326.356 3.007 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4cc(F)ccc4[nH]3)[n-]2)o1 ZINC000160286701 455445131 /nfs/dbraw/zinc/44/51/31/455445131.db2.gz PONXWNDGZUIMID-UHFFFAOYSA-N -1 3 325.303 3.246 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)o1 ZINC000160286701 455445132 /nfs/dbraw/zinc/44/51/32/455445132.db2.gz PONXWNDGZUIMID-UHFFFAOYSA-N -1 3 325.303 3.246 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cc4cc(F)ccc4[nH]3)n[n-]2)o1 ZINC000160286701 455445136 /nfs/dbraw/zinc/44/51/36/455445136.db2.gz PONXWNDGZUIMID-UHFFFAOYSA-N -1 3 325.303 3.246 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)[n-]2)o1 ZINC000160327982 455448815 /nfs/dbraw/zinc/44/88/15/455448815.db2.gz RXNKTXRRILHOSV-UHFFFAOYSA-N -1 3 332.747 3.044 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc(Cl)cc3)n2)o1 ZINC000160327982 455448818 /nfs/dbraw/zinc/44/88/18/455448818.db2.gz RXNKTXRRILHOSV-UHFFFAOYSA-N -1 3 332.747 3.044 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3)n[n-]2)o1 ZINC000160327982 455448822 /nfs/dbraw/zinc/44/88/22/455448822.db2.gz RXNKTXRRILHOSV-UHFFFAOYSA-N -1 3 332.747 3.044 20 70 EGIDHM COc1ccc(SCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160359493 455451041 /nfs/dbraw/zinc/45/10/41/455451041.db2.gz JPKKRYQKZZRWAE-UHFFFAOYSA-N -1 3 344.396 3.113 20 70 EGIDHM COc1ccc(SCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160359493 455451044 /nfs/dbraw/zinc/45/10/44/455451044.db2.gz JPKKRYQKZZRWAE-UHFFFAOYSA-N -1 3 344.396 3.113 20 70 EGIDHM COc1ccc(SCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160359493 455451047 /nfs/dbraw/zinc/45/10/47/455451047.db2.gz JPKKRYQKZZRWAE-UHFFFAOYSA-N -1 3 344.396 3.113 20 70 EGIDHM CC(C)CNC(=O)c1ccc(NC(=O)[N-]OCC(C)C)cc1Cl ZINC000159382136 528060984 /nfs/dbraw/zinc/06/09/84/528060984.db2.gz AUEFFPYNUVZRAP-UHFFFAOYSA-N -1 3 341.839 3.435 20 70 EGIDHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1 ZINC000217462462 266194145 /nfs/dbraw/zinc/19/41/45/266194145.db2.gz LWBXAUKVEAHPLB-SECBINFHSA-N -1 3 336.185 3.351 20 70 EGIDHM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000160646969 455484456 /nfs/dbraw/zinc/48/44/56/455484456.db2.gz PXDNHHMQFAATON-GOSISDBHSA-N -1 3 348.402 3.164 20 70 EGIDHM COc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)cc(OC)c1[O-] ZINC000161351023 455561847 /nfs/dbraw/zinc/56/18/47/455561847.db2.gz UMPDIIBUSNGVNK-QGZVFWFLSA-N -1 3 327.380 3.291 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)OC3CCCCCC3)[n-]2)o1 ZINC000160188758 455435928 /nfs/dbraw/zinc/43/59/28/455435928.db2.gz UYMAFAIXNNVWCR-LBPRGKRZSA-N -1 3 332.404 3.440 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)OC3CCCCCC3)n2)o1 ZINC000160188758 455435932 /nfs/dbraw/zinc/43/59/32/455435932.db2.gz UYMAFAIXNNVWCR-LBPRGKRZSA-N -1 3 332.404 3.440 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)OC3CCCCCC3)n[n-]2)o1 ZINC000160188758 455435934 /nfs/dbraw/zinc/43/59/34/455435934.db2.gz UYMAFAIXNNVWCR-LBPRGKRZSA-N -1 3 332.404 3.440 20 70 EGIDHM COc1cc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc(OC)c1[O-] ZINC000159775561 277369916 /nfs/dbraw/zinc/36/99/16/277369916.db2.gz NKHGZWFFNZZBET-CZUORRHYSA-N -1 3 341.407 3.428 20 70 EGIDHM C[C@@]1(c2ccccc2)CN(C(=O)Cc2ccc([O-])cc2Cl)CCO1 ZINC000161319207 307901621 /nfs/dbraw/zinc/90/16/21/307901621.db2.gz BSNGVFHUMJMSNH-IBGZPJMESA-N -1 3 345.826 3.362 20 70 EGIDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c1 ZINC000160152245 455433232 /nfs/dbraw/zinc/43/32/32/455433232.db2.gz PBFQKHUJJDXUPP-SNVBAGLBSA-N -1 3 341.816 3.094 20 70 EGIDHM COc1cccc([C@@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160196107 455437344 /nfs/dbraw/zinc/43/73/44/455437344.db2.gz DIBKLHBRWODGKQ-LLVKDONJSA-N -1 3 326.356 3.124 20 70 EGIDHM COc1cccc([C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160196107 455437349 /nfs/dbraw/zinc/43/73/49/455437349.db2.gz DIBKLHBRWODGKQ-LLVKDONJSA-N -1 3 326.356 3.124 20 70 EGIDHM COc1cccc([C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160196107 455437354 /nfs/dbraw/zinc/43/73/54/455437354.db2.gz DIBKLHBRWODGKQ-LLVKDONJSA-N -1 3 326.356 3.124 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccccc3Br)[n-]2)o1 ZINC000160289574 455445147 /nfs/dbraw/zinc/44/51/47/455445147.db2.gz OBSRLKGANVGWPD-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccccc3Br)n2)o1 ZINC000160289574 455445151 /nfs/dbraw/zinc/44/51/51/455445151.db2.gz OBSRLKGANVGWPD-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3ccccc3Br)n[n-]2)o1 ZINC000160289574 455445152 /nfs/dbraw/zinc/44/51/52/455445152.db2.gz OBSRLKGANVGWPD-UHFFFAOYSA-N -1 3 347.172 3.388 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2cc(Br)cs2)n1 ZINC000160864130 455506741 /nfs/dbraw/zinc/50/67/41/455506741.db2.gz NZFIFXJTRRGCBY-UHFFFAOYSA-N -1 3 342.262 3.201 20 70 EGIDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c(C)o1 ZINC000161076160 455530887 /nfs/dbraw/zinc/53/08/87/455530887.db2.gz CEMMQIBDNYLQDL-UHFFFAOYSA-N -1 3 343.788 3.137 20 70 EGIDHM COc1ccc([O-])c(C(=O)Nc2nc3c(cccc3OC)s2)c1 ZINC000217809772 456033418 /nfs/dbraw/zinc/03/34/18/456033418.db2.gz AXBRVSVQPHENQQ-UHFFFAOYSA-N -1 3 330.365 3.271 20 70 EGIDHM O=S(=O)([N-][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccs1 ZINC000159848304 225290679 /nfs/dbraw/zinc/29/06/79/225290679.db2.gz FQCCJMZKWUPBLN-HIFRSBDPSA-N -1 3 337.466 3.194 20 70 EGIDHM O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(O)cc1[O-] ZINC000217425389 266194645 /nfs/dbraw/zinc/19/46/45/266194645.db2.gz PACIBKFMOYAJDO-UHFFFAOYSA-N -1 3 326.179 3.377 20 70 EGIDHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)c1 ZINC000160434029 307889772 /nfs/dbraw/zinc/88/97/72/307889772.db2.gz UHUBXHXKYHEROF-UHFFFAOYSA-N -1 3 339.351 3.477 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000160754784 455496015 /nfs/dbraw/zinc/49/60/15/455496015.db2.gz KRZKXENBJYZSKF-UHFFFAOYSA-N -1 3 341.333 3.275 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CSc4ccccc43)[n-]2)o1 ZINC000160190141 455436549 /nfs/dbraw/zinc/43/65/49/455436549.db2.gz AELOMVZBDGYFGF-NSHDSACASA-N -1 3 326.381 3.201 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CSc4ccccc43)n2)o1 ZINC000160190141 455436553 /nfs/dbraw/zinc/43/65/53/455436553.db2.gz AELOMVZBDGYFGF-NSHDSACASA-N -1 3 326.381 3.201 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CSc4ccccc43)n[n-]2)o1 ZINC000160190141 455436559 /nfs/dbraw/zinc/43/65/59/455436559.db2.gz AELOMVZBDGYFGF-NSHDSACASA-N -1 3 326.381 3.201 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCCOCc3ccccc3)[n-]2)o1 ZINC000160375186 455451753 /nfs/dbraw/zinc/45/17/53/455451753.db2.gz KOTZYJUZVOPUEN-UHFFFAOYSA-N -1 3 340.383 3.309 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCOCc3ccccc3)n2)o1 ZINC000160375186 455451755 /nfs/dbraw/zinc/45/17/55/455451755.db2.gz KOTZYJUZVOPUEN-UHFFFAOYSA-N -1 3 340.383 3.309 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCCOCc3ccccc3)n[n-]2)o1 ZINC000160375186 455451760 /nfs/dbraw/zinc/45/17/60/455451760.db2.gz KOTZYJUZVOPUEN-UHFFFAOYSA-N -1 3 340.383 3.309 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)[n-]2)o1 ZINC000160411391 455456349 /nfs/dbraw/zinc/45/63/49/455456349.db2.gz TVPOMIGUTZANHP-VIFPVBQESA-N -1 3 348.309 3.057 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)n2)o1 ZINC000160411391 455456355 /nfs/dbraw/zinc/45/63/55/455456355.db2.gz TVPOMIGUTZANHP-VIFPVBQESA-N -1 3 348.309 3.057 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)n[n-]2)o1 ZINC000160411391 455456361 /nfs/dbraw/zinc/45/63/61/455456361.db2.gz TVPOMIGUTZANHP-VIFPVBQESA-N -1 3 348.309 3.057 20 70 EGIDHM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000160646845 455483665 /nfs/dbraw/zinc/48/36/65/455483665.db2.gz PXDNHHMQFAATON-SFHVURJKSA-N -1 3 348.402 3.164 20 70 EGIDHM Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)[N-]OCc1cccnc1 ZINC000160762646 534861295 /nfs/dbraw/zinc/86/12/95/534861295.db2.gz XTTSOVVBROJRJF-VOTSOKGWSA-N -1 3 348.834 3.157 20 70 EGIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000159360949 546937150 /nfs/dbraw/zinc/93/71/50/546937150.db2.gz KBGRASRLBAPJBJ-UHFFFAOYSA-N -1 3 349.855 3.494 20 70 EGIDHM COc1cc(/C=C/C(=O)[N-]OCc2cccnc2)cc(Cl)c1OC ZINC000160751305 307894514 /nfs/dbraw/zinc/89/45/14/307894514.db2.gz KIFQVMVINFFRAW-AATRIKPKSA-N -1 3 348.786 3.013 20 70 EGIDHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccnn1Cc1ccccc1 ZINC000160566448 455474790 /nfs/dbraw/zinc/47/47/90/455474790.db2.gz UBUACAKFEQZZEA-UHFFFAOYSA-N -1 3 341.798 3.472 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)CCCOc3ccccc3F)[n-]2)o1 ZINC000160195577 455437094 /nfs/dbraw/zinc/43/70/94/455437094.db2.gz CPBZMORXXSPMFW-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCOc3ccccc3F)n2)o1 ZINC000160195577 455437099 /nfs/dbraw/zinc/43/70/99/455437099.db2.gz CPBZMORXXSPMFW-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)CCCOc3ccccc3F)n[n-]2)o1 ZINC000160195577 455437105 /nfs/dbraw/zinc/43/71/05/455437105.db2.gz CPBZMORXXSPMFW-UHFFFAOYSA-N -1 3 344.346 3.310 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3OCCc4ccccc43)[n-]2)o1 ZINC000160442140 455458753 /nfs/dbraw/zinc/45/87/53/455458753.db2.gz HHOWKOPCSZHGGB-OAHLLOKOSA-N -1 3 338.367 3.016 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3OCCc4ccccc43)n2)o1 ZINC000160442140 455458761 /nfs/dbraw/zinc/45/87/61/455458761.db2.gz HHOWKOPCSZHGGB-OAHLLOKOSA-N -1 3 338.367 3.016 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)C[C@H]3OCCc4ccccc43)n[n-]2)o1 ZINC000160442140 455458767 /nfs/dbraw/zinc/45/87/67/455458767.db2.gz HHOWKOPCSZHGGB-OAHLLOKOSA-N -1 3 338.367 3.016 20 70 EGIDHM CCCOc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1OC ZINC000160860330 455506666 /nfs/dbraw/zinc/50/66/66/455506666.db2.gz LXTDKZYTPPOCIB-VQHVLOKHSA-N -1 3 342.395 3.140 20 70 EGIDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000161046800 455527088 /nfs/dbraw/zinc/52/70/88/455527088.db2.gz QLKUWUGIPYEMLP-UHFFFAOYSA-N -1 3 339.800 3.220 20 70 EGIDHM CCOc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1OCC ZINC000160759413 455495944 /nfs/dbraw/zinc/49/59/44/455495944.db2.gz FMDQJALSNTYXRH-CSKARUKUSA-N -1 3 342.395 3.140 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)c4ccccc4n3)[n-]2)o1 ZINC000160304165 455446810 /nfs/dbraw/zinc/44/68/10/455446810.db2.gz HBULMUGYBMVCQQ-UHFFFAOYSA-N -1 3 333.351 3.482 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)c4ccccc4n3)n2)o1 ZINC000160304165 455446815 /nfs/dbraw/zinc/44/68/15/455446815.db2.gz HBULMUGYBMVCQQ-UHFFFAOYSA-N -1 3 333.351 3.482 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)c4ccccc4n3)n[n-]2)o1 ZINC000160304165 455446819 /nfs/dbraw/zinc/44/68/19/455446819.db2.gz HBULMUGYBMVCQQ-UHFFFAOYSA-N -1 3 333.351 3.482 20 70 EGIDHM COc1cc(C(=O)N2CCC[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000161221026 455549190 /nfs/dbraw/zinc/54/91/90/455549190.db2.gz RQOZKTZAKJWPKE-HNNXBMFYSA-N -1 3 327.380 3.387 20 70 EGIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000159364944 546937283 /nfs/dbraw/zinc/93/72/83/546937283.db2.gz CQPDNBGWYSUWES-UHFFFAOYSA-N -1 3 349.855 3.494 20 70 EGIDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000159371144 546937412 /nfs/dbraw/zinc/93/74/12/546937412.db2.gz OHBUSBLZVCKALA-UHFFFAOYSA-N -1 3 349.855 3.494 20 70 EGIDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1C ZINC000160835584 546950716 /nfs/dbraw/zinc/95/07/16/546950716.db2.gz QGDZMYPOEFTVBM-UHFFFAOYSA-N -1 3 337.372 3.030 20 70 EGIDHM CC1(C)Cc2ccc(C(=O)N[C@H]3CCOC4(CCCC4)C3)c([O-])c2O1 ZINC000159755793 281373498 /nfs/dbraw/zinc/37/34/98/281373498.db2.gz INTRANXDAPNVMF-AWEZNQCLSA-N -1 3 345.439 3.327 20 70 EGIDHM COc1cc(C(=O)N(C)Cc2ccccc2Cl)cc(OC)c1[O-] ZINC000160964296 307896777 /nfs/dbraw/zinc/89/67/77/307896777.db2.gz RIPHTWPPVOSGNY-UHFFFAOYSA-N -1 3 335.787 3.335 20 70 EGIDHM COc1cc(C(=O)NCc2ccc3ccccc3c2)cc(OC)c1[O-] ZINC000159781381 455403449 /nfs/dbraw/zinc/40/34/49/455403449.db2.gz UGRBDKIEFLFKCJ-UHFFFAOYSA-N -1 3 337.375 3.493 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3cn(C)c4ccccc34)[n-]2)o1 ZINC000160392488 455454084 /nfs/dbraw/zinc/45/40/84/455454084.db2.gz KPUCECOFVDFRBE-UHFFFAOYSA-N -1 3 335.367 3.046 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cn(C)c4ccccc34)n2)o1 ZINC000160392488 455454087 /nfs/dbraw/zinc/45/40/87/455454087.db2.gz KPUCECOFVDFRBE-UHFFFAOYSA-N -1 3 335.367 3.046 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3cn(C)c4ccccc34)n[n-]2)o1 ZINC000160392488 455454090 /nfs/dbraw/zinc/45/40/90/455454090.db2.gz KPUCECOFVDFRBE-UHFFFAOYSA-N -1 3 335.367 3.046 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)[n-]2)o1 ZINC000160191532 455435972 /nfs/dbraw/zinc/43/59/72/455435972.db2.gz ZQKKDFOCCKCVFK-WDEREUQCSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)n2)o1 ZINC000160191532 455435975 /nfs/dbraw/zinc/43/59/75/455435975.db2.gz ZQKKDFOCCKCVFK-WDEREUQCSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)n[n-]2)o1 ZINC000160191532 455435980 /nfs/dbraw/zinc/43/59/80/455435980.db2.gz ZQKKDFOCCKCVFK-WDEREUQCSA-N -1 3 344.321 3.394 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3csc(CC(C)C)n3)[n-]2)o1 ZINC000160355302 455450758 /nfs/dbraw/zinc/45/07/58/455450758.db2.gz IRODDWUXHZDQJD-UHFFFAOYSA-N -1 3 331.401 3.280 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3csc(CC(C)C)n3)n2)o1 ZINC000160355302 455450765 /nfs/dbraw/zinc/45/07/65/455450765.db2.gz IRODDWUXHZDQJD-UHFFFAOYSA-N -1 3 331.401 3.280 20 70 EGIDHM C[C@H](Sc1ccccn1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000160620319 455481465 /nfs/dbraw/zinc/48/14/65/455481465.db2.gz CZUVVYLWMWJWQV-JTQLQIEISA-N -1 3 343.387 3.125 20 70 EGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(F)c(Br)c1 ZINC000161390557 455565510 /nfs/dbraw/zinc/56/55/10/455565510.db2.gz VDWBYRRHBWJRHD-NSHDSACASA-N -1 3 333.157 3.168 20 70 EGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(F)c(Br)c1 ZINC000161390557 455565513 /nfs/dbraw/zinc/56/55/13/455565513.db2.gz VDWBYRRHBWJRHD-NSHDSACASA-N -1 3 333.157 3.168 20 70 EGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(Br)ccc1F ZINC000160158836 534718023 /nfs/dbraw/zinc/71/80/23/534718023.db2.gz MFKWBYKMVZZYJA-NSHDSACASA-N -1 3 333.157 3.168 20 70 EGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)ccc1F ZINC000160158836 534718034 /nfs/dbraw/zinc/71/80/34/534718034.db2.gz MFKWBYKMVZZYJA-NSHDSACASA-N -1 3 333.157 3.168 20 70 EGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000160528343 546947878 /nfs/dbraw/zinc/94/78/78/546947878.db2.gz GSFSEDYEDQRYRQ-UHFFFAOYSA-N -1 3 325.334 3.395 20 70 EGIDHM CC1(C)Cc2ccc(C(=O)N[C@@H]3CCOC4(CCCC4)C3)c([O-])c2O1 ZINC000159755667 281373491 /nfs/dbraw/zinc/37/34/91/281373491.db2.gz INTRANXDAPNVMF-CQSZACIVSA-N -1 3 345.439 3.327 20 70 EGIDHM COc1cc(Cl)c(C(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000160735161 307894133 /nfs/dbraw/zinc/89/41/33/307894133.db2.gz TUGLLVCYHYQJJE-UHFFFAOYSA-N -1 3 339.750 3.132 20 70 EGIDHM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000159781428 455403405 /nfs/dbraw/zinc/40/34/05/455403405.db2.gz HKFSYUDILKMFEM-CYBMUJFWSA-N -1 3 333.409 3.019 20 70 EGIDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1C ZINC000160829101 455503078 /nfs/dbraw/zinc/50/30/78/455503078.db2.gz RUARHLWMKHJCHA-UHFFFAOYSA-N -1 3 336.388 3.202 20 70 EGIDHM CCc1nc(-c2ccccc2NC(=O)c2cc(-c3ccco3)[n-]n2)n[nH]1 ZINC000161188211 455546110 /nfs/dbraw/zinc/54/61/10/455546110.db2.gz LHTOURKKOYCSIM-UHFFFAOYSA-N -1 3 348.366 3.270 20 70 EGIDHM Cc1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c(Br)c1 ZINC000161462773 264893969 /nfs/dbraw/zinc/89/39/69/264893969.db2.gz IJGSMFLIBSJHKT-UHFFFAOYSA-N -1 3 345.196 3.253 20 70 EGIDHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1[O-] ZINC000218334247 266194331 /nfs/dbraw/zinc/19/43/31/266194331.db2.gz MZFGGJGXZVKAFO-UHFFFAOYSA-N -1 3 346.814 3.443 20 70 EGIDHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160178366 455435019 /nfs/dbraw/zinc/43/50/19/455435019.db2.gz QDBNFOVGMMCENV-QWHCGFSZSA-N -1 3 338.367 3.124 20 70 EGIDHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160178366 455435021 /nfs/dbraw/zinc/43/50/21/455435021.db2.gz QDBNFOVGMMCENV-QWHCGFSZSA-N -1 3 338.367 3.124 20 70 EGIDHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160178366 455435026 /nfs/dbraw/zinc/43/50/26/455435026.db2.gz QDBNFOVGMMCENV-QWHCGFSZSA-N -1 3 338.367 3.124 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(OC(F)F)cc3)[n-]2)o1 ZINC000160188882 455436342 /nfs/dbraw/zinc/43/63/42/455436342.db2.gz LQCZCGSYEDDUOQ-UHFFFAOYSA-N -1 3 334.282 3.227 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(OC(F)F)cc3)n2)o1 ZINC000160188882 455436349 /nfs/dbraw/zinc/43/63/49/455436349.db2.gz LQCZCGSYEDDUOQ-UHFFFAOYSA-N -1 3 334.282 3.227 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(OC(F)F)cc3)n[n-]2)o1 ZINC000160188882 455436352 /nfs/dbraw/zinc/43/63/52/455436352.db2.gz LQCZCGSYEDDUOQ-UHFFFAOYSA-N -1 3 334.282 3.227 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4c(c(Cl)c3)OCO4)[n-]2)o1 ZINC000160238030 455441153 /nfs/dbraw/zinc/44/11/53/455441153.db2.gz VJAFALAXSQPRGC-UHFFFAOYSA-N -1 3 346.730 3.008 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4c(c(Cl)c3)OCO4)n2)o1 ZINC000160238030 455441159 /nfs/dbraw/zinc/44/11/59/455441159.db2.gz VJAFALAXSQPRGC-UHFFFAOYSA-N -1 3 346.730 3.008 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cc4c(c(Cl)c3)OCO4)n[n-]2)o1 ZINC000160238030 455441164 /nfs/dbraw/zinc/44/11/64/455441164.db2.gz VJAFALAXSQPRGC-UHFFFAOYSA-N -1 3 346.730 3.008 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)c3cnc(-c4ccccc4)nc3)[n-]2)o1 ZINC000160373804 455451429 /nfs/dbraw/zinc/45/14/29/455451429.db2.gz ASLAFKXGWBFVLF-UHFFFAOYSA-N -1 3 346.350 3.082 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc(-c4ccccc4)nc3)n2)o1 ZINC000160373804 455451433 /nfs/dbraw/zinc/45/14/33/455451433.db2.gz ASLAFKXGWBFVLF-UHFFFAOYSA-N -1 3 346.350 3.082 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)c3cnc(-c4ccccc4)nc3)n[n-]2)o1 ZINC000160373804 455451439 /nfs/dbraw/zinc/45/14/39/455451439.db2.gz ASLAFKXGWBFVLF-UHFFFAOYSA-N -1 3 346.350 3.082 20 70 EGIDHM CN(Cc1cc(Cl)cn1C)C(=O)Cc1ccc([O-])cc1Cl ZINC000160368337 455451686 /nfs/dbraw/zinc/45/16/86/455451686.db2.gz WMMHFEZXQGGZAT-UHFFFAOYSA-N -1 3 327.211 3.239 20 70 EGIDHM CCn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1=O ZINC000160405877 455454873 /nfs/dbraw/zinc/45/48/73/455454873.db2.gz CFHKHGIEKWQUNY-UHFFFAOYSA-N -1 3 340.470 3.028 20 70 EGIDHM COC(=O)C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000160465886 455462143 /nfs/dbraw/zinc/46/21/43/455462143.db2.gz ZRIQZOMEYOKILC-MRXNPFEDSA-N -1 3 347.798 3.009 20 70 EGIDHM Cc1cc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)c(F)cc1F ZINC000159384568 546937389 /nfs/dbraw/zinc/93/73/89/546937389.db2.gz ATASBIFUXVVNKD-UHFFFAOYSA-N -1 3 347.427 3.288 20 70 EGIDHM Cc1ccccc1CS(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000161009621 307897364 /nfs/dbraw/zinc/89/73/64/307897364.db2.gz ZYHVCEUCALYFIF-UHFFFAOYSA-N -1 3 333.306 3.493 20 70 EGIDHM COC(=O)c1ccc(C(=O)[N-]c2nc3c(s2)CCCCCC3)o1 ZINC000159609157 323222885 /nfs/dbraw/zinc/22/28/85/323222885.db2.gz YWDVYRYLIGGYPT-UHFFFAOYSA-N -1 3 334.397 3.434 20 70 EGIDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000160333333 455448272 /nfs/dbraw/zinc/44/82/72/455448272.db2.gz FZJQMJBLNSQWJE-SECBINFHSA-N -1 3 345.770 3.062 20 70 EGIDHM O=C(NCc1ccc([O-])c(F)c1)NCC1(Cc2ccccc2)CC1 ZINC000160824942 307894899 /nfs/dbraw/zinc/89/48/99/307894899.db2.gz OGNNBLYMVBJXQH-UHFFFAOYSA-N -1 3 328.387 3.353 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3Cl)[n-]2)o1 ZINC000160180698 455435493 /nfs/dbraw/zinc/43/54/93/455435493.db2.gz RFXPSRCKVDLIEY-SNVBAGLBSA-N -1 3 346.774 3.433 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Oc3ccccc3Cl)n2)o1 ZINC000160180698 455435498 /nfs/dbraw/zinc/43/54/98/455435498.db2.gz RFXPSRCKVDLIEY-SNVBAGLBSA-N -1 3 346.774 3.433 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3Cl)n[n-]2)o1 ZINC000160180698 455435501 /nfs/dbraw/zinc/43/55/01/455435501.db2.gz RFXPSRCKVDLIEY-SNVBAGLBSA-N -1 3 346.774 3.433 20 70 EGIDHM Cc1ccc(-c2nnc(NC(=O)Cc3c(F)cccc3Cl)[n-]2)o1 ZINC000160363178 455450568 /nfs/dbraw/zinc/45/05/68/455450568.db2.gz KAOHHGIWUXRWCU-UHFFFAOYSA-N -1 3 334.738 3.347 20 70 EGIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3c(F)cccc3Cl)n2)o1 ZINC000160363178 455450572 /nfs/dbraw/zinc/45/05/72/455450572.db2.gz KAOHHGIWUXRWCU-UHFFFAOYSA-N -1 3 334.738 3.347 20 70 EGIDHM Cc1ccc(-c2nc(NC(=O)Cc3c(F)cccc3Cl)n[n-]2)o1 ZINC000160363178 455450575 /nfs/dbraw/zinc/45/05/75/455450575.db2.gz KAOHHGIWUXRWCU-UHFFFAOYSA-N -1 3 334.738 3.347 20 70 EGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Br)c(F)c1 ZINC000161163752 455542281 /nfs/dbraw/zinc/54/22/81/455542281.db2.gz XCARUOPAMLMGKS-NSHDSACASA-N -1 3 333.157 3.168 20 70 EGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Br)c(F)c1 ZINC000161163752 455542286 /nfs/dbraw/zinc/54/22/86/455542286.db2.gz XCARUOPAMLMGKS-NSHDSACASA-N -1 3 333.157 3.168 20 70 EGIDHM Cc1ccc(F)c(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)c1 ZINC000159373048 546937095 /nfs/dbraw/zinc/93/70/95/546937095.db2.gz CJJBKHAFNVFAIH-UHFFFAOYSA-N -1 3 329.437 3.149 20 70 EGIDHM COCc1c(Br)cccc1NC(=O)[N-]OCC(C)C ZINC000159791193 225277937 /nfs/dbraw/zinc/27/79/37/225277937.db2.gz YKRWPBIXBFQERI-UHFFFAOYSA-N -1 3 331.210 3.305 20 70 EGIDHM CCc1cc(=O)[n-]c(CN2CCn3cccc3[C@H]2c2ccccc2)n1 ZINC000160767147 455496855 /nfs/dbraw/zinc/49/68/55/455496855.db2.gz WBEVNSZSXZABMJ-HXUWFJFHSA-N -1 3 334.423 3.151 20 70 EGIDHM Cc1cc(OCCCC(=O)[N-]OCc2cccnc2)ccc1Cl ZINC000160787092 455498812 /nfs/dbraw/zinc/49/88/12/455498812.db2.gz VEQZKNREUQWYJZ-UHFFFAOYSA-N -1 3 334.803 3.450 20 70 EGIDHM COc1ccc([O-])c(C(=O)NCc2csc(-c3ccco3)n2)c1 ZINC000160524163 455469669 /nfs/dbraw/zinc/46/96/69/455469669.db2.gz QXGBFNSAQXZZDE-UHFFFAOYSA-N -1 3 330.365 3.047 20 70 EGIDHM CC(C)(C)OC1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000160924274 455514066 /nfs/dbraw/zinc/51/40/66/455514066.db2.gz PZNUPHLQIUXHAZ-UHFFFAOYSA-N -1 3 325.836 3.394 20 70 EGIDHM