smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NCc1ncccc1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000952845653 1032663121 /nfs/dbraw/zinc/66/31/21/1032663121.db2.gz LXHXEADZHACSDC-LBPRGKRZSA-N -1 3 316.376 3.566 50 0 DHAAHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000048652771 1023801254 /nfs/dbraw/zinc/80/12/54/1023801254.db2.gz XNQMRQDUKXDHFN-UHFFFAOYSA-N -1 3 317.744 3.727 50 0 DHAAHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000031544747 1024519627 /nfs/dbraw/zinc/51/96/27/1024519627.db2.gz BRXDIKJGVOMJFP-UHFFFAOYSA-N -1 3 312.756 3.742 50 0 DHAAHM O=C1[N-]C(=O)/C(=C/c2csc3ccccc23)c2ccccc21 ZINC000084593120 1035334572 /nfs/dbraw/zinc/33/45/72/1035334572.db2.gz JOFQMBDYHBBXPI-OQLLNIDSSA-N -1 3 305.358 3.712 50 0 DHAAHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 ZINC000225578615 186280157 /nfs/dbraw/zinc/28/01/57/186280157.db2.gz KYVFXRNPBMFXIA-UHFFFAOYSA-N -1 3 306.365 3.521 50 0 DHAAHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C ZINC000072300843 191115190 /nfs/dbraw/zinc/11/51/90/191115190.db2.gz OZHUAHUYZJWBLH-ZDUSSCGKSA-N -1 3 316.401 3.995 50 0 DHAAHM CCc1ccc(CNC(=O)c2c[n-]nc2-c2cccs2)cc1 ZINC000072329443 191123839 /nfs/dbraw/zinc/12/38/39/191123839.db2.gz IZTLSMAGTYHORR-UHFFFAOYSA-N -1 3 311.410 3.631 50 0 DHAAHM [O-]c1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)cc1 ZINC000002236505 180916250 /nfs/dbraw/zinc/91/62/50/180916250.db2.gz MXVPANBPZWPQGO-QMMMGPOBSA-N -1 3 317.197 3.728 50 0 DHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C ZINC000003581173 181037442 /nfs/dbraw/zinc/03/74/42/181037442.db2.gz SDUQTFVVWCVVOO-UHFFFAOYSA-N -1 3 301.411 3.593 50 0 DHAAHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667098 181134253 /nfs/dbraw/zinc/13/42/53/181134253.db2.gz AEXPCUOCUOTZML-SKDRFNHKSA-N -1 3 322.257 3.850 50 0 DHAAHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000073407357 191313933 /nfs/dbraw/zinc/31/39/33/191313933.db2.gz XINAGVMBRPGMPT-GHMZBOCLSA-N -1 3 322.286 3.548 50 0 DHAAHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@@H]1c1cccnc1 ZINC000081458866 192269963 /nfs/dbraw/zinc/26/99/63/192269963.db2.gz YCSXCYYIRZGKQK-NEPJUHHUSA-N -1 3 322.286 3.548 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C ZINC000005980479 181303726 /nfs/dbraw/zinc/30/37/26/181303726.db2.gz UNXKZRSAEPFMLO-UHFFFAOYSA-N -1 3 319.426 3.811 50 0 DHAAHM CCC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000017031656 182069442 /nfs/dbraw/zinc/06/94/42/182069442.db2.gz APJCVEWDKNHYFX-UHFFFAOYSA-N -1 3 307.868 3.649 50 0 DHAAHM O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccn2)[n-]n1 ZINC000021090456 182264534 /nfs/dbraw/zinc/26/45/34/182264534.db2.gz BHKBWUHHIYWPLH-UHFFFAOYSA-N -1 3 316.723 3.517 50 0 DHAAHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000032755110 182659859 /nfs/dbraw/zinc/65/98/59/182659859.db2.gz QYDCCIXMCSZBNW-JTQLQIEISA-N -1 3 307.818 3.582 50 0 DHAAHM Cc1cccc([O-])c1NC(=O)c1csc(Br)c1 ZINC000357091133 257235766 /nfs/dbraw/zinc/23/57/66/257235766.db2.gz ZILBNDDNKKLKQO-UHFFFAOYSA-N -1 3 312.188 3.777 50 0 DHAAHM Cc1occc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000131410278 196165892 /nfs/dbraw/zinc/16/58/92/196165892.db2.gz SBCMDXXDZVGYDW-UHFFFAOYSA-N -1 3 312.350 3.863 50 0 DHAAHM CS(=O)(=O)[N-]c1csc(C(F)(F)F)c1-c1ccccc1 ZINC000000109007 563218637 /nfs/dbraw/zinc/21/86/37/563218637.db2.gz QABIMNOHTOCIKL-UHFFFAOYSA-N -1 3 321.345 3.805 50 0 DHAAHM Brc1nc(-c2ccccc2)[n-]c1Br ZINC000000394417 563249967 /nfs/dbraw/zinc/24/99/67/563249967.db2.gz VOBXKUYQZPXWPJ-UHFFFAOYSA-N -1 3 301.969 3.602 50 0 DHAAHM Cc1ccc(-n2cccc2C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000000981193 563273900 /nfs/dbraw/zinc/27/39/00/563273900.db2.gz UXTJJEZLLVZFAA-MDWZMJQESA-N -1 3 318.785 3.763 50 0 DHAAHM Cc1ccc(OCc2n[n-]c(=S)n2-c2ccccc2)c(C)c1 ZINC000002562151 563309131 /nfs/dbraw/zinc/30/91/31/563309131.db2.gz UMFNLRLNZJNHGV-UHFFFAOYSA-N -1 3 311.410 3.752 50 0 DHAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1ccon1 ZINC000013745864 563388624 /nfs/dbraw/zinc/38/86/24/563388624.db2.gz FCZJBRLANAUJME-UHFFFAOYSA-N -1 3 303.705 3.544 50 0 DHAAHM CCOc1ccc(NC(=S)Nc2ccc(C)cc2[O-])cc1 ZINC000010749838 563417628 /nfs/dbraw/zinc/41/76/28/563417628.db2.gz GXMKZTCSLJSQJI-UHFFFAOYSA-N -1 3 302.399 3.908 50 0 DHAAHM Cc1cccc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)c1C ZINC000027664445 563429369 /nfs/dbraw/zinc/42/93/69/563429369.db2.gz KXLKHASXQQPPRL-UHFFFAOYSA-N -1 3 322.364 3.976 50 0 DHAAHM O=C([O-])[C@@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000047844230 563466332 /nfs/dbraw/zinc/46/63/32/563466332.db2.gz HFUIVXFCBXWSBT-AWEZNQCLSA-N -1 3 309.287 3.621 50 0 DHAAHM CCCCN(Cc1ccco1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000055309130 563473415 /nfs/dbraw/zinc/47/34/15/563473415.db2.gz LOOBEXRYOUXHLT-UHFFFAOYSA-N -1 3 324.380 3.564 50 0 DHAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000000414664 563611392 /nfs/dbraw/zinc/61/13/92/563611392.db2.gz QMBZXCGNQJKRAH-UHFFFAOYSA-N -1 3 301.371 3.968 50 0 DHAAHM O=C([N-]c1cccc2nsnc21)c1ncc(-c2ccccc2)o1 ZINC000206585319 563620280 /nfs/dbraw/zinc/62/02/80/563620280.db2.gz UPRGJVVTXXSSJD-UHFFFAOYSA-N -1 3 322.349 3.599 50 0 DHAAHM Cc1nc(-c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)co1 ZINC000012552205 563801087 /nfs/dbraw/zinc/80/10/87/563801087.db2.gz GQIKVIXWLJGCLX-UHFFFAOYSA-N -1 3 308.337 3.916 50 0 DHAAHM O=C([N-]c1nnc(SCc2cccs2)s1)c1ccoc1 ZINC000053285248 563842701 /nfs/dbraw/zinc/84/27/01/563842701.db2.gz TUQAQBLHFVZITN-UHFFFAOYSA-N -1 3 323.424 3.737 50 0 DHAAHM Cc1cc(C)c(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000170090958 563903623 /nfs/dbraw/zinc/90/36/23/563903623.db2.gz CRXNZJQTJWOUQT-INIZCTEOSA-N -1 3 303.427 3.979 50 0 DHAAHM CSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000002627541 563939746 /nfs/dbraw/zinc/93/97/46/563939746.db2.gz LJDCOVRRFHAPGK-UHFFFAOYSA-N -1 3 307.440 3.826 50 0 DHAAHM CCCSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000008584615 563949146 /nfs/dbraw/zinc/94/91/46/563949146.db2.gz MTJYHXRFKVMGRO-UHFFFAOYSA-N -1 3 320.805 3.677 50 0 DHAAHM Cc1cc(C)cc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)c1 ZINC000009135082 563953343 /nfs/dbraw/zinc/95/33/43/563953343.db2.gz RYBNLPMZKOOUGM-UHFFFAOYSA-N -1 3 322.364 3.976 50 0 DHAAHM Cc1nnc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000009451295 563955943 /nfs/dbraw/zinc/95/59/43/563955943.db2.gz QXBMVTNDYFRNLT-UHFFFAOYSA-N -1 3 307.762 3.807 50 0 DHAAHM Cc1ccccc1NC(=O)c1[n-]nc2c1COc1ccccc1-2 ZINC000009728654 563957651 /nfs/dbraw/zinc/95/76/51/563957651.db2.gz RPWMCGFZUTVWOY-UHFFFAOYSA-N -1 3 305.337 3.530 50 0 DHAAHM Cc1ccccc1NC(=O)c1n[n-]c2c1COc1ccccc1-2 ZINC000009728654 563957653 /nfs/dbraw/zinc/95/76/53/563957653.db2.gz RPWMCGFZUTVWOY-UHFFFAOYSA-N -1 3 305.337 3.530 50 0 DHAAHM O=C([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccno1 ZINC000010253817 563958358 /nfs/dbraw/zinc/95/83/58/563958358.db2.gz VSRINQFQDCRYBG-UHFFFAOYSA-N -1 3 305.746 3.704 50 0 DHAAHM O=c1ccnc(C=Cc2ccc(OCc3ccccc3)cc2)[n-]1 ZINC000078899207 1013567085 /nfs/dbraw/zinc/56/70/85/1013567085.db2.gz HMZZIERZLSIPQX-DHZHZOJOSA-N -1 3 304.349 3.519 50 0 DHAAHM O=C(/C=C/c1nc2ccccc2s1)[N-]OCc1ccccc1 ZINC000014200640 1022315619 /nfs/dbraw/zinc/31/56/19/1022315619.db2.gz HDAMJDKSVMBXQK-ZHACJKMWSA-N -1 3 310.378 3.558 50 0 DHAAHM Cc1cc2nc(-c3c([O-])[nH]c4ccccc4c3=O)[nH]c2cc1C ZINC000005687201 1034513768 /nfs/dbraw/zinc/51/37/68/1034513768.db2.gz IMHCPNCWRFGWJV-UHFFFAOYSA-N -1 3 305.337 3.806 50 0 DHAAHM Cc1cc2nc(-c3c([O-])c4ccccc4[nH]c3=O)[nH]c2cc1C ZINC000005687201 1034513779 /nfs/dbraw/zinc/51/37/79/1034513779.db2.gz IMHCPNCWRFGWJV-UHFFFAOYSA-N -1 3 305.337 3.806 50 0 DHAAHM O=C(N[C@@H]1CCc2ccccc21)c1c[n-]nc1-c1cccs1 ZINC000072329481 191124038 /nfs/dbraw/zinc/12/40/38/191124038.db2.gz CYSSRIBUEWPUGN-CQSZACIVSA-N -1 3 309.394 3.556 50 0 DHAAHM Cc1ccc(NC(=O)CCc2nc3ccccc3s2)c([O-])c1 ZINC000003374788 181012640 /nfs/dbraw/zinc/01/26/40/181012640.db2.gz NFSCEMOTSHOUBF-UHFFFAOYSA-N -1 3 312.394 3.882 50 0 DHAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1 ZINC000003881412 181052270 /nfs/dbraw/zinc/05/22/70/181052270.db2.gz MBMQEIFVQACCCH-QBODLPLBSA-N -1 3 318.369 3.580 50 0 endogenous,in-man DHAAHM O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2[O-])on1 ZINC000003908594 181056658 /nfs/dbraw/zinc/05/66/58/181056658.db2.gz XVYBJQNWNSMBOC-UHFFFAOYSA-N -1 3 316.263 3.578 50 0 DHAAHM O=C(C(=S)[N-]CCc1ccccc1)c1c[nH]c2ccccc12 ZINC000004809063 181154427 /nfs/dbraw/zinc/15/44/27/181154427.db2.gz YAARWGXUSISLCK-UHFFFAOYSA-N -1 3 308.406 3.510 50 0 DHAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1C ZINC000005697570 181273404 /nfs/dbraw/zinc/27/34/04/181273404.db2.gz IITAXJLAKZGALW-UHFFFAOYSA-N -1 3 307.390 3.860 50 0 DHAAHM O=S(=O)([N-]C1CCCCCC1)c1cccc(Cl)c1Cl ZINC000006508878 181347429 /nfs/dbraw/zinc/34/74/29/181347429.db2.gz URTRVCRAAJYUSB-UHFFFAOYSA-N -1 3 322.257 3.995 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2ccc(Cl)cc2F)s1 ZINC000015582456 182007556 /nfs/dbraw/zinc/00/75/56/182007556.db2.gz UPUUEZTWZABUTL-UHFFFAOYSA-N -1 3 317.798 3.695 50 0 DHAAHM O=C1[N-]C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000015661959 182010467 /nfs/dbraw/zinc/01/04/67/182010467.db2.gz OOXLDSMVLCUVSP-GHXNOFRVSA-N -1 3 318.159 3.804 50 0 DHAAHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000016780025 182060970 /nfs/dbraw/zinc/06/09/70/182060970.db2.gz OEZCACRFSPZUOV-SKDRFNHKSA-N -1 3 322.257 3.850 50 0 DHAAHM COc1ccc2nc(C)cc(Nc3ccccc3C(=O)[O-])c2c1 ZINC000019703277 182137764 /nfs/dbraw/zinc/13/77/64/182137764.db2.gz IOXLHUBVQAIDGO-UHFFFAOYSA-N -1 3 308.337 3.994 50 0 biogenic DHAAHM Cc1cc(-c2nnc([N-]C(=O)c3cc4ccccc4o3)o2)c(C)o1 ZINC000056907243 184021407 /nfs/dbraw/zinc/02/14/07/184021407.db2.gz KSYQFVQBACYLGB-UHFFFAOYSA-N -1 3 323.308 3.945 50 0 DHAAHM CCN(CC)c1ccc(C(=O)N2CCCCCCC2)c([O-])c1 ZINC000065041055 184309530 /nfs/dbraw/zinc/30/95/30/184309530.db2.gz ZTBGNAQEEOZPEB-UHFFFAOYSA-N -1 3 304.434 3.645 50 0 DHAAHM CSc1ccccc1[N-]C(=O)c1csc(-n2cccc2)n1 ZINC000038490405 257217528 /nfs/dbraw/zinc/21/75/28/257217528.db2.gz VVHPUQLOFICBCF-UHFFFAOYSA-N -1 3 315.423 3.908 50 0 DHAAHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1nc(C)ccc1[O-] ZINC000103343267 332968762 /nfs/dbraw/zinc/96/87/62/332968762.db2.gz FBABELBPRRMXRP-AWEZNQCLSA-N -1 3 300.402 3.800 50 0 DHAAHM CC(C)(C)c1csc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000299745217 526832502 /nfs/dbraw/zinc/83/25/02/526832502.db2.gz WUKPESANBYBEGQ-AGIUHOORSA-N -1 3 322.474 3.658 50 0 DHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000005598715 563330132 /nfs/dbraw/zinc/33/01/32/563330132.db2.gz OWVUZOVZHQHWSH-UHFFFAOYSA-N -1 3 305.399 3.503 50 0 DHAAHM O=C(Nc1ccc(F)c(Cl)c1)C(=S)[N-]Cc1ccccc1 ZINC000000031464 563211288 /nfs/dbraw/zinc/21/12/88/563211288.db2.gz FFIJISXGLNYXOX-UHFFFAOYSA-N -1 3 322.792 3.535 50 0 DHAAHM Cn1c(=S)[n-]nc1SCc1ccc(Cl)c(Cl)c1 ZINC000000131854 563221729 /nfs/dbraw/zinc/22/17/29/563221729.db2.gz CSCCVJLXYPNUAF-UHFFFAOYSA-N -1 3 306.243 3.703 50 0 DHAAHM Clc1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000000142524 563223520 /nfs/dbraw/zinc/22/35/20/563223520.db2.gz NUYWOTGHOXXCLV-UHFFFAOYSA-N -1 3 307.140 3.966 50 0 DHAAHM Clc1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000000142524 563223522 /nfs/dbraw/zinc/22/35/22/563223522.db2.gz NUYWOTGHOXXCLV-UHFFFAOYSA-N -1 3 307.140 3.966 50 0 DHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000227606 563231555 /nfs/dbraw/zinc/23/15/55/563231555.db2.gz FXUDMEYRZNIBTA-UHFFFAOYSA-N -1 3 305.399 3.619 50 0 DHAAHM O=S(=O)([N-]c1ccccc1F)c1ccc2ccccc2c1 ZINC000001751232 563295369 /nfs/dbraw/zinc/29/53/69/563295369.db2.gz MNEVPODUCHHGMR-UHFFFAOYSA-N -1 3 301.342 3.780 50 0 DHAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002494310 563304439 /nfs/dbraw/zinc/30/44/39/563304439.db2.gz TYQCWVYXUZQCJI-UHFFFAOYSA-N -1 3 319.426 3.839 50 0 DHAAHM CC(=O)c1cccc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)c1 ZINC000012380255 563367730 /nfs/dbraw/zinc/36/77/30/563367730.db2.gz MHBNNJQOARPWKR-UHFFFAOYSA-N -1 3 324.311 3.534 50 0 DHAAHM CC(=O)c1cccc(NC(=O)c2cnc3ccc(F)cc3c2[O-])c1 ZINC000012380255 563367733 /nfs/dbraw/zinc/36/77/33/563367733.db2.gz MHBNNJQOARPWKR-UHFFFAOYSA-N -1 3 324.311 3.534 50 0 DHAAHM COc1ccccc1Nc1nc(-c2ccc(O)cc2[O-])cs1 ZINC000013135489 563378738 /nfs/dbraw/zinc/37/87/38/563378738.db2.gz ILOJWHSZXMDHLJ-UHFFFAOYSA-N -1 3 314.366 3.974 50 0 DHAAHM COc1ccc(C=Cc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000013638662 563384056 /nfs/dbraw/zinc/38/40/56/563384056.db2.gz IFKRIEGMEQAODE-FMIVXFBMSA-N -1 3 304.349 3.616 50 0 DHAAHM Cc1cccnc1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000013692281 563386075 /nfs/dbraw/zinc/38/60/75/563386075.db2.gz YKRNZNLYWMSFQG-UHFFFAOYSA-N -1 3 313.744 3.550 50 0 DHAAHM Cc1cccnc1NC(=O)c1cnc2c(Cl)cccc2c1[O-] ZINC000013692281 563386076 /nfs/dbraw/zinc/38/60/76/563386076.db2.gz YKRNZNLYWMSFQG-UHFFFAOYSA-N -1 3 313.744 3.550 50 0 DHAAHM O=C([N-]c1nncs1)c1ccc(-c2ccccc2F)s1 ZINC000032816418 563398267 /nfs/dbraw/zinc/39/82/67/563398267.db2.gz PYVSENGEPJCHKO-UHFFFAOYSA-N -1 3 305.359 3.658 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c(C)c1 ZINC000032935316 563415036 /nfs/dbraw/zinc/41/50/36/563415036.db2.gz YFZJVEIILVGQHR-UHFFFAOYSA-N -1 3 319.426 3.735 50 0 DHAAHM COc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])cc1Cl ZINC000086755534 563469234 /nfs/dbraw/zinc/46/92/34/563469234.db2.gz KSIBCNRAEWXHEJ-CYBMUJFWSA-N -1 3 311.809 3.568 50 0 DHAAHM Cc1ccc(SCCN(C)Cc2nc(C)ccc2[O-])cc1 ZINC000055270564 563474025 /nfs/dbraw/zinc/47/40/25/563474025.db2.gz HSNALMMLHSQWOX-UHFFFAOYSA-N -1 3 302.443 3.628 50 0 DHAAHM O=C([O-])C[C@@H]1CCCCN1Cc1ccc2cc(Cl)ccc2n1 ZINC000097654036 563541312 /nfs/dbraw/zinc/54/13/12/563541312.db2.gz CVZGXEHUKPDFET-HNNXBMFYSA-N -1 3 318.804 3.717 50 0 DHAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000000248892 563581926 /nfs/dbraw/zinc/58/19/26/563581926.db2.gz OBALECHGYOLXEK-UHFFFAOYSA-N -1 3 307.390 3.825 50 0 DHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2[C@@H]2CC=CCC2)C1 ZINC000102749710 563662029 /nfs/dbraw/zinc/66/20/29/563662029.db2.gz MWHXXHXFNHBNND-YGRLFVJLSA-N -1 3 314.389 3.925 50 0 DHAAHM CC(C)[C@@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000084456581 563827048 /nfs/dbraw/zinc/82/70/48/563827048.db2.gz PHRZVRYZLVGKQK-ZDUSSCGKSA-N -1 3 311.385 3.702 50 0 DHAAHM Cc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000252503723 563916403 /nfs/dbraw/zinc/91/64/03/563916403.db2.gz VGGUQSUYNXYKGQ-UHFFFAOYSA-N -1 3 313.781 3.729 50 0 DHAAHM COc1cc2cc(-c3ccc(O)cc3[O-])nc(C)c2cc1OC ZINC000013122646 563929278 /nfs/dbraw/zinc/92/92/78/563929278.db2.gz SIZZKZXYIRZRTK-UHFFFAOYSA-N -1 3 311.337 3.639 50 0 biogenic DHAAHM O=C([O-])[C@@H]1CCCCN1Cc1ccc(F)c(-c2cccs2)c1 ZINC000263442789 563946255 /nfs/dbraw/zinc/94/62/55/563946255.db2.gz WZQXQHAOQAHXSS-HNNXBMFYSA-N -1 3 319.401 3.993 50 0 DHAAHM O=c1nc([C@H]2CCCCO2)[n-]c2sc3c(c21)CCCCC3 ZINC000952994004 1032682736 /nfs/dbraw/zinc/68/27/36/1032682736.db2.gz NIRWKCYZPDTSAQ-LLVKDONJSA-N -1 3 304.415 3.907 50 0 DHAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000000364273 1023936595 /nfs/dbraw/zinc/93/65/95/1023936595.db2.gz VRSDWHXUZQJOKF-UHFFFAOYSA-N -1 3 318.442 3.642 50 0 DHAAHM CC(C)(C)C=Cc1nccc(-c2ccccc2)c1-c1nnn[n-]1 ZINC000072447034 191168705 /nfs/dbraw/zinc/16/87/05/191168705.db2.gz YHLPUTWKZMUDLK-PKNBQFBNSA-N -1 3 305.385 3.988 50 0 DHAAHM CC(C)(C)C=Cc1nccc(-c2ccccc2)c1-c1nn[n-]n1 ZINC000072447034 191168707 /nfs/dbraw/zinc/16/87/07/191168707.db2.gz YHLPUTWKZMUDLK-PKNBQFBNSA-N -1 3 305.385 3.988 50 0 DHAAHM Cc1noc(C(=O)[N-]c2ccccc2C(F)(F)F)c1Cl ZINC000004077190 181070584 /nfs/dbraw/zinc/07/05/84/181070584.db2.gz WIDPPIFSRHEJDN-UHFFFAOYSA-N -1 3 304.655 3.908 50 0 DHAAHM COc1ccc(Cl)cc1[N-]C(=O)c1onc(C)c1Cl ZINC000005006996 181189641 /nfs/dbraw/zinc/18/96/41/181189641.db2.gz NPDFGFHFNITYIG-UHFFFAOYSA-N -1 3 301.129 3.551 50 0 DHAAHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1C[C@H]1c1cccnc1 ZINC000081458865 192270966 /nfs/dbraw/zinc/27/09/66/192270966.db2.gz YCSXCYYIRZGKQK-RYUDHWBXSA-N -1 3 322.286 3.548 50 0 DHAAHM CC(C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000006493116 181346012 /nfs/dbraw/zinc/34/60/12/181346012.db2.gz IPYAKPJDRQTMHQ-UHFFFAOYSA-N -1 3 320.805 3.675 50 0 DHAAHM CCc1nonc1[N-]C(=O)c1oc2ccc(Cl)cc2c1C ZINC000006743418 181381242 /nfs/dbraw/zinc/38/12/42/181381242.db2.gz XTPVFTAVLVXABF-UHFFFAOYSA-N -1 3 305.721 3.592 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(C)c1 ZINC000013331339 181844671 /nfs/dbraw/zinc/84/46/71/181844671.db2.gz NABXUMMKRMSSIP-UHFFFAOYSA-N -1 3 314.410 3.894 50 0 DHAAHM O=c1nc(-c2ccccn2)[n-]c2scc(-c3cccs3)c21 ZINC000020369509 182212630 /nfs/dbraw/zinc/21/26/30/182212630.db2.gz FIQXDNQMUYCVOZ-UHFFFAOYSA-N -1 3 311.391 3.775 50 0 DHAAHM CN(C)Cc1ccc(-c2ccc3[nH]cc(CC(=O)[O-])c3c2)cc1 ZINC000534655039 334313453 /nfs/dbraw/zinc/31/34/53/334313453.db2.gz SCVLFRAXFQTCLV-UHFFFAOYSA-N -1 3 308.381 3.524 50 0 DHAAHM O=S(=O)([N-]Cc1ccsc1)c1cc(Cl)ccc1Cl ZINC000013724832 563909946 /nfs/dbraw/zinc/90/99/46/563909946.db2.gz RNYNOPURJVLOQQ-UHFFFAOYSA-N -1 3 322.238 3.533 50 0 DHAAHM [O-]c1ccc2ccccc2c1Sc1nnnn1-c1ccccc1 ZINC000000091605 563215824 /nfs/dbraw/zinc/21/58/24/563215824.db2.gz FYYIVMBULWGHIN-UHFFFAOYSA-N -1 3 320.377 3.672 50 0 DHAAHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000145192 563223796 /nfs/dbraw/zinc/22/37/96/563223796.db2.gz CAXHZJKUHBMSPS-UHFFFAOYSA-N -1 3 303.427 3.921 50 0 DHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000000248896 563233509 /nfs/dbraw/zinc/23/35/09/563233509.db2.gz FOEGASJMXNGISL-UHFFFAOYSA-N -1 3 303.427 3.994 50 0 DHAAHM O=[N+]([O-])C(=C(Cl)C(Cl)Cl)c1nc2ccccc2[n-]1 ZINC000000261991 563234643 /nfs/dbraw/zinc/23/46/43/563234643.db2.gz NMWNNVAECBLGFO-UHFFFAOYSA-N -1 3 306.536 3.855 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000000380174 563247676 /nfs/dbraw/zinc/24/76/76/563247676.db2.gz ZTDNJZBUTWTQEW-UHFFFAOYSA-N -1 3 319.426 3.811 50 0 DHAAHM [O-]c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000000426190 563252832 /nfs/dbraw/zinc/25/28/32/563252832.db2.gz GCPKIGQJCIJKJP-UHFFFAOYSA-N -1 3 317.142 3.872 50 0 DHAAHM [O-]C(=NOCc1ccccc1)Nc1ccc(Br)cc1 ZINC000000583342 563268196 /nfs/dbraw/zinc/26/81/96/563268196.db2.gz XNILIEIEXZSUES-UHFFFAOYSA-N -1 3 321.174 3.702 50 0 DHAAHM O=C([N-]OCc1ccccc1)Nc1ccc(Br)cc1 ZINC000000583342 563268200 /nfs/dbraw/zinc/26/82/00/563268200.db2.gz XNILIEIEXZSUES-UHFFFAOYSA-N -1 3 321.174 3.702 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2oc3ccccc3c2C)s1 ZINC000001054642 563275802 /nfs/dbraw/zinc/27/58/02/563275802.db2.gz LMIXURFWBLPPMN-UHFFFAOYSA-N -1 3 319.411 3.957 50 0 DHAAHM Cc1nc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc1C ZINC000002762893 563313211 /nfs/dbraw/zinc/31/32/11/563313211.db2.gz PBADWZXKYPAGRS-UHFFFAOYSA-N -1 3 322.258 3.708 50 0 DHAAHM CCc1c(C)sc2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000002790366 563341929 /nfs/dbraw/zinc/34/19/29/563341929.db2.gz NYUGMJXXHJJHAC-UHFFFAOYSA-N -1 3 310.382 3.582 50 0 DHAAHM O=c1oc2ccc(Br)cc2cc1-c1ccc([O-])cc1 ZINC000011765831 563359241 /nfs/dbraw/zinc/35/92/41/563359241.db2.gz GCVHGZVYXGKVJH-UHFFFAOYSA-N -1 3 317.138 3.928 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2cc3cc(C)ccc3o2)s1 ZINC000012274826 563365271 /nfs/dbraw/zinc/36/52/71/563365271.db2.gz CDMDZOWPXIOMTE-UHFFFAOYSA-N -1 3 319.411 3.957 50 0 DHAAHM [O-]c1cc(O)ccc1-c1csc(COc2ccc(F)cc2)n1 ZINC000014129515 563396176 /nfs/dbraw/zinc/39/61/76/563396176.db2.gz JAMVGXIRAKVPAE-UHFFFAOYSA-N -1 3 317.341 3.939 50 0 DHAAHM O=C(Cn1ccc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000026103044 563425049 /nfs/dbraw/zinc/42/50/49/563425049.db2.gz RVUNQQYXXQUDLB-UHFFFAOYSA-N -1 3 300.745 3.639 50 0 DHAAHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc3c4c(cccc42)CC3)on1 ZINC000011037734 563432730 /nfs/dbraw/zinc/43/27/30/563432730.db2.gz HWVNWEJJKFGVEV-LBPRGKRZSA-N -1 3 321.380 3.674 50 0 DHAAHM O=C([O-])[C@H](NCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000047844231 563466186 /nfs/dbraw/zinc/46/61/86/563466186.db2.gz HFUIVXFCBXWSBT-CQSZACIVSA-N -1 3 309.287 3.621 50 0 DHAAHM Cc1ncsc1CN1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095374486 563529791 /nfs/dbraw/zinc/52/97/91/563529791.db2.gz TWYWKOSSTMMZDU-HNNXBMFYSA-N -1 3 316.426 3.529 50 0 DHAAHM Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000000365103 563590824 /nfs/dbraw/zinc/59/08/24/563590824.db2.gz LLTRMAKQEBASMT-NSHDSACASA-N -1 3 305.761 3.760 50 0 DHAAHM O=c1nc(-c2cccs2)[n-]c2sc3c(c21)CCSC3 ZINC000048412377 563698263 /nfs/dbraw/zinc/69/82/63/563698263.db2.gz HVCHXGUOGNKZRY-UHFFFAOYSA-N -1 3 306.437 3.502 50 0 DHAAHM Cc1ccc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000012566463 563801923 /nfs/dbraw/zinc/80/19/23/563801923.db2.gz DAEUJMGTCAQYKE-UHFFFAOYSA-N -1 3 311.410 3.536 50 0 DHAAHM O=C(Nc1ncccc1[O-])c1sc2ccccc2c1Cl ZINC000012645001 563808680 /nfs/dbraw/zinc/80/86/80/563808680.db2.gz CTWXACCFBYALRO-UHFFFAOYSA-N -1 3 304.758 3.908 50 0 DHAAHM O=C([N-]c1nncs1)c1cc2c(s1)-c1ccccc1CC2 ZINC000013004386 563875069 /nfs/dbraw/zinc/87/50/69/563875069.db2.gz KJZOSJDOGPYZIR-UHFFFAOYSA-N -1 3 313.407 3.618 50 0 DHAAHM O=C1S/C(=C/c2cccs2)C(=O)N1c1ccc([O-])cc1 ZINC000002368066 563927333 /nfs/dbraw/zinc/92/73/33/563927333.db2.gz XHGSYSGXPTZEBG-XYOKQWHBSA-N -1 3 303.364 3.695 50 0 DHAAHM COc1ccc2c(CC(=O)Nc3ccc(C)cc3[O-])coc2c1 ZINC000009155790 563953632 /nfs/dbraw/zinc/95/36/32/563953632.db2.gz DJVZWFCVIPXSTL-UHFFFAOYSA-N -1 3 311.337 3.637 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1ccc(Br)cc1F ZINC000009516421 563956632 /nfs/dbraw/zinc/95/66/32/563956632.db2.gz HIEHMWILJKLZFA-UHFFFAOYSA-N -1 3 310.122 3.546 50 0 DHAAHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(F)ccc1F ZINC000074983459 1017841534 /nfs/dbraw/zinc/84/15/34/1017841534.db2.gz MEAJBYVDUDYQIH-UHFFFAOYSA-N -1 3 317.744 3.560 50 0 DHAAHM COc1ccc([O-])c(-c2nc(-c3csc(C(C)C)n3)no2)c1 ZINC000585099432 1029742658 /nfs/dbraw/zinc/74/26/58/1029742658.db2.gz GQIQRMASCJMBEQ-UHFFFAOYSA-N -1 3 317.370 3.698 50 0 DHAAHM O=C([O-])CCCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000181556308 199316804 /nfs/dbraw/zinc/31/68/04/199316804.db2.gz RKUTXFGZFNFANE-KRWDZBQOSA-N -1 3 300.402 3.950 50 0 DHAAHM COc1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)c([O-])c1 ZINC000083927861 192390748 /nfs/dbraw/zinc/39/07/48/192390748.db2.gz VWTHPQJGLKPIFO-UHFFFAOYSA-N -1 3 323.348 3.591 50 0 DHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2ccco2)on1 ZINC000003908403 181056483 /nfs/dbraw/zinc/05/64/83/181056483.db2.gz PYUICRYYHYDBRO-UHFFFAOYSA-N -1 3 304.689 3.546 50 0 DHAAHM O=C([N-]c1nnc(-c2ccco2)o1)c1ccc(Cl)cc1Cl ZINC000004107333 181074207 /nfs/dbraw/zinc/07/42/07/181074207.db2.gz NCUWMMRMGDRZRK-UHFFFAOYSA-N -1 3 324.123 3.889 50 0 DHAAHM Cc1cc(C)cc(-n2ccc([O-])c(Cc3ccc(F)cc3)c2=O)c1 ZINC000005734630 181278602 /nfs/dbraw/zinc/27/86/02/181278602.db2.gz CIWBJWMVIQJNEW-UHFFFAOYSA-N -1 3 323.367 3.890 50 0 DHAAHM O=C([N-]c1cc(-c2ccc(Cl)s2)on1)c1ccncc1F ZINC000193377404 201041356 /nfs/dbraw/zinc/04/13/56/201041356.db2.gz MHSNEHGWWKGJQW-UHFFFAOYSA-N -1 3 323.736 3.843 50 0 DHAAHM CC(=O)Nc1ccc(NCc2ccc([O-])c3ncccc23)cc1 ZINC000006563000 181354981 /nfs/dbraw/zinc/35/49/81/181354981.db2.gz NRGRRDQGYXZXKI-UHFFFAOYSA-N -1 3 307.353 3.511 50 0 DHAAHM CCc1nonc1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000006743408 181381246 /nfs/dbraw/zinc/38/12/46/181381246.db2.gz HHSLPJOGAWJPSL-UHFFFAOYSA-N -1 3 307.762 3.752 50 0 DHAAHM Cc1ccc(NCc2nc(C)ccc2[O-])c(Br)c1 ZINC000091993461 193138383 /nfs/dbraw/zinc/13/83/83/193138383.db2.gz YDAIJPNPFVUMKA-UHFFFAOYSA-N -1 3 307.191 3.779 50 0 DHAAHM Cc1cc(C(=O)[N-]c2ncc(Cc3ccc(C)cc3)s2)on1 ZINC000008849619 256523982 /nfs/dbraw/zinc/52/39/82/256523982.db2.gz UMHKAEODJGYGOX-UHFFFAOYSA-N -1 3 313.382 3.591 50 0 DHAAHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc2ccccc2c1 ZINC000000582916 563268149 /nfs/dbraw/zinc/26/81/49/563268149.db2.gz FAQHICHFJVWFBK-UHFFFAOYSA-N -1 3 319.332 3.919 50 0 DHAAHM O=S(=O)([N-]c1ccccc1F)c1ccc(Cl)c(Cl)c1 ZINC000002881873 563316773 /nfs/dbraw/zinc/31/67/73/563316773.db2.gz XTTCCNSMKNRFSG-UHFFFAOYSA-N -1 3 320.172 3.933 50 0 DHAAHM CC(=O)Nc1ccc(/C=C/c2noc(-c3ccccc3[O-])n2)cc1 ZINC000013124567 563378320 /nfs/dbraw/zinc/37/83/20/563378320.db2.gz KXDRZYJTTYXIEO-DHZHZOJOSA-N -1 3 321.336 3.571 50 0 DHAAHM CCOc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000013669427 563384971 /nfs/dbraw/zinc/38/49/71/563384971.db2.gz AZRVWSVBQQCFAE-UHFFFAOYSA-N -1 3 319.426 3.811 50 0 DHAAHM C=C(C)[C@@H]1CC=C(C)C(=N[N-]C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000000342601 563413501 /nfs/dbraw/zinc/41/35/01/563413501.db2.gz OEDXRDCKAVHCBS-CYBMUJFWSA-N -1 3 313.357 3.613 50 0 DHAAHM Cc1ccc(-c2ocnc2C(=O)[N-]c2ccc(F)cc2F)o1 ZINC000033049040 563477137 /nfs/dbraw/zinc/47/71/37/563477137.db2.gz JSRIXFMSGOMNCY-UHFFFAOYSA-N -1 3 304.252 3.774 50 0 DHAAHM COc1ccc(Cl)c2c(=O)c(CN3CCCCC3)c(C)[n-]c12 ZINC000008717392 563523484 /nfs/dbraw/zinc/52/34/84/563523484.db2.gz FMIHPSJBKXBULJ-UHFFFAOYSA-N -1 3 320.820 3.897 50 0 DHAAHM Cc1ccc(O)c(C([O-])=C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000000183524 563576197 /nfs/dbraw/zinc/57/61/97/563576197.db2.gz YBCZSNLHGOIOAV-MRXNPFEDSA-N -1 3 324.298 3.724 50 0 DHAAHM Cc1ccc(O)c(C([O-])=C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000000183527 563576313 /nfs/dbraw/zinc/57/63/13/563576313.db2.gz YBCZSNLHGOIOAV-INIZCTEOSA-N -1 3 324.298 3.724 50 0 DHAAHM O=C(c1ccc(O)cc1[O-])N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000127989367 563605384 /nfs/dbraw/zinc/60/53/84/563605384.db2.gz NJDISOVXOLCZHS-MGPUTAFESA-N -1 3 323.392 3.639 50 0 DHAAHM CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c([O-])cc1O ZINC000000496259 563650720 /nfs/dbraw/zinc/65/07/20/563650720.db2.gz QAZSBLMMDOZCIP-UHFFFAOYSA-N -1 3 315.398 3.791 50 0 DHAAHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000183039902 563794021 /nfs/dbraw/zinc/79/40/21/563794021.db2.gz LUORGMNXITWJID-NEPJUHHUSA-N -1 3 303.308 3.721 50 0 DHAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccco1 ZINC000003254160 563799665 /nfs/dbraw/zinc/79/96/65/563799665.db2.gz GRFYNUQPYYLWMT-UHFFFAOYSA-N -1 3 317.395 3.676 50 0 DHAAHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1[O-] ZINC000012754010 563824693 /nfs/dbraw/zinc/82/46/93/563824693.db2.gz IJSZBSXEMKGKOA-UHFFFAOYSA-N -1 3 314.366 3.598 50 0 DHAAHM Cc1cccc(OCC(=O)[N-]c2cc(-c3cccs3)no2)c1 ZINC000065152974 563900391 /nfs/dbraw/zinc/90/03/91/563900391.db2.gz JSTVYWOQJPSSDL-UHFFFAOYSA-N -1 3 314.366 3.729 50 0 DHAAHM O=C(Cc1c(Cl)cccc1Cl)[N-]OCc1ccccc1 ZINC000007791491 563919557 /nfs/dbraw/zinc/91/95/57/563919557.db2.gz SCWAMENJYJHMMW-UHFFFAOYSA-N -1 3 310.180 3.784 50 0 DHAAHM CC(C)c1n[nH]cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000253425214 563925135 /nfs/dbraw/zinc/92/51/35/563925135.db2.gz BOMVWJSEUSWLPT-UHFFFAOYSA-N -1 3 313.279 3.510 50 0 DHAAHM CC(C)c1[nH]ncc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000253425214 563925136 /nfs/dbraw/zinc/92/51/36/563925136.db2.gz BOMVWJSEUSWLPT-UHFFFAOYSA-N -1 3 313.279 3.510 50 0 DHAAHM O=C1N2c3c(cccc3Sc3ccccc32)[C@@]1([O-])C(F)(F)F ZINC000002349751 563926350 /nfs/dbraw/zinc/92/63/50/563926350.db2.gz VXAPLOXEECSETK-AWEZNQCLSA-N -1 3 323.295 3.579 50 0 DHAAHM CC(C)Cc1sc(Cl)nc1C(=O)Nc1ccccc1[O-] ZINC000096223778 563935979 /nfs/dbraw/zinc/93/59/79/563935979.db2.gz KCQAYJNNFRDZEQ-UHFFFAOYSA-N -1 3 310.806 3.953 50 0 DHAAHM CCc1cc2c(CN[C@@H](C)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000057886702 563943137 /nfs/dbraw/zinc/94/31/37/563943137.db2.gz WGCRXLOGKOQKTC-ZDUSSCGKSA-N -1 3 323.392 3.912 50 0 DHAAHM Cc1cc(-c2ccc3c([n-]n(-c4ccccc4)c3=O)n2)c(C)o1 ZINC000031820337 563944902 /nfs/dbraw/zinc/94/49/02/563944902.db2.gz BHJCGOXOUGUHEX-UHFFFAOYSA-N -1 3 305.337 3.591 50 0 DHAAHM CCOc1c(Cl)cc(C(=O)Nc2ccccc2[O-])cc1OC ZINC000009390144 563955839 /nfs/dbraw/zinc/95/58/39/563955839.db2.gz QRPCAPOQJYYTTG-UHFFFAOYSA-N -1 3 321.760 3.705 50 0 DHAAHM C[C@H](NC(=O)c1c[n-]nc1-c1cccs1)c1ccc(F)cc1 ZINC000071115993 563957814 /nfs/dbraw/zinc/95/78/14/563957814.db2.gz JXKMHWJEZFDPBJ-JTQLQIEISA-N -1 3 315.373 3.768 50 0 DHAAHM CCCn1c(=O)[n-]nc1SCc1cccc(C(F)(F)F)c1 ZINC000010438577 563959101 /nfs/dbraw/zinc/95/91/01/563959101.db2.gz FOBCOHGIETVXRY-UHFFFAOYSA-N -1 3 317.336 3.705 50 0 DHAAHM COc1cc2nc(-c3ccc(O)cc3[O-])cc(C)c2cc1OC ZINC000077410440 563960722 /nfs/dbraw/zinc/96/07/22/563960722.db2.gz UIRCAMOLXFTZRB-UHFFFAOYSA-N -1 3 311.337 3.639 50 0 DHAAHM Cc1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)no1 ZINC000013625278 568412563 /nfs/dbraw/zinc/41/25/63/568412563.db2.gz VWACFDOSCMMPRO-UHFFFAOYSA-N -1 3 323.352 3.769 50 0 DHAAHM O=C(CCC(F)(F)F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000095416044 185358907 /nfs/dbraw/zinc/35/89/07/185358907.db2.gz DLGNKZCVXNUCBF-UHFFFAOYSA-N -1 3 301.186 3.692 50 0 DHAAHM Cc1nc(C2CCN(Cc3ccc(Cl)s3)CC2)cc(=O)[n-]1 ZINC000072158293 191060896 /nfs/dbraw/zinc/06/08/96/191060896.db2.gz RUJXPAODSFIYKP-UHFFFAOYSA-N -1 3 323.849 3.585 50 0 DHAAHM COc1ccc(-c2cc(C(=O)[N-]c3ccccc3F)on2)cc1 ZINC000004060139 181067894 /nfs/dbraw/zinc/06/78/94/181067894.db2.gz BYXULIPZMUVYTJ-UHFFFAOYSA-N -1 3 312.300 3.742 50 0 DHAAHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000073407346 191313183 /nfs/dbraw/zinc/31/31/83/191313183.db2.gz XINAGVMBRPGMPT-QWRGUYRKSA-N -1 3 322.286 3.548 50 0 DHAAHM O=C(OCc1cccc(Br)c1)c1ccc([O-])cc1 ZINC000005061204 181199211 /nfs/dbraw/zinc/19/92/11/181199211.db2.gz BEQNBDLZHTYSON-UHFFFAOYSA-N -1 3 307.143 3.512 50 0 DHAAHM O=C(OCc1ccccc1Br)c1ccc([O-])cc1 ZINC000005061160 181199429 /nfs/dbraw/zinc/19/94/29/181199429.db2.gz DSORRWIQRONHJE-UHFFFAOYSA-N -1 3 307.143 3.512 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000005214487 181217778 /nfs/dbraw/zinc/21/77/78/181217778.db2.gz XVQBGYURXWLSBV-UHFFFAOYSA-N -1 3 305.399 3.503 50 0 DHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000006415677 181339142 /nfs/dbraw/zinc/33/91/42/181339142.db2.gz CGDYARRNJZYEEL-UHFFFAOYSA-N -1 3 315.438 3.929 50 0 DHAAHM Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2[O-])c1 ZINC000006703150 181374328 /nfs/dbraw/zinc/37/43/28/181374328.db2.gz NCJDGNIEHKEVDE-UHFFFAOYSA-N -1 3 312.369 3.547 50 0 DHAAHM O=C1[N-]C(=O)C(=CNc2cccc3ccccc32)c2ccccc21 ZINC000016718974 182058614 /nfs/dbraw/zinc/05/86/14/182058614.db2.gz MTSBOPWMEAMOFF-SFQUDFHCSA-N -1 3 314.344 3.563 50 0 DHAAHM CC(C)c1cc(=O)[n-]c(Nc2ccc(N3CCCCC3)cc2)n1 ZINC000019942606 182168545 /nfs/dbraw/zinc/16/85/45/182168545.db2.gz IHFMFAZSKODAML-UHFFFAOYSA-N -1 3 312.417 3.627 50 0 DHAAHM CS(=O)(=O)[N-]c1ccc2nc(-c3cccc(Cl)c3)oc2c1 ZINC000020897119 182252157 /nfs/dbraw/zinc/25/21/57/182252157.db2.gz BLEFOTMEXURVIK-UHFFFAOYSA-N -1 3 322.773 3.520 50 0 DHAAHM CC[C@@H]1CCc2sc(C(=O)Nc3ncccc3[O-])cc2C1 ZINC000021901721 182297252 /nfs/dbraw/zinc/29/72/52/182297252.db2.gz HEUKFHQICAKYLA-SNVBAGLBSA-N -1 3 302.399 3.616 50 0 DHAAHM CC(=O)C(Sc1nc2c(s1)CCc1ccccc1-2)=C(C)[O-] ZINC000101360765 193811879 /nfs/dbraw/zinc/81/18/79/193811879.db2.gz AAFVSQUQKYPOEF-UHFFFAOYSA-N -1 3 317.435 3.547 50 0 DHAAHM COc1cccc(C2=NCC(=S)[N-]c3ccc(Cl)cc32)c1 ZINC000039241473 183015668 /nfs/dbraw/zinc/01/56/68/183015668.db2.gz UVHCNIVVAKYVDP-UHFFFAOYSA-N -1 3 316.813 3.939 50 0 DHAAHM Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c([O-])c1 ZINC000065536135 184362619 /nfs/dbraw/zinc/36/26/19/184362619.db2.gz KZFLFPFWXZUIDT-UHFFFAOYSA-N -1 3 317.295 3.767 50 0 DHAAHM CN1C(=O)Cc2cc(-c3csc(-c4ccccc4[O-])n3)ccc21 ZINC000065515438 184358146 /nfs/dbraw/zinc/35/81/46/184358146.db2.gz CHOBLEZWSVCORR-UHFFFAOYSA-N -1 3 322.389 3.702 50 0 DHAAHM CC(C)Nc1cc(-c2cc(OC(F)(F)F)ccc2[O-])ncn1 ZINC000426503434 257248623 /nfs/dbraw/zinc/24/86/23/257248623.db2.gz RZGYHBUBWZPQHN-UHFFFAOYSA-N -1 3 313.279 3.568 50 0 DHAAHM O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000007402799 563338597 /nfs/dbraw/zinc/33/85/97/563338597.db2.gz KFANTAKNQZLLDU-UHFFFAOYSA-N -1 3 319.279 3.645 50 0 DHAAHM CC1(C)c2ccccc2-n2c1cc([O-])c(Cc1ccccc1)c2=O ZINC000000087721 563215128 /nfs/dbraw/zinc/21/51/28/563215128.db2.gz XZMYPYMXQWLBLS-UHFFFAOYSA-N -1 3 317.388 3.773 50 0 DHAAHM CCc1cc(C(=O)Cc2nc3ccccc3s2)c(O)cc1[O-] ZINC000000189182 563229218 /nfs/dbraw/zinc/22/92/18/563229218.db2.gz AYWQTCGXNSEENI-UHFFFAOYSA-N -1 3 313.378 3.695 50 0 DHAAHM CSc1ccccc1[N-]C(=O)c1noc2c1C[C@@H](C)CC2 ZINC000007000220 563335920 /nfs/dbraw/zinc/33/59/20/563335920.db2.gz MZYZPQFCPDRRFP-JTQLQIEISA-N -1 3 302.399 3.774 50 0 DHAAHM COc1cc2c(cc1[N-]C(=O)c1ccno1)oc1ccccc12 ZINC000014129328 563396009 /nfs/dbraw/zinc/39/60/09/563396009.db2.gz RAKKPEBGEUIAMK-UHFFFAOYSA-N -1 3 308.293 3.835 50 0 DHAAHM Cc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000014634798 563402156 /nfs/dbraw/zinc/40/21/56/563402156.db2.gz YEOMXTABSXZAIM-UHFFFAOYSA-N -1 3 306.149 3.545 50 0 DHAAHM O=C(Nc1ncccc1[O-])c1ccc(C2SCCS2)cc1 ZINC000032841699 563443260 /nfs/dbraw/zinc/44/32/60/563443260.db2.gz IOZLWSWLSUBSJM-UHFFFAOYSA-N -1 3 318.423 3.518 50 0 DHAAHM CC(C)(C)c1cc([N-]C(=O)c2cc(F)c(F)c(F)c2F)no1 ZINC000000444696 563615094 /nfs/dbraw/zinc/61/50/94/563615094.db2.gz RBAOTOWPSXRKBC-UHFFFAOYSA-N -1 3 316.254 3.781 50 0 aggregator DHAAHM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000003154997 563636103 /nfs/dbraw/zinc/63/61/03/563636103.db2.gz YOFVPGNOKDVKSL-UHFFFAOYSA-N -1 3 305.177 3.774 50 0 DHAAHM [O-]c1cc(Br)c(Br)c(OC(F)F)c1 ZINC000263623961 563794700 /nfs/dbraw/zinc/79/47/00/563794700.db2.gz MFAPVYHOKVKZRV-UHFFFAOYSA-N -1 3 317.911 3.519 50 0 DHAAHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCCC1 ZINC000084774807 563831234 /nfs/dbraw/zinc/83/12/34/563831234.db2.gz YIDDMFIOMJKUMS-UHFFFAOYSA-N -1 3 311.385 3.846 50 0 DHAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000012915070 563853978 /nfs/dbraw/zinc/85/39/78/563853978.db2.gz FCDCMCCYHIOZJC-UHFFFAOYSA-N -1 3 307.752 3.765 50 0 DHAAHM Cc1ccc(CNCc2c3ccc(C)cc3[nH]c2C(=O)[O-])cc1 ZINC000006894426 563899211 /nfs/dbraw/zinc/89/92/11/563899211.db2.gz LYUCVCIMKCEYJM-UHFFFAOYSA-N -1 3 308.381 3.773 50 0 DHAAHM O=C([O-])[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1Cl ZINC000170090714 563903686 /nfs/dbraw/zinc/90/36/86/563903686.db2.gz KCCFCFYPUMXURW-HNNXBMFYSA-N -1 3 324.207 3.779 50 0 DHAAHM O=C([N-]c1cc(F)ccc1F)c1ccc(Br)o1 ZINC000002871958 563913060 /nfs/dbraw/zinc/91/30/60/563913060.db2.gz XPRIAGJXYFGGLK-UHFFFAOYSA-N -1 3 302.074 3.573 50 0 DHAAHM COc1ccc2c(c1)[C@H](NCc1ccc([O-])c(F)c1)CCCO2 ZINC000095422885 563931414 /nfs/dbraw/zinc/93/14/14/563931414.db2.gz QCSBOGZHVZDIJQ-MRXNPFEDSA-N -1 3 317.360 3.543 50 0 DHAAHM Cc1ccc(-c2nc(C(=O)Nc3ccccc3[O-])cs2)o1 ZINC000031225027 563944365 /nfs/dbraw/zinc/94/43/65/563944365.db2.gz OOFQYUBEBFSDEB-UHFFFAOYSA-N -1 3 300.339 3.669 50 0 DHAAHM CN(Cc1ccccc1)Cn1nc(-c2cccs2)[n-]c1=S ZINC000008485362 563948889 /nfs/dbraw/zinc/94/88/89/563948889.db2.gz VORRZMDWVSGUHW-UHFFFAOYSA-N -1 3 316.455 3.759 50 0 DHAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2[O-])c1 ZINC000009111033 563952460 /nfs/dbraw/zinc/95/24/60/563952460.db2.gz ZVFKYCKYPDNLBH-UHFFFAOYSA-N -1 3 312.325 3.597 50 0 DHAAHM CCOc1cc(C(=O)Nc2ccccc2[O-])ccc1OC(F)F ZINC000009502028 563956421 /nfs/dbraw/zinc/95/64/21/563956421.db2.gz IMZUBHZEORJMEW-UHFFFAOYSA-N -1 3 323.295 3.645 50 0 DHAAHM Cc1csc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000010192358 563958424 /nfs/dbraw/zinc/95/84/24/563958424.db2.gz MXJWFQZSCVRBJX-UHFFFAOYSA-N -1 3 318.789 3.747 50 0 DHAAHM Cc1csc(NC(=O)c2cn[n-]c2-c2ccc(Cl)cc2)n1 ZINC000010192358 563958425 /nfs/dbraw/zinc/95/84/25/563958425.db2.gz MXJWFQZSCVRBJX-UHFFFAOYSA-N -1 3 318.789 3.747 50 0 DHAAHM CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(CO)c1[O-] ZINC000823009656 1020382732 /nfs/dbraw/zinc/38/27/32/1020382732.db2.gz UYADCQOQUPUUPO-UHFFFAOYSA-N -1 3 310.349 3.610 50 0 DHAAHM CC(C)(C)c1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000067495633 1036962778 /nfs/dbraw/zinc/96/27/78/1036962778.db2.gz GNDDEYLOTWHWDD-UHFFFAOYSA-N -1 3 324.475 3.842 50 0 DHAAHM CCOc1ccc(-c2n[nH]cc2-c2ccc(OC)cc2)c([O-])c1 ZINC000005817634 190622096 /nfs/dbraw/zinc/62/20/96/190622096.db2.gz NQHWIODXBPOLRU-UHFFFAOYSA-N -1 3 310.353 3.857 50 0 DHAAHM O=C([O-])CCCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000181556327 199316544 /nfs/dbraw/zinc/31/65/44/199316544.db2.gz RKUTXFGZFNFANE-QGZVFWFLSA-N -1 3 300.402 3.950 50 0 DHAAHM CCc1nnc([N-]C(=O)c2cc(-c3ccco3)cs2)s1 ZINC000072243230 191085925 /nfs/dbraw/zinc/08/59/25/191085925.db2.gz RYJAKDNKJCXDJE-UHFFFAOYSA-N -1 3 305.384 3.674 50 0 DHAAHM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]C1=NCCS1)(C2)C3 ZINC000004008550 181062368 /nfs/dbraw/zinc/06/23/68/181062368.db2.gz PRQXFYYLBQRHOT-UHFFFAOYSA-N -1 3 306.475 3.592 50 0 DHAAHM Cc1cc(N(C)Cc2ccccc2)c2cccc(C(=O)[O-])c2n1 ZINC000004226578 181086196 /nfs/dbraw/zinc/08/61/96/181086196.db2.gz GEDHSHSBTUYESN-UHFFFAOYSA-N -1 3 306.365 3.878 50 0 DHAAHM Cc1ccc([O-])c(-c2n[nH]cc2C(=O)c2ccc(Cl)cc2)c1 ZINC000004427491 181109150 /nfs/dbraw/zinc/10/91/50/181109150.db2.gz LFRVDQKLHNBCOD-UHFFFAOYSA-N -1 3 312.756 3.975 50 0 DHAAHM O=C([O-])CNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004529399 181120086 /nfs/dbraw/zinc/12/00/86/181120086.db2.gz XUXRXWLKUYPGMZ-UHFFFAOYSA-N -1 3 317.388 3.653 50 0 DHAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000004667019 181134113 /nfs/dbraw/zinc/13/41/13/181134113.db2.gz WZPVLISDYINILH-UHFFFAOYSA-N -1 3 307.390 3.924 50 0 DHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000005134668 181208075 /nfs/dbraw/zinc/20/80/75/181208075.db2.gz URLHOYUYFNBJLU-UHFFFAOYSA-N -1 3 313.781 3.842 50 0 DHAAHM CCc1ccc(C(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000005686780 181272042 /nfs/dbraw/zinc/27/20/42/181272042.db2.gz DJXPAXAALNTXFV-UHFFFAOYSA-N -1 3 313.382 3.602 50 0 DHAAHM CCc1ccc(C(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000005686780 181272044 /nfs/dbraw/zinc/27/20/44/181272044.db2.gz DJXPAXAALNTXFV-UHFFFAOYSA-N -1 3 313.382 3.602 50 0 DHAAHM CCc1ccc(C(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000005686780 181272047 /nfs/dbraw/zinc/27/20/47/181272047.db2.gz DJXPAXAALNTXFV-UHFFFAOYSA-N -1 3 313.382 3.602 50 0 DHAAHM Cc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1Cl ZINC000188936609 200324684 /nfs/dbraw/zinc/32/46/84/200324684.db2.gz MPNPAVYGZXQLGP-UHFFFAOYSA-N -1 3 312.760 3.686 50 0 DHAAHM O=C([O-])c1[nH]c2ccccc2c1CNCc1ccc(Cl)cc1 ZINC000006751592 181383022 /nfs/dbraw/zinc/38/30/22/181383022.db2.gz KQHQSBIPNKJMLP-UHFFFAOYSA-N -1 3 314.772 3.809 50 0 DHAAHM [O-]c1ccccc1-c1nc2c(c(=S)[nH]1)Cc1ccccc1O2 ZINC000015830869 182019497 /nfs/dbraw/zinc/01/94/97/182019497.db2.gz KFEGJNBZMQHUSN-UHFFFAOYSA-N -1 3 308.362 3.834 50 0 DHAAHM CN(C)C[P@](=O)([O-])CCn1c2ccccc2c2ccccc21 ZINC000019848242 182156780 /nfs/dbraw/zinc/15/67/80/182156780.db2.gz CYLCARBQQUNSTL-UHFFFAOYSA-N -1 3 316.341 3.584 50 0 DHAAHM CCc1noc(C)c1C(=O)[N-]c1nnc(C(CC)CC)s1 ZINC000024715749 182389028 /nfs/dbraw/zinc/38/90/28/182389028.db2.gz PLPSCVRSPCUUNN-UHFFFAOYSA-N -1 3 308.407 3.553 50 0 DHAAHM O=C1[N-]C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000040009548 183027137 /nfs/dbraw/zinc/02/71/37/183027137.db2.gz KAKZTHBUYPEQSE-NTEUORMPSA-N -1 3 317.266 3.516 50 0 DHAAHM Cc1cc(N2CCCCC2)nc2sc3c([n-]cnc3=S)c21 ZINC000071281849 331921512 /nfs/dbraw/zinc/92/15/12/331921512.db2.gz LBSBXYDBJARPSX-UHFFFAOYSA-N -1 3 316.455 3.827 50 0 DHAAHM O=C(c1ccc(O)cc1[O-])N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000333912861 336212276 /nfs/dbraw/zinc/21/22/76/336212276.db2.gz FPINCHAFMZOYAP-QGZVFWFLSA-N -1 3 323.392 3.508 50 0 DHAAHM CC(C)c1cc(C(=O)Nc2ccccc2[O-])nn1C(C)(C)C ZINC000045012429 563687786 /nfs/dbraw/zinc/68/77/86/563687786.db2.gz NPVMACANODFHCZ-UHFFFAOYSA-N -1 3 301.390 3.719 50 0 DHAAHM Cc1nc(CC(C)C)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000067957908 563950759 /nfs/dbraw/zinc/95/07/59/563950759.db2.gz RPEWHLXISHPIER-UHFFFAOYSA-N -1 3 322.459 3.631 50 0 DHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000123204 563220579 /nfs/dbraw/zinc/22/05/79/563220579.db2.gz ZYDXPXBPARYTSC-UHFFFAOYSA-N -1 3 311.790 3.540 50 0 DHAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000000207261 563230428 /nfs/dbraw/zinc/23/04/28/563230428.db2.gz QOMPBGZWCOOVFK-UHFFFAOYSA-N -1 3 319.426 3.811 50 0 DHAAHM Cc1ccc(C(=O)CSc2nnc(-c3ccco3)[n-]2)cc1C ZINC000000285720 563235932 /nfs/dbraw/zinc/23/59/32/563235932.db2.gz TWPWIOPOTYHYES-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM Cc1ccc(C(=O)CSc2nc(-c3ccco3)n[n-]2)cc1C ZINC000000285720 563235933 /nfs/dbraw/zinc/23/59/33/563235933.db2.gz TWPWIOPOTYHYES-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM Cc1ccc(C(=O)CSc2n[n-]c(-c3ccco3)n2)cc1C ZINC000000285720 563235934 /nfs/dbraw/zinc/23/59/34/563235934.db2.gz TWPWIOPOTYHYES-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccccc1 ZINC000000344683 563242424 /nfs/dbraw/zinc/24/24/24/563242424.db2.gz VAIYLVSTCHKPAY-UHFFFAOYSA-N -1 3 302.182 3.794 50 0 DHAAHM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000000365122 563245846 /nfs/dbraw/zinc/24/58/46/563245846.db2.gz BPPSKNAPHRLTSB-NSHDSACASA-N -1 3 305.761 3.760 50 0 DHAAHM COc1ccc(-c2n[nH]cc2Oc2ccccc2F)c([O-])c1 ZINC000000390346 563249279 /nfs/dbraw/zinc/24/92/79/563249279.db2.gz VKAICTDRNGLWLD-UHFFFAOYSA-N -1 3 300.289 3.722 50 0 DHAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000000975867 563273078 /nfs/dbraw/zinc/27/30/78/563273078.db2.gz ORRXLFZJXFPOJA-KPKJPENVSA-N -1 3 305.742 3.924 50 0 DHAAHM CCCCc1nnc([N-]C(=O)c2cc3ccccc3o2)s1 ZINC000001783179 563295988 /nfs/dbraw/zinc/29/59/88/563295988.db2.gz UJJGLGUEBHRHRO-UHFFFAOYSA-N -1 3 301.371 3.879 50 0 DHAAHM COc1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000008906149 563351524 /nfs/dbraw/zinc/35/15/24/563351524.db2.gz RUMMFIHJOYAVLB-UHFFFAOYSA-N -1 3 305.761 3.626 50 0 DHAAHM O=C([O-])c1cccc(-c2ccc(CNCCc3ccccc3)o2)c1 ZINC000013693392 563386246 /nfs/dbraw/zinc/38/62/46/563386246.db2.gz GHIUIYKYITUMQS-UHFFFAOYSA-N -1 3 321.376 3.977 50 0 DHAAHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2C(C)C)CC)n1 ZINC000359522527 563401852 /nfs/dbraw/zinc/40/18/52/563401852.db2.gz FWIZWHDRSKDYDH-RAXLEYEMSA-N -1 3 300.406 3.863 50 0 DHAAHM O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1[O-] ZINC000029672868 563435165 /nfs/dbraw/zinc/43/51/65/563435165.db2.gz SECFROHRBYESHD-UHFFFAOYSA-N -1 3 311.312 3.721 50 0 DHAAHM CCOc1cccc(CN(C(=O)c2ccccc2[O-])C2CC2)c1 ZINC000055053055 563471176 /nfs/dbraw/zinc/47/11/76/563471176.db2.gz ISDDWQDETNUSNK-UHFFFAOYSA-N -1 3 311.381 3.596 50 0 DHAAHM CCc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c([O-])c2c1 ZINC000000248771 563581825 /nfs/dbraw/zinc/58/18/25/563581825.db2.gz LABSXPQPPGNCNE-UHFFFAOYSA-N -1 3 305.377 3.938 50 0 DHAAHM O=C(Cc1coc2ccc3ccccc3c12)Nc1ncccc1[O-] ZINC000048234550 563693525 /nfs/dbraw/zinc/69/35/25/563693525.db2.gz YNQDCDWHSTXSQN-UHFFFAOYSA-N -1 3 318.332 3.868 50 0 DHAAHM CO[N-]C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012901442 563853323 /nfs/dbraw/zinc/85/33/23/563853323.db2.gz MYADYJISDKRMRA-UHFFFAOYSA-N -1 3 307.434 3.597 50 0 DHAAHM COc1cccc2c1CC[C@@H]2[N-]c1nc(-c2ccccc2)no1 ZINC000675295441 563912362 /nfs/dbraw/zinc/91/23/62/563912362.db2.gz NKTPFSLCTUAEOX-HNNXBMFYSA-N -1 3 307.353 3.845 50 0 DHAAHM CC(C)c1csc2[n-]c([C@H]3CSCCS3)nc(=O)c12 ZINC000079913463 563912774 /nfs/dbraw/zinc/91/27/74/563912774.db2.gz LZEKTAVILUBCNL-SECBINFHSA-N -1 3 312.485 3.629 50 0 DHAAHM Cc1ccc(F)cc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000252500098 563916380 /nfs/dbraw/zinc/91/63/80/563916380.db2.gz SNCLXPDMYPMMKT-UHFFFAOYSA-N -1 3 313.781 3.729 50 0 DHAAHM Cc1cc([O-])ccc1C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000095976471 563933696 /nfs/dbraw/zinc/93/36/96/563933696.db2.gz DCQSAWJFVBMDAY-UHFFFAOYSA-N -1 3 313.372 3.691 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](C(C)C)S1 ZINC000096118038 563935531 /nfs/dbraw/zinc/93/55/31/563935531.db2.gz SEOCZJVLWDBOQT-AAEUAGOBSA-N -1 3 323.462 3.800 50 0 DHAAHM CCN(CC)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000031906836 563945040 /nfs/dbraw/zinc/94/50/40/563945040.db2.gz CXIJJQKIGDHKNN-UHFFFAOYSA-N -1 3 324.384 3.768 50 0 DHAAHM CCN(CC)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000031906836 563945041 /nfs/dbraw/zinc/94/50/41/563945041.db2.gz CXIJJQKIGDHKNN-UHFFFAOYSA-N -1 3 324.384 3.768 50 0 DHAAHM Cc1cccc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)c1 ZINC000013626228 568412569 /nfs/dbraw/zinc/41/25/69/568412569.db2.gz AFQVFKXAMHQIPR-UHFFFAOYSA-N -1 3 308.337 3.668 50 0 DHAAHM [O-]c1ccccc1-c1nc(-c2cc(Br)cs2)no1 ZINC000071306173 568412910 /nfs/dbraw/zinc/41/29/10/568412910.db2.gz MNKUCZDZXYZEMQ-UHFFFAOYSA-N -1 3 323.171 3.933 50 0 DHAAHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H]1C1CCCCC1 ZINC000071823309 568419882 /nfs/dbraw/zinc/41/98/82/568419882.db2.gz RSBBAXXCBTUQQU-GOSISDBHSA-N -1 3 324.424 3.713 50 0 DHAAHM CCOc1ccc(-c2n[nH]cc2-c2ccccc2OC)c([O-])c1 ZINC000005817635 1026416336 /nfs/dbraw/zinc/41/63/36/1026416336.db2.gz UFMJMIJPZNNKMI-UHFFFAOYSA-N -1 3 310.353 3.857 50 0 DHAAHM O=c1nc([C@H]2CSCCS2)[n-]c2sc3ccccc3c21 ZINC000079927922 1027011032 /nfs/dbraw/zinc/01/10/32/1027011032.db2.gz ASINOZDPADENDB-SNVBAGLBSA-N -1 3 320.464 3.659 50 0 DHAAHM O=C1[N-]C(=O)C(=CNc2cccc3ccccc32)c2ccccc21 ZINC000102211632 1031849407 /nfs/dbraw/zinc/84/94/07/1031849407.db2.gz MTSBOPWMEAMOFF-ATVHPVEESA-N -1 3 314.344 3.563 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@@H](CC(C)C)S1 ZINC000095475606 185373125 /nfs/dbraw/zinc/37/31/25/185373125.db2.gz WGEVVVWEPNHSJC-GFCCVEGCSA-N -1 3 309.435 3.824 50 0 DHAAHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000079050021 185149157 /nfs/dbraw/zinc/14/91/57/185149157.db2.gz WGONLIGRCSWPNG-FQEVSTJZSA-N -1 3 309.409 3.877 50 0 DHAAHM O=C([O-])c1ccccc1[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000072159101 191061836 /nfs/dbraw/zinc/06/18/36/191061836.db2.gz VFNULNZFKBVEAC-NADMHLTPSA-N -1 3 307.393 3.888 50 0 DHAAHM Cc1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)no1 ZINC000003908277 181056746 /nfs/dbraw/zinc/05/67/46/181056746.db2.gz VRCVXGFLMTWPJV-UHFFFAOYSA-N -1 3 303.705 3.544 50 0 DHAAHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000073407351 191314276 /nfs/dbraw/zinc/31/42/76/191314276.db2.gz XINAGVMBRPGMPT-MNOVXSKESA-N -1 3 322.286 3.548 50 0 DHAAHM Clc1ccccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000005016667 181191158 /nfs/dbraw/zinc/19/11/58/181191158.db2.gz GJISZRRKNNYNAY-UHFFFAOYSA-N -1 3 302.790 3.812 50 0 DHAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OC)cc2[O-])cc1 ZINC000005123816 181206546 /nfs/dbraw/zinc/20/65/46/181206546.db2.gz XHDYQCVCIIVRJV-UHFFFAOYSA-N -1 3 310.353 3.775 50 0 biogenic DHAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2[O-])cc1 ZINC000018167494 182095654 /nfs/dbraw/zinc/09/56/54/182095654.db2.gz AVYZODVETQNZRF-UHFFFAOYSA-N -1 3 312.325 3.592 50 0 DHAAHM Cc1[nH]n(Cc2ccccc2)c2nc(-c3ccc(C)cc3[O-])nc1-2 ZINC000019111560 182104503 /nfs/dbraw/zinc/10/45/03/182104503.db2.gz DBIMKLROQITLRS-UHFFFAOYSA-N -1 3 318.380 3.797 50 0 DHAAHM COc1ccc2nc(C)cc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000019702916 182137757 /nfs/dbraw/zinc/13/77/57/182137757.db2.gz HIIKTNLDOPHXLM-UHFFFAOYSA-N -1 3 308.337 3.994 50 0 biogenic DHAAHM O=c1nc(-c2ccccn2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000020369436 182212502 /nfs/dbraw/zinc/21/25/02/182212502.db2.gz CBDRMTDQFNGIRZ-UHFFFAOYSA-N -1 3 323.352 3.853 50 0 DHAAHM Cc1ccc(NC(=O)c2cc(-c3ccccn3)[n-]n2)c(Cl)c1 ZINC000021648117 182281914 /nfs/dbraw/zinc/28/19/14/182281914.db2.gz HNEQWCIGBVSLOF-UHFFFAOYSA-N -1 3 312.760 3.686 50 0 DHAAHM CCCOc1ccccc1C(=O)[N-]c1noc(-c2ccccc2)n1 ZINC000021800445 182290433 /nfs/dbraw/zinc/29/04/33/182290433.db2.gz XGFGOTZRJBNWHR-UHFFFAOYSA-N -1 3 323.352 3.778 50 0 DHAAHM CC(=O)Nc1c([O-])cc2c3c(cccc13)C(=O)c1ccccc1-2 ZINC000022636371 182329099 /nfs/dbraw/zinc/32/90/99/182329099.db2.gz IQCJKAFVYZAUNK-UHFFFAOYSA-N -1 3 303.317 3.715 50 0 DHAAHM Cc1ccccc1-c1nn2c(nnc2-c2cc(C(C)C)n[n-]2)s1 ZINC000022502104 182323805 /nfs/dbraw/zinc/32/38/05/182323805.db2.gz VGSYGNLQGBYLMY-UHFFFAOYSA-N -1 3 324.413 3.675 50 0 DHAAHM COc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c([O-])c1 ZINC000023644035 182365301 /nfs/dbraw/zinc/36/53/01/182365301.db2.gz LYCDIRYMFOTKGQ-UHFFFAOYSA-N -1 3 321.376 3.826 50 0 DHAAHM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(Cl)cc1Cl ZINC000058331769 184106864 /nfs/dbraw/zinc/10/68/64/184106864.db2.gz ZCGYWOHGUBBOGD-UHFFFAOYSA-N -1 3 303.120 3.990 50 0 DHAAHM CC(C)c1cc(C(=O)N2CCC[C@H](O)CC2)c([O-])c(C(C)C)c1 ZINC000295053012 334216106 /nfs/dbraw/zinc/21/61/06/334216106.db2.gz XYVBJXQTWLSBJN-HNNXBMFYSA-N -1 3 319.445 3.626 50 0 DHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000000270118 563234742 /nfs/dbraw/zinc/23/47/42/563234742.db2.gz ZLFGJXVUPJHOSQ-UHFFFAOYSA-N -1 3 319.426 3.695 50 0 DHAAHM O=S(=O)([N-]c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000000458917 563258422 /nfs/dbraw/zinc/25/84/22/563258422.db2.gz GFQFFNGYQVJSII-UHFFFAOYSA-N -1 3 319.279 3.645 50 0 DHAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000002771779 563313050 /nfs/dbraw/zinc/31/30/50/563313050.db2.gz LUKOJNFGLBAXJP-UHFFFAOYSA-N -1 3 322.238 3.533 50 0 DHAAHM Cc1[nH]c(=S)[n-]c(=O)c1Cc1ccc(Cl)c(Cl)c1 ZINC000013468393 563381844 /nfs/dbraw/zinc/38/18/44/563381844.db2.gz QPHYMRZMYBHBSX-UHFFFAOYSA-N -1 3 301.198 3.639 50 0 DHAAHM Cc1nnc([N-]C(=O)c2ccc(-c3cccs3)cc2F)s1 ZINC000030561182 563437656 /nfs/dbraw/zinc/43/76/56/563437656.db2.gz SFPDSGRLIYKLQN-UHFFFAOYSA-N -1 3 319.386 3.966 50 0 DHAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)on1 ZINC000014137243 563560219 /nfs/dbraw/zinc/56/02/19/563560219.db2.gz IDLOUURNHYQDEF-UHFFFAOYSA-N -1 3 321.308 3.637 50 0 DHAAHM O=C1CS[C@@H](c2ccccc2F)N1c1cc(Cl)ccc1[O-] ZINC000000424042 563611981 /nfs/dbraw/zinc/61/19/81/563611981.db2.gz CTEPPQNTKSEGLH-HNNXBMFYSA-N -1 3 323.776 3.963 50 0 DHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccccc2)C1 ZINC000102740924 563661895 /nfs/dbraw/zinc/66/18/95/563661895.db2.gz QKRDDCPLNCZFCN-CQSZACIVSA-N -1 3 310.357 3.941 50 0 DHAAHM Cc1noc(Cl)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000049449103 563701688 /nfs/dbraw/zinc/70/16/88/563701688.db2.gz IMPHDNOEMLDIKD-UHFFFAOYSA-N -1 3 315.156 3.567 50 0 DHAAHM O=S(=O)([N-]c1ccccc1Cl)c1cccc2cccnc21 ZINC000000423536 563723918 /nfs/dbraw/zinc/72/39/18/563723918.db2.gz HIMFAQJUFCQFKA-UHFFFAOYSA-N -1 3 318.785 3.689 50 0 DHAAHM Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c([O-])c1 ZINC000028199071 563744164 /nfs/dbraw/zinc/74/41/64/563744164.db2.gz CZBHOGMBUHHDMQ-UHFFFAOYSA-N -1 3 309.409 3.796 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1cc(Br)ccc1F ZINC000012729256 563813659 /nfs/dbraw/zinc/81/36/59/563813659.db2.gz BBWRUBIASODXAE-UHFFFAOYSA-N -1 3 310.122 3.546 50 0 DHAAHM COCCn1cc(C(=O)Nc2ccc(C)cc2[O-])c2ccccc21 ZINC000084146173 563823861 /nfs/dbraw/zinc/82/38/61/563823861.db2.gz PTOGDPVBENFPFH-UHFFFAOYSA-N -1 3 324.380 3.554 50 0 DHAAHM C[C@H](Oc1ccccc1)C(=O)[N-]c1cc(-c2ccsc2)no1 ZINC000065153186 563900352 /nfs/dbraw/zinc/90/03/52/563900352.db2.gz GDFKARWNVLPULX-NSHDSACASA-N -1 3 314.366 3.809 50 0 DHAAHM Clc1ccc(-c2n[n-]cc2-c2nnc(-c3ccncc3)o2)cc1 ZINC000170637965 563913783 /nfs/dbraw/zinc/91/37/83/563913783.db2.gz HTCTUUIFZKIQEZ-UHFFFAOYSA-N -1 3 323.743 3.842 50 0 DHAAHM Clc1ccc(-c2[n-]ncc2-c2nnc(-c3ccncc3)o2)cc1 ZINC000170637965 563913784 /nfs/dbraw/zinc/91/37/84/563913784.db2.gz HTCTUUIFZKIQEZ-UHFFFAOYSA-N -1 3 323.743 3.842 50 0 DHAAHM Cc1cc([N-]C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)on1 ZINC000252504774 563916395 /nfs/dbraw/zinc/91/63/95/563916395.db2.gz VKYQLKVXVMLSRM-LLVKDONJSA-N -1 3 321.327 3.673 50 0 DHAAHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc[nH]c1C1CC1 ZINC000253415241 563924992 /nfs/dbraw/zinc/92/49/92/563924992.db2.gz NROBMTCBOMUSMK-UHFFFAOYSA-N -1 3 310.275 3.869 50 0 DHAAHM CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1[O-] ZINC000002315219 563925844 /nfs/dbraw/zinc/92/58/44/563925844.db2.gz LCEJKPPKBXGTDA-UHFFFAOYSA-N -1 3 308.381 3.824 50 0 DHAAHM Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC000007990441 563946154 /nfs/dbraw/zinc/94/61/54/563946154.db2.gz NGYXDSIUEKUEMJ-UHFFFAOYSA-N -1 3 311.259 3.852 50 0 DHAAHM CC(C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000263511303 563946419 /nfs/dbraw/zinc/94/64/19/563946419.db2.gz NMFUDGFVNQDWSR-UHFFFAOYSA-N -1 3 309.715 3.654 50 0 DHAAHM CCCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000008584612 563949121 /nfs/dbraw/zinc/94/91/21/563949121.db2.gz DGJKWPHFTYKBHU-UHFFFAOYSA-N -1 3 314.414 3.803 50 0 aggregator DHAAHM CC[C@@H](c1nnc([N-]C(=O)c2ccco2)s1)c1ccccc1 ZINC000008766828 563950712 /nfs/dbraw/zinc/95/07/12/563950712.db2.gz RQJHXIUERPEMPR-GFCCVEGCSA-N -1 3 313.382 3.925 50 0 DHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)c(Cl)[nH]1 ZINC000129456879 1037554831 /nfs/dbraw/zinc/55/48/31/1037554831.db2.gz UKWOPQQVFNBSNX-UHFFFAOYSA-N -1 3 305.548 3.933 50 0 DHAAHM C[C@H](NC(=O)c1cc(-c2ccccc2[O-])on1)c1ccccc1 ZINC000003908545 181056768 /nfs/dbraw/zinc/05/67/68/181056768.db2.gz OZJRVHZDXNFANG-LBPRGKRZSA-N -1 3 308.337 3.538 50 0 DHAAHM Cc1ccc(-c2cc([N-]C(=O)COc3ccccc3C)on2)cc1 ZINC000005482795 181248451 /nfs/dbraw/zinc/24/84/51/181248451.db2.gz OXKJTQCBLWASBU-UHFFFAOYSA-N -1 3 322.364 3.976 50 0 DHAAHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1OC(F)F ZINC000006454123 181342021 /nfs/dbraw/zinc/34/20/21/181342021.db2.gz XFIZCTBYRBPSKN-UHFFFAOYSA-N -1 3 323.295 3.563 50 0 DHAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccccc2O)no1 ZINC000006873266 181399365 /nfs/dbraw/zinc/39/93/65/181399365.db2.gz JQNBUEBGLDGUBJ-UHFFFAOYSA-N -1 3 316.263 3.578 50 0 DHAAHM CC[C@H]1CCc2sc(C(=O)Nc3ncccc3[O-])cc2C1 ZINC000021901724 182297635 /nfs/dbraw/zinc/29/76/35/182297635.db2.gz HEUKFHQICAKYLA-JTQLQIEISA-N -1 3 302.399 3.616 50 0 DHAAHM CN(C)Cc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000024811915 182391407 /nfs/dbraw/zinc/39/14/07/182391407.db2.gz FWUWEFXZLYLVBQ-UHFFFAOYSA-N -1 3 320.392 3.859 50 0 DHAAHM O=c1cc(-c2ccccc2)nc(Nc2ccc(F)c(Cl)c2)[n-]1 ZINC000041596450 183207814 /nfs/dbraw/zinc/20/78/14/183207814.db2.gz MEWGJRUZKMVRNM-UHFFFAOYSA-N -1 3 315.735 3.973 50 0 DHAAHM O=C(Nc1ccc2ccccc2n1)c1c[n-]nc1-c1ccccc1 ZINC000058406549 184114090 /nfs/dbraw/zinc/11/40/90/184114090.db2.gz WHVTVXGWHWRJQC-UHFFFAOYSA-N -1 3 314.348 3.877 50 0 DHAAHM CC(C)[C@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000063618620 184285794 /nfs/dbraw/zinc/28/57/94/184285794.db2.gz PHRZVRYZLVGKQK-CYBMUJFWSA-N -1 3 311.385 3.702 50 0 DHAAHM COc1ccc(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)c([O-])c1 ZINC000065385840 184333249 /nfs/dbraw/zinc/33/32/49/184333249.db2.gz RJSOPSFLIHEMFS-CYBMUJFWSA-N -1 3 317.385 3.681 50 0 DHAAHM CC(C)(C)c1csc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000299745218 526831996 /nfs/dbraw/zinc/83/19/96/526831996.db2.gz WUKPESANBYBEGQ-UPJWGTAASA-N -1 3 322.474 3.658 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000000037395 563211327 /nfs/dbraw/zinc/21/13/27/563211327.db2.gz FVNKTTNFZIEPLK-UHFFFAOYSA-N -1 3 313.378 3.649 50 0 DHAAHM CSc1cccc(NC(=O)C(=S)[N-]C2CCCCC2)c1 ZINC000000172891 563227584 /nfs/dbraw/zinc/22/75/84/563227584.db2.gz GAOMUURXBLVYKI-UHFFFAOYSA-N -1 3 308.472 3.597 50 0 DHAAHM O=S(=O)([N-]C1CCCCC1)c1cc(Cl)ccc1Cl ZINC000000366497 563246032 /nfs/dbraw/zinc/24/60/32/563246032.db2.gz YHZGWKIBDJJAQG-UHFFFAOYSA-N -1 3 308.230 3.604 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000000475772 563261703 /nfs/dbraw/zinc/26/17/03/563261703.db2.gz CGGGPXHFIJTBMK-UHFFFAOYSA-N -1 3 319.426 3.928 50 0 DHAAHM CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000010475227 563357707 /nfs/dbraw/zinc/35/77/07/563357707.db2.gz YXTWBBYNKMPKAP-UHFFFAOYSA-N -1 3 319.788 3.727 50 0 DHAAHM Cc1nsc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)n1 ZINC000027663201 563429179 /nfs/dbraw/zinc/42/91/79/563429179.db2.gz YREONIMTDIWTJG-UHFFFAOYSA-N -1 3 307.762 3.807 50 0 DHAAHM COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1[O-] ZINC000000367844 563590696 /nfs/dbraw/zinc/59/06/96/563590696.db2.gz GUALJSOFFKGDTD-UHFFFAOYSA-N -1 3 312.152 3.960 50 0 DHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000007050598 563625349 /nfs/dbraw/zinc/62/53/49/563625349.db2.gz JFDSDXIOHKKBCH-UHFFFAOYSA-N -1 3 301.411 3.593 50 0 DHAAHM CCOC(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000008242096 563719620 /nfs/dbraw/zinc/71/96/20/563719620.db2.gz FXTZNLIPQQMTOM-UHFFFAOYSA-N -1 3 314.341 3.521 50 0 DHAAHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ncccc1[O-] ZINC000012644988 563808690 /nfs/dbraw/zinc/80/86/90/563808690.db2.gz OFSHYICGYYHBSI-UHFFFAOYSA-N -1 3 304.349 3.635 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(C)c1 ZINC000001472316 563838758 /nfs/dbraw/zinc/83/87/58/563838758.db2.gz SINQWQGSNLHLHG-UHFFFAOYSA-N -1 3 315.438 3.901 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C ZINC000252496639 563916230 /nfs/dbraw/zinc/91/62/30/563916230.db2.gz PNPJKMGBOZCQFL-UHFFFAOYSA-N -1 3 311.353 3.691 50 0 DHAAHM Cc1ccc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)sc2c1 ZINC000007785610 563919323 /nfs/dbraw/zinc/91/93/23/563919323.db2.gz KHUGYQIAARFWDV-UHFFFAOYSA-N -1 3 318.423 3.643 50 0 DHAAHM Cc1ccsc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C(C)C ZINC000079490593 563930423 /nfs/dbraw/zinc/93/04/23/563930423.db2.gz LEXYWPPRIKJAMO-GFCCVEGCSA-N -1 3 323.443 3.964 50 0 DHAAHM Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c([O-])c1 ZINC000031287419 563944400 /nfs/dbraw/zinc/94/44/00/563944400.db2.gz ZBEXHOOREFGZLE-UHFFFAOYSA-N -1 3 324.355 3.520 50 0 DHAAHM [O-]c1ccc(Br)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000002472308 1021670401 /nfs/dbraw/zinc/67/04/01/1021670401.db2.gz TVWHNTIQUFAXKP-UHFFFAOYSA-N -1 3 324.565 3.746 50 0 DHAAHM CC(=NNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000254696005 1023994222 /nfs/dbraw/zinc/99/42/22/1023994222.db2.gz DHBMCQYHEXNGGD-UHFFFAOYSA-N -1 3 323.179 3.853 50 0 DHAAHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667100 181133969 /nfs/dbraw/zinc/13/39/69/181133969.db2.gz AEXPCUOCUOTZML-BXKDBHETSA-N -1 3 322.257 3.850 50 0 DHAAHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667099 181134272 /nfs/dbraw/zinc/13/42/72/181134272.db2.gz AEXPCUOCUOTZML-CABZTGNLSA-N -1 3 322.257 3.850 50 0 DHAAHM CCCCCc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000005617034 181264033 /nfs/dbraw/zinc/26/40/33/181264033.db2.gz GOPOFHZFAHKGBO-UHFFFAOYSA-N -1 3 311.357 3.801 50 0 DHAAHM O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(Cl)s1 ZINC000005771210 181282220 /nfs/dbraw/zinc/28/22/20/181282220.db2.gz BNDKWXUYUYILLZ-UHFFFAOYSA-N -1 3 322.238 3.533 50 0 DHAAHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1 ZINC000006316287 181329530 /nfs/dbraw/zinc/32/95/30/181329530.db2.gz YRHHAYWCJOEMOD-UHFFFAOYSA-N -1 3 323.801 3.652 50 0 DHAAHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000016780029 182060798 /nfs/dbraw/zinc/06/07/98/182060798.db2.gz OEZCACRFSPZUOV-BXKDBHETSA-N -1 3 322.257 3.850 50 0 DHAAHM [O-]c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000020432762 182217399 /nfs/dbraw/zinc/21/73/99/182217399.db2.gz YHLOLPKOYIXRDP-UHFFFAOYSA-N -1 3 317.142 3.872 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1cccnc1Oc1ccccc1 ZINC000024926339 182395093 /nfs/dbraw/zinc/39/50/93/182395093.db2.gz UPHGORZXFQRXPF-UHFFFAOYSA-N -1 3 306.321 3.832 50 0 DHAAHM COc1ccc(C(=O)N(Cc2ccco2)[C@@H](C)C(C)C)c([O-])c1 ZINC000065385842 184333152 /nfs/dbraw/zinc/33/31/52/184333152.db2.gz RJSOPSFLIHEMFS-ZDUSSCGKSA-N -1 3 317.385 3.681 50 0 DHAAHM Cc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1[O-] ZINC000032967389 257211064 /nfs/dbraw/zinc/21/10/64/257211064.db2.gz AQJNIUQSVJIMET-UHFFFAOYSA-N -1 3 319.788 3.505 50 0 DHAAHM CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2[O-])cc1 ZINC000000456005 563257760 /nfs/dbraw/zinc/25/77/60/563257760.db2.gz RYBNTXXFPUPGCB-UHFFFAOYSA-N -1 3 314.410 3.642 50 0 DHAAHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002882839 563316901 /nfs/dbraw/zinc/31/69/01/563316901.db2.gz BQNLBQYLFWXGRM-UHFFFAOYSA-N -1 3 323.389 3.805 50 0 DHAAHM O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1ccc([O-])cc1 ZINC000027533605 563428059 /nfs/dbraw/zinc/42/80/59/563428059.db2.gz JSKXFVGQQSRPDX-GSPDUGTFSA-N -1 3 313.334 3.782 50 0 DHAAHM CCC(C)(C)C1CCC(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000030225236 563437066 /nfs/dbraw/zinc/43/70/66/563437066.db2.gz FEVLNMYBAVNSAQ-UHFFFAOYSA-N -1 3 314.433 3.683 50 0 DHAAHM COc1ccc(C(=O)c2c(C)oc3ccc([O-])cc32)c(OC)c1 ZINC000000446164 563447665 /nfs/dbraw/zinc/44/76/65/563447665.db2.gz AMFKGJAGBOHOBA-UHFFFAOYSA-N -1 3 312.321 3.695 50 0 biogenic DHAAHM CCOc1ccccc1CN(CC)Cc1ccccc1C(=O)[O-] ZINC000055120553 563471916 /nfs/dbraw/zinc/47/19/16/563471916.db2.gz ZBXQOWWGUSGQTQ-UHFFFAOYSA-N -1 3 313.397 3.806 50 0 DHAAHM CN(C)[C@@H](C(=O)[O-])c1cccc2c1Sc1ccccc1S2 ZINC000055225966 563472623 /nfs/dbraw/zinc/47/26/23/563472623.db2.gz DTEOQYRVEJZXAY-CQSZACIVSA-N -1 3 317.435 3.990 50 0 DHAAHM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ncccc1[O-] ZINC000084563103 563560762 /nfs/dbraw/zinc/56/07/62/563560762.db2.gz IAJUJCUZUCIHMI-UHFFFAOYSA-N -1 3 308.337 3.619 50 0 DHAAHM Cc1cccc(O[C@H](C)C(=O)[N-]c2onc3c2CCCC3)c1C ZINC000011914759 563601729 /nfs/dbraw/zinc/60/17/29/563601729.db2.gz MWVSRLJIJLKXDX-CYBMUJFWSA-N -1 3 314.385 3.576 50 0 DHAAHM CCc1ccc(O[C@@H](C)C(=O)[N-]c2onc3c2CCCC3)cc1 ZINC000011914853 563601881 /nfs/dbraw/zinc/60/18/81/563601881.db2.gz ZPLMMLYSYIOBCZ-LBPRGKRZSA-N -1 3 314.385 3.522 50 0 DHAAHM Cc1cc(Cl)ccc1OCC(=O)[N-]c1onc2c1CCCC2 ZINC000011915004 563602304 /nfs/dbraw/zinc/60/23/04/563602304.db2.gz LMVVNDFPTKWEIJ-UHFFFAOYSA-N -1 3 320.776 3.533 50 0 DHAAHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003151163 563638725 /nfs/dbraw/zinc/63/87/25/563638725.db2.gz NSGNFWAKUDGARC-UHFFFAOYSA-N -1 3 319.426 3.975 50 0 DHAAHM [O-]c1ccccc1Oc1c(F)c(F)nc(N2CCCC2)c1F ZINC000000552743 563670050 /nfs/dbraw/zinc/67/00/50/563670050.db2.gz SADSOCDJWLWQQJ-UHFFFAOYSA-N -1 3 310.275 3.597 50 0 DHAAHM CCCc1nnc([N-]C(=O)c2oc3ccccc3c2C)s1 ZINC000007981172 563718631 /nfs/dbraw/zinc/71/86/31/563718631.db2.gz UICZDWVFOVHVFQ-UHFFFAOYSA-N -1 3 301.371 3.798 50 0 DHAAHM O=C([O-])CCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000116339427 563802968 /nfs/dbraw/zinc/80/29/68/563802968.db2.gz ISHZZMZPKCMSKS-OAHLLOKOSA-N -1 3 307.440 3.622 50 0 DHAAHM COc1ccc(-c2cc(-c3cc(F)ccc3[O-])n[nH]2)cc1OC ZINC000013127500 563901660 /nfs/dbraw/zinc/90/16/60/563901660.db2.gz ZSHCFIVVHFVOHS-UHFFFAOYSA-N -1 3 314.316 3.606 50 0 DHAAHM CCCCCc1nnc(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000036710043 563903734 /nfs/dbraw/zinc/90/37/34/563903734.db2.gz MZYRYDBDBFNTKV-UHFFFAOYSA-N -1 3 305.403 3.537 50 0 DHAAHM O=C([N-]c1nc(-c2ccc[nH]2)cs1)c1c(F)ccc(F)c1F ZINC000170598923 563907368 /nfs/dbraw/zinc/90/73/68/563907368.db2.gz PJYYHWCRQGJNHJ-UHFFFAOYSA-N -1 3 323.299 3.808 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2cccc(O)c2)S1 ZINC000071285030 563909036 /nfs/dbraw/zinc/90/90/36/563909036.db2.gz UAARDSHNBVRMKH-ZDUSSCGKSA-N -1 3 303.387 3.761 50 0 DHAAHM [O-]c1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)cc1 ZINC000002236503 563920800 /nfs/dbraw/zinc/92/08/00/563920800.db2.gz MXVPANBPZWPQGO-MRVPVSSYSA-N -1 3 317.197 3.728 50 0 DHAAHM O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc([O-])cc1 ZINC000002404289 563927884 /nfs/dbraw/zinc/92/78/84/563927884.db2.gz IWBITHZHSGKLPU-ZROIWOOFSA-N -1 3 315.325 3.772 50 0 DHAAHM Cc1ccc([O-])c(CN(C)Cc2ccccc2C(F)(F)F)n1 ZINC000095982439 563933891 /nfs/dbraw/zinc/93/38/91/563933891.db2.gz NTQOXIOSVPCAKM-UHFFFAOYSA-N -1 3 310.319 3.746 50 0 DHAAHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 ZINC000031802836 563944814 /nfs/dbraw/zinc/94/48/14/563944814.db2.gz UZIGGDJSKYKAKD-UHFFFAOYSA-N -1 3 319.364 3.718 50 0 DHAAHM Cc1ccc2c(cccc2NC(=O)c2cc(-c3ccco3)[n-]n2)n1 ZINC000038488638 563948186 /nfs/dbraw/zinc/94/81/86/563948186.db2.gz PEYNCSINNCBDKN-UHFFFAOYSA-N -1 3 318.336 3.779 50 0 DHAAHM Cc1ccc2c(cccc2NC(=O)c2cc(-c3ccco3)n[n-]2)n1 ZINC000038488638 563948187 /nfs/dbraw/zinc/94/81/87/563948187.db2.gz PEYNCSINNCBDKN-UHFFFAOYSA-N -1 3 318.336 3.779 50 0 DHAAHM Cc1ccc(CN(CCCO)Cc2cccc([O-])c2Cl)cc1 ZINC000952967835 1032679787 /nfs/dbraw/zinc/67/97/87/1032679787.db2.gz LVTDYOYWQDGZFG-UHFFFAOYSA-N -1 3 319.832 3.739 50 0 DHAAHM Cc1nc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n(CC(C)C)c1C ZINC000155905279 186122019 /nfs/dbraw/zinc/12/20/19/186122019.db2.gz FMXDYKJLZVBSHY-ZDUSSCGKSA-N -1 3 320.462 3.813 50 0 DHAAHM O=C([N-]c1nnc(-c2cccs2)o1)c1ccc(Cl)s1 ZINC000004330352 181098587 /nfs/dbraw/zinc/09/85/87/181098587.db2.gz XHMHUXBZUTWVON-UHFFFAOYSA-N -1 3 311.775 3.765 50 0 DHAAHM COc1cc(C)c(NC(=O)C(=S)[N-]C2CCCCC2)cc1C ZINC000004833731 181159368 /nfs/dbraw/zinc/15/93/68/181159368.db2.gz ZUONUTIAPIFYBN-UHFFFAOYSA-N -1 3 320.458 3.500 50 0 DHAAHM CCN(Cc1cccs1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000095978063 193472703 /nfs/dbraw/zinc/47/27/03/193472703.db2.gz SIHJGGGHKCBQJR-UHFFFAOYSA-N -1 3 315.438 3.995 50 0 DHAAHM C[C@@H](Cc1nnc([N-]C(=O)c2ccco2)s1)c1ccccc1 ZINC000009095407 181601059 /nfs/dbraw/zinc/60/10/59/181601059.db2.gz GGRLFUPCDHEXMD-NSHDSACASA-N -1 3 313.382 3.730 50 0 DHAAHM COc1ccc2nc(C)cc(Nc3ccc(O)c(C(=O)[O-])c3)c2c1 ZINC000019731889 182139342 /nfs/dbraw/zinc/13/93/42/182139342.db2.gz OQFJEWOZFZOISN-UHFFFAOYSA-N -1 3 324.336 3.699 50 0 DHAAHM Cc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c([O-])c1 ZINC000024152028 182376074 /nfs/dbraw/zinc/37/60/74/182376074.db2.gz CFBHWOYNMFGPNE-UHFFFAOYSA-N -1 3 311.168 3.842 50 0 DHAAHM CCCCN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O ZINC000002815708 563313619 /nfs/dbraw/zinc/31/36/19/563313619.db2.gz OBWQQSRZMCSCHB-WQLSENKSSA-N -1 3 311.790 3.882 50 0 DHAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2N)c(C)c1C ZINC000000139508 563222825 /nfs/dbraw/zinc/22/28/25/563222825.db2.gz CMLCZYQCHNIRCV-UHFFFAOYSA-N -1 3 318.442 3.612 50 0 DHAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000000242879 563232863 /nfs/dbraw/zinc/23/28/63/563232863.db2.gz FXJWGIYQVLNWHL-UHFFFAOYSA-N -1 3 302.182 3.794 50 0 DHAAHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000304869 563238366 /nfs/dbraw/zinc/23/83/66/563238366.db2.gz BXMXRHFXWJRBJM-UHFFFAOYSA-N -1 3 319.426 3.811 50 0 DHAAHM S=c1[n-]nc(COc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000001439683 563283426 /nfs/dbraw/zinc/28/34/26/563283426.db2.gz QWCCPFNBTXBJLC-UHFFFAOYSA-N -1 3 317.801 3.788 50 0 DHAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002497192 563304684 /nfs/dbraw/zinc/30/46/84/563304684.db2.gz CNGHPXKWPGIDSK-UHFFFAOYSA-N -1 3 307.390 3.969 50 0 in-vitro DHAAHM COc1cccc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000002774510 563313203 /nfs/dbraw/zinc/31/32/03/563313203.db2.gz AKWMEJZBPQAAGX-UHFFFAOYSA-N -1 3 317.213 3.643 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(C)C ZINC000007360690 563338140 /nfs/dbraw/zinc/33/81/40/563338140.db2.gz QNDVOSYPSHJYRO-UHFFFAOYSA-N -1 3 305.399 3.619 50 0 DHAAHM C[C@@H](Oc1ccccc1Cl)C(=O)[N-]c1onc2c1CCCC2 ZINC000027662287 563429231 /nfs/dbraw/zinc/42/92/31/563429231.db2.gz TZHHZNSGKNNSSK-SNVBAGLBSA-N -1 3 320.776 3.613 50 0 DHAAHM Cc1ccc([O-])c(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 ZINC000030001451 563436352 /nfs/dbraw/zinc/43/63/52/563436352.db2.gz HPNZTNDROQRMMD-UHFFFAOYSA-N -1 3 321.336 3.535 50 0 DHAAHM Cc1cc(C)cc(O[C@H](C)C(=O)[N-]c2onc3c2CCCC3)c1 ZINC000011915000 563602314 /nfs/dbraw/zinc/60/23/14/563602314.db2.gz HLEOREXGSYMSKU-CYBMUJFWSA-N -1 3 314.385 3.576 50 0 DHAAHM Cc1nc([N-]C(=O)c2ncc(-c3ccc(F)cc3)o2)sc1C ZINC000206587451 563620291 /nfs/dbraw/zinc/62/02/91/563620291.db2.gz DBJIXKZNJQRAGY-UHFFFAOYSA-N -1 3 317.345 3.806 50 0 DHAAHM [O-]c1ccccc1C1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000100895249 563646115 /nfs/dbraw/zinc/64/61/15/563646115.db2.gz PNONEWLNUGNEDF-HNNXBMFYSA-N -1 3 324.771 3.693 50 0 DHAAHM CSc1cccc2sc([N-]C(=O)c3cc(C)no3)nc21 ZINC000012422465 563774152 /nfs/dbraw/zinc/77/41/52/563774152.db2.gz HOVHOKNWEBXDRU-UHFFFAOYSA-N -1 3 305.384 3.567 50 0 DHAAHM Cc1ccc([O-])c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000012623424 563807631 /nfs/dbraw/zinc/80/76/31/563807631.db2.gz JGRIPRPWCODWKP-UHFFFAOYSA-N -1 3 309.287 3.649 50 0 DHAAHM Cc1ccc([O-])c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000012889587 563852842 /nfs/dbraw/zinc/85/28/42/563852842.db2.gz LNEYFFWTHDNUON-UHFFFAOYSA-N -1 3 309.409 3.796 50 0 DHAAHM CC(C)c1nnc([N-]C(=O)c2sccc2OC(F)F)s1 ZINC000075127956 563860291 /nfs/dbraw/zinc/86/02/91/563860291.db2.gz NWCAGGFFXRVQRE-UHFFFAOYSA-N -1 3 319.358 3.577 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000007409028 563906057 /nfs/dbraw/zinc/90/60/57/563906057.db2.gz RCYBTRZDTQKODC-UHFFFAOYSA-N -1 3 305.399 3.503 50 0 DHAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 ZINC000031071556 563944040 /nfs/dbraw/zinc/94/40/40/563944040.db2.gz JVVRIDITXZGUTK-UHFFFAOYSA-N -1 3 323.314 3.992 50 0 DHAAHM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc2[nH]1 ZINC000031721939 563944775 /nfs/dbraw/zinc/94/47/75/563944775.db2.gz QGQGZPPABRHTSJ-UHFFFAOYSA-N -1 3 314.410 3.894 50 0 DHAAHM COc1ccc(C(=O)CSc2nc3ccccc3o2)c([O-])c1 ZINC000038820094 563949179 /nfs/dbraw/zinc/94/91/79/563949179.db2.gz FIQDCWORFGQEFW-UHFFFAOYSA-N -1 3 315.350 3.517 50 0 DHAAHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cnn[n-]1 ZINC000069518980 563953259 /nfs/dbraw/zinc/95/32/59/563953259.db2.gz IJXIODQJKWSSGQ-ZDUSSCGKSA-N -1 3 322.368 3.505 50 0 DHAAHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1c[n-]nn1 ZINC000069518980 563953260 /nfs/dbraw/zinc/95/32/60/563953260.db2.gz IJXIODQJKWSSGQ-ZDUSSCGKSA-N -1 3 322.368 3.505 50 0 DHAAHM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cn[n-]n1 ZINC000069518980 563953261 /nfs/dbraw/zinc/95/32/61/563953261.db2.gz IJXIODQJKWSSGQ-ZDUSSCGKSA-N -1 3 322.368 3.505 50 0 DHAAHM Cn1[n-]c(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000675028221 1018229142 /nfs/dbraw/zinc/22/91/42/1018229142.db2.gz MSLJIHHYNZDJQY-UHFFFAOYSA-N -1 3 316.748 3.576 50 0 DHAAHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC000079050031 185149375 /nfs/dbraw/zinc/14/93/75/185149375.db2.gz WGONLIGRCSWPNG-HXUWFJFHSA-N -1 3 309.409 3.877 50 0 DHAAHM O=C(Nc1cccc([O-])c1F)c1csc(Br)c1 ZINC000095446724 185367626 /nfs/dbraw/zinc/36/76/26/185367626.db2.gz NEXAHYYHKWBYRU-UHFFFAOYSA-N -1 3 316.151 3.608 50 0 DHAAHM O=C(NCc1cccc(Cl)c1)c1c[n-]nc1-c1cccs1 ZINC000072329455 191123960 /nfs/dbraw/zinc/12/39/60/191123960.db2.gz GMZJGUUKILGLBS-UHFFFAOYSA-N -1 3 317.801 3.722 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000000282818 180747214 /nfs/dbraw/zinc/74/72/14/180747214.db2.gz MADHBRSPSDIBAY-UHFFFAOYSA-N -1 3 305.399 3.619 50 0 DHAAHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cccs1 ZINC000004178889 181082360 /nfs/dbraw/zinc/08/23/60/181082360.db2.gz VXXHTJPXOKIWTL-UHFFFAOYSA-N -1 3 319.386 3.582 50 0 DHAAHM Cc1c(Cl)cccc1NC(=O)C(=S)[N-]Cc1ccccc1 ZINC000004825626 181158057 /nfs/dbraw/zinc/15/80/57/181158057.db2.gz WMVCNQZHARXJJZ-UHFFFAOYSA-N -1 3 318.829 3.704 50 0 DHAAHM Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000005066043 181199577 /nfs/dbraw/zinc/19/95/77/181199577.db2.gz BXTGABFMOBASPR-UHFFFAOYSA-N -1 3 309.287 3.901 50 0 DHAAHM CC(=O)[C@H](C)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005729892 181277639 /nfs/dbraw/zinc/27/76/39/181277639.db2.gz PHMNRRVOPYEBQP-LBPRGKRZSA-N -1 3 324.332 3.522 50 0 biogenic DHAAHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1C[C@H]1c1cccnc1 ZINC000081458868 192269929 /nfs/dbraw/zinc/26/99/29/192269929.db2.gz YCSXCYYIRZGKQK-NWDGAFQWSA-N -1 3 322.286 3.548 50 0 DHAAHM CCCCSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000005868887 181291569 /nfs/dbraw/zinc/29/15/69/181291569.db2.gz XNWYEIUUKORUKN-UHFFFAOYSA-N -1 3 314.414 3.722 50 0 DHAAHM COc1ccc2cc([C@H](C)C(=O)Nc3ncccc3[O-])ccc2c1 ZINC000012527016 181770695 /nfs/dbraw/zinc/77/06/95/181770695.db2.gz YJBBDEQQPPTNHS-LBPRGKRZSA-N -1 3 322.364 3.691 50 0 DHAAHM CC(=O)c1cccc(NC(=S)Nc2cc(C)ccc2[O-])c1 ZINC000017024974 182068321 /nfs/dbraw/zinc/06/83/21/182068321.db2.gz KFAKCQSBYYJVQH-UHFFFAOYSA-N -1 3 300.383 3.712 50 0 DHAAHM C[C@@H](c1n[n-]c(=S)n1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000019230007 182109109 /nfs/dbraw/zinc/10/91/09/182109109.db2.gz IROPFSZZIGTKJU-NSHDSACASA-N -1 3 322.865 3.756 50 0 DHAAHM N[C@@H](c1ccc(Cl)cc1)[P@](=O)([O-])CCc1ccccc1 ZINC000020533282 182228283 /nfs/dbraw/zinc/22/82/83/182228283.db2.gz UKCIVEWGLUPHHP-OAHLLOKOSA-N -1 3 309.733 3.810 50 0 DHAAHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cnc3ccccc3n2)c1 ZINC000021006741 182259548 /nfs/dbraw/zinc/25/95/48/182259548.db2.gz LXYVLQGRHNOAQM-UHFFFAOYSA-N -1 3 321.380 3.885 50 0 DHAAHM CCN(CC)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000060322078 184146201 /nfs/dbraw/zinc/14/62/01/184146201.db2.gz UKQMDXMQPOAHDG-UHFFFAOYSA-N -1 3 319.792 3.539 50 0 DHAAHM COc1cc(C2SCCS2)cc(Br)c1[O-] ZINC000000091643 563215867 /nfs/dbraw/zinc/21/58/67/563215867.db2.gz XAQVPGYJYNEPRG-UHFFFAOYSA-N -1 3 307.234 3.642 50 0 DHAAHM O=C(NC(=S)Nc1ccccc1[O-])c1cccc2ccccc21 ZINC000000342069 563242051 /nfs/dbraw/zinc/24/20/51/563242051.db2.gz RDBAIRHXKQZHEA-UHFFFAOYSA-N -1 3 322.389 3.672 50 0 DHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000353651 563243717 /nfs/dbraw/zinc/24/37/17/563243717.db2.gz BKLDGHUZASRCPX-UHFFFAOYSA-N -1 3 319.426 3.794 50 0 DHAAHM O=S(=O)(Cc1ccccc1)[N-]c1cc(Cl)cc(Cl)c1 ZINC000000439117 563254076 /nfs/dbraw/zinc/25/40/76/563254076.db2.gz HBKOJBASMHLAIW-UHFFFAOYSA-N -1 3 316.209 3.935 50 0 DHAAHM O=C([N-]c1nnc(-c2ccc(F)cc2Cl)s1)c1ccco1 ZINC000000618342 563270419 /nfs/dbraw/zinc/27/04/19/563270419.db2.gz CQTHGHHOKYNGQR-UHFFFAOYSA-N -1 3 323.736 3.843 50 0 DHAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2cccs2)on1 ZINC000002465674 563303734 /nfs/dbraw/zinc/30/37/34/563303734.db2.gz VSYSMZIJISKVEZ-UHFFFAOYSA-N -1 3 306.293 3.934 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000007055717 563336614 /nfs/dbraw/zinc/33/66/14/563336614.db2.gz KIYGBDPFFCQMNC-UHFFFAOYSA-N -1 3 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CCc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000003403307 181015886 /nfs/dbraw/zinc/01/58/86/181015886.db2.gz OVFUVPGNPQVAFT-UHFFFAOYSA-N -1 3 318.756 3.648 50 0 DHAAHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004667101 181133990 /nfs/dbraw/zinc/13/39/90/181133990.db2.gz AEXPCUOCUOTZML-JOYOIKCWSA-N -1 3 322.257 3.850 50 0 DHAAHM Cc1cc([N-]C(=O)c2ccc(COc3ccccc3C)o2)no1 ZINC000005059627 181198410 /nfs/dbraw/zinc/19/84/10/181198410.db2.gz WIAAYYULURRQGN-UHFFFAOYSA-N -1 3 312.325 3.716 50 0 DHAAHM [O-]C(=NOCc1ccccc1)Nc1ccccc1Br ZINC000005773717 181283045 /nfs/dbraw/zinc/28/30/45/181283045.db2.gz RLQRIBAFHZQDEX-UHFFFAOYSA-N -1 3 321.174 3.702 50 0 DHAAHM O=C([N-]OCc1ccccc1)Nc1ccccc1Br ZINC000005773717 181283046 /nfs/dbraw/zinc/28/30/46/181283046.db2.gz RLQRIBAFHZQDEX-UHFFFAOYSA-N -1 3 321.174 3.702 50 0 DHAAHM O=C([O-])c1[nH]c2ccccc2c1CNCc1ccccc1Cl ZINC000006751591 181383420 /nfs/dbraw/zinc/38/34/20/181383420.db2.gz DZBMFEIYWPHNIR-UHFFFAOYSA-N -1 3 314.772 3.809 50 0 DHAAHM COc1ccc2nc(NC(=O)c3cc(C)ccc3[O-])sc2c1 ZINC000012819298 181801260 /nfs/dbraw/zinc/80/12/60/181801260.db2.gz KFVWKKANCPEUFB-UHFFFAOYSA-N -1 3 314.366 3.571 50 0 DHAAHM O=C1[N-]C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000015661950 182010603 /nfs/dbraw/zinc/01/06/03/182010603.db2.gz KAKZTHBUYPEQSE-ZROIWOOFSA-N -1 3 317.266 3.516 50 0 DHAAHM COc1ccc(-c2noc([N-]c3ccc(C)cc3)n2)cc1OC ZINC000015681000 182012389 /nfs/dbraw/zinc/01/23/89/182012389.db2.gz WCVMRAJOYADKAH-UHFFFAOYSA-N -1 3 311.341 3.806 50 0 DHAAHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000016780027 182060742 /nfs/dbraw/zinc/06/07/42/182060742.db2.gz OEZCACRFSPZUOV-CABZTGNLSA-N -1 3 322.257 3.850 50 0 DHAAHM O=C(c1c[n-]c2ccc(F)cc2c1=O)N1CCCc2ccccc21 ZINC000016650997 182055879 /nfs/dbraw/zinc/05/58/79/182055879.db2.gz XDQGSNRSMXTHMK-UHFFFAOYSA-N -1 3 322.339 3.673 50 0 DHAAHM O=C(c1cnc2ccc(F)cc2c1[O-])N1CCCc2ccccc21 ZINC000016650997 182055880 /nfs/dbraw/zinc/05/58/80/182055880.db2.gz XDQGSNRSMXTHMK-UHFFFAOYSA-N -1 3 322.339 3.673 50 0 DHAAHM COc1ccc([N-]c2nc(-c3ccccc3F)no2)cc1OC ZINC000020996763 182258390 /nfs/dbraw/zinc/25/83/90/182258390.db2.gz MSJKFETUICKZJA-UHFFFAOYSA-N -1 3 315.304 3.637 50 0 DHAAHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)c(F)c1 ZINC000061142313 184163091 /nfs/dbraw/zinc/16/30/91/184163091.db2.gz YKZPSMLNYWTDDF-SECBINFHSA-N -1 3 318.279 3.866 50 0 DHAAHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)c(F)c1 ZINC000061142313 184163093 /nfs/dbraw/zinc/16/30/93/184163093.db2.gz YKZPSMLNYWTDDF-SECBINFHSA-N -1 3 318.279 3.866 50 0 DHAAHM CC(C)(C)c1nc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1 ZINC000299742967 526864477 /nfs/dbraw/zinc/86/44/77/526864477.db2.gz LCCAVZKYAWGLIQ-YUTCNCBUSA-N -1 3 322.474 3.658 50 0 DHAAHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000000582695 563268397 /nfs/dbraw/zinc/26/83/97/563268397.db2.gz PFFVUWJIOVOKKN-UHFFFAOYSA-N -1 3 313.831 3.863 50 0 DHAAHM CCc1cc(C(=O)COc2ccc(Cl)cc2)c(O)cc1[O-] ZINC000000308164 563238913 /nfs/dbraw/zinc/23/89/13/563238913.db2.gz SEMWLWJOEPKNLU-UHFFFAOYSA-N -1 3 306.745 3.575 50 0 DHAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000000363066 563244834 /nfs/dbraw/zinc/24/48/34/563244834.db2.gz OSCZYRCHVMVISH-UHFFFAOYSA-N -1 3 307.390 3.924 50 0 DHAAHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1Cl ZINC000000367851 563246422 /nfs/dbraw/zinc/24/64/22/563246422.db2.gz BLUWITQWEDYYLY-UHFFFAOYSA-N -1 3 312.152 3.960 50 0 DHAAHM O=S(=O)([N-]Cc1cccs1)c1cc(Cl)ccc1Cl ZINC000000476341 563261774 /nfs/dbraw/zinc/26/17/74/563261774.db2.gz SKRYHFIGELLUQX-UHFFFAOYSA-N -1 3 322.238 3.533 50 0 DHAAHM CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000001163563 563278615 /nfs/dbraw/zinc/27/86/15/563278615.db2.gz BMDDBZPVLSLYGR-UHFFFAOYSA-N -1 3 318.760 3.646 50 0 DHAAHM COc1ccccc1-c1oc2cc(Cl)ccc2c(=O)c1[O-] ZINC000001461290 563284040 /nfs/dbraw/zinc/28/40/40/563284040.db2.gz JYLLGOIYJHXEFC-UHFFFAOYSA-N -1 3 302.713 3.828 50 0 DHAAHM O=C(Nc1cccc(Cl)c1)c1c[n-]c2ccc(F)cc2c1=O ZINC000032606236 563370778 /nfs/dbraw/zinc/37/07/78/563370778.db2.gz CFPOFHIXAPRMTJ-UHFFFAOYSA-N -1 3 316.719 3.573 50 0 DHAAHM O=C(Nc1cccc(Cl)c1)c1cnc2ccc(F)cc2c1[O-] ZINC000032606236 563370782 /nfs/dbraw/zinc/37/07/82/563370782.db2.gz CFPOFHIXAPRMTJ-UHFFFAOYSA-N -1 3 316.719 3.573 50 0 DHAAHM C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2nonc2[N-]1 ZINC000013130139 563378871 /nfs/dbraw/zinc/37/88/71/563378871.db2.gz HIIZWIAXRNBQTG-GOSISDBHSA-N -1 3 304.353 3.921 50 0 DHAAHM Cc1cc(C)c2c(=O)[n-]c(SCc3ccccc3C)nc2n1 ZINC000013659213 563384683 /nfs/dbraw/zinc/38/46/83/563384683.db2.gz UTPRCADIDLJHPD-UHFFFAOYSA-N -1 3 311.410 3.536 50 0 DHAAHM Cc1cccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000032879603 563407613 /nfs/dbraw/zinc/40/76/13/563407613.db2.gz SAGBSBPTBVEFTC-UHFFFAOYSA-N -1 3 312.760 3.686 50 0 DHAAHM O=C([N-]c1nnc(CC2=CCCCC2)s1)c1cccs1 ZINC000002844471 563446993 /nfs/dbraw/zinc/44/69/93/563446993.db2.gz JCZHGYBWPRJARM-UHFFFAOYSA-N -1 3 305.428 3.895 50 0 DHAAHM O=C([N-]c1ccccc1F)c1cc(-c2cccc(F)c2)no1 ZINC000033146351 563497877 /nfs/dbraw/zinc/49/78/77/563497877.db2.gz LDXUJRJPTHSAFP-UHFFFAOYSA-N -1 3 300.264 3.872 50 0 DHAAHM O=C([N-]c1nccs1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011916130 563601093 /nfs/dbraw/zinc/60/10/93/563601093.db2.gz XOFFFZXJVSLMFY-UHFFFAOYSA-N -1 3 305.746 3.704 50 0 DHAAHM CCc1ccc(O[C@H](C)C(=O)[N-]c2onc3c2CCCC3)cc1 ZINC000011914854 563601785 /nfs/dbraw/zinc/60/17/85/563601785.db2.gz ZPLMMLYSYIOBCZ-GFCCVEGCSA-N -1 3 314.385 3.522 50 0 DHAAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccc(F)cc3F)C12 ZINC000102743716 563662046 /nfs/dbraw/zinc/66/20/46/563662046.db2.gz BHMQUYOYGAKDPO-ZDUSSCGKSA-N -1 3 318.283 3.583 50 0 DHAAHM CSc1ccc2nc([N-]C(=O)c3cc(C)no3)sc2c1 ZINC000012422464 563774609 /nfs/dbraw/zinc/77/46/09/563774609.db2.gz DKSGIOXSDLGBDS-UHFFFAOYSA-N -1 3 305.384 3.567 50 0 DHAAHM [O-]c1cc(Br)c(Br)cc1OC(F)F ZINC000263623988 563794481 /nfs/dbraw/zinc/79/44/81/563794481.db2.gz MKFMCFUOKOXBBL-UHFFFAOYSA-N -1 3 317.911 3.519 50 0 DHAAHM COc1ccc(C=Cc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000083263628 563810066 /nfs/dbraw/zinc/81/00/66/563810066.db2.gz IFKRIEGMEQAODE-XFXZXTDPSA-N -1 3 304.349 3.616 50 0 DHAAHM O=c1cc(C(F)(F)F)nc(CNc2cccc3ccccc32)[n-]1 ZINC000089873251 563911879 /nfs/dbraw/zinc/91/18/79/563911879.db2.gz BKTQSXHPLZFAHQ-UHFFFAOYSA-N -1 3 319.286 3.554 50 0 DHAAHM Cc1cnoc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000079094883 563930315 /nfs/dbraw/zinc/93/03/15/563930315.db2.gz HLFPMCOFNZYNMD-UHFFFAOYSA-N -1 3 308.337 3.532 50 0 DHAAHM Cc1ccc([O-])c(CN2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000095982291 563933854 /nfs/dbraw/zinc/93/38/54/563933854.db2.gz UNCZRBFKSLMYGV-UHFFFAOYSA-N -1 3 323.396 3.616 50 0 DHAAHM O=c1cc(-c2ccccc2)nc(NCc2ccc(Cl)cc2)[n-]1 ZINC000007995030 563946196 /nfs/dbraw/zinc/94/61/96/563946196.db2.gz VSLHIMFKAHSINK-UHFFFAOYSA-N -1 3 311.772 3.702 50 0 DHAAHM Fc1ccccc1OCCSc1n[n-]c(-c2cccs2)n1 ZINC000008230703 563947438 /nfs/dbraw/zinc/94/74/38/563947438.db2.gz QDFSPVPLDLILBW-UHFFFAOYSA-N -1 3 321.402 3.843 50 0 DHAAHM O=C(NCc1ccc([O-])c(F)c1)c1c(Cl)cccc1Cl ZINC000095427739 185362006 /nfs/dbraw/zinc/36/20/06/185362006.db2.gz CNSIZTJVLDTFJU-UHFFFAOYSA-N -1 3 314.143 3.768 50 0 DHAAHM Cc1nc([N-]C(=O)c2nnsc2-c2ccccc2)sc1C ZINC000072239949 191084217 /nfs/dbraw/zinc/08/42/17/191084217.db2.gz UHAVKOCOROQVMX-UHFFFAOYSA-N -1 3 316.411 3.531 50 0 DHAAHM O=C(OCc1ccc(Br)cc1)c1ccc([O-])cc1 ZINC000003294409 181001406 /nfs/dbraw/zinc/00/14/06/181001406.db2.gz UVYGIBXHJTVMAX-UHFFFAOYSA-N -1 3 307.143 3.512 50 0 DHAAHM COc1ccc(NCc2ccc([O-])c3ncccc23)c(OC)c1 ZINC000004451456 181109990 /nfs/dbraw/zinc/10/99/90/181109990.db2.gz KUYFVHDLGCRNCD-UHFFFAOYSA-N -1 3 310.353 3.570 50 0 DHAAHM Cc1cc([N-]C(=O)c2ccc(COc3cccc(C)c3)o2)no1 ZINC000005032893 181193965 /nfs/dbraw/zinc/19/39/65/181193965.db2.gz CPPLZCVHKRJNDX-UHFFFAOYSA-N -1 3 312.325 3.716 50 0 DHAAHM S=c1[n-]nc(COc2ccccc2Cl)n1-c1ccccc1 ZINC000006548729 181353396 /nfs/dbraw/zinc/35/33/96/181353396.db2.gz UPOKCEDDNKPMMM-UHFFFAOYSA-N -1 3 317.801 3.788 50 0 DHAAHM CCc1cc2c([n-]c(CNc3cccc(Cl)c3)nc2=O)s1 ZINC000019926555 182165153 /nfs/dbraw/zinc/16/51/53/182165153.db2.gz BGRFGLZZRSRJSD-UHFFFAOYSA-N -1 3 319.817 3.813 50 0 DHAAHM O=c1nc(CN2CCC[C@@H]2C2CCCC2)[n-]c2ccsc21 ZINC000055927933 184001344 /nfs/dbraw/zinc/00/13/44/184001344.db2.gz HHSBSFNPEKTCLI-CYBMUJFWSA-N -1 3 303.431 3.552 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000000470846 331463230 /nfs/dbraw/zinc/46/32/30/331463230.db2.gz RVKYLZDACKPKRH-UHFFFAOYSA-N -1 3 305.399 3.503 50 0 DHAAHM Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000000365579 563590668 /nfs/dbraw/zinc/59/06/68/563590668.db2.gz WADYEMNNLAQHKD-UHFFFAOYSA-N -1 3 305.761 3.680 50 0 DHAAHM CCCCc1ccc2nc([N-]C(=O)c3cnns3)sc2c1 ZINC000054149148 563886224 /nfs/dbraw/zinc/88/62/24/563886224.db2.gz XVRYZWRLTWHCES-UHFFFAOYSA-N -1 3 318.427 3.743 50 0 DHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc(C)c1F ZINC000000140447 563223368 /nfs/dbraw/zinc/22/33/68/563223368.db2.gz IPPBUBSQJNKNJG-UHFFFAOYSA-N -1 3 315.316 3.522 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)c1 ZINC000000183407 563228521 /nfs/dbraw/zinc/22/85/21/563228521.db2.gz HANSYHXUYSIMIX-UHFFFAOYSA-N -1 3 311.353 3.691 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000000516948 563264089 /nfs/dbraw/zinc/26/40/89/563264089.db2.gz BTYXCFBPMVESNR-UHFFFAOYSA-N -1 3 305.399 3.503 50 0 DHAAHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013939123 563392730 /nfs/dbraw/zinc/39/27/30/563392730.db2.gz CCZFIHFBVUYBIC-UHFFFAOYSA-N -1 3 309.884 3.895 50 0 DHAAHM CC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2[O-])cc1 ZINC000010750636 563417850 /nfs/dbraw/zinc/41/78/50/563417850.db2.gz XDIIOCPKPPPCQD-UHFFFAOYSA-N -1 3 300.383 3.712 50 0 DHAAHM Cc1ccc(C(=O)Nc2ccc([O-])c(Br)c2)cc1 ZINC000000084049 563524916 /nfs/dbraw/zinc/52/49/16/563524916.db2.gz YHKCPLDPVMXVTQ-UHFFFAOYSA-N -1 3 306.159 3.715 50 0 DHAAHM O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1[O-] ZINC000011679707 563571040 /nfs/dbraw/zinc/57/10/40/563571040.db2.gz OJBYCJPSHIGCJN-UHFFFAOYSA-N -1 3 308.337 3.619 50 0 DHAAHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000028813020 563755836 /nfs/dbraw/zinc/75/58/36/563755836.db2.gz PULGXYRWEJDUJZ-UHFFFAOYSA-N -1 3 322.412 3.528 50 0 DHAAHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C)cc3[O-])c2)cs1 ZINC000052549299 563788409 /nfs/dbraw/zinc/78/84/09/563788409.db2.gz XLWVWDSNYBPBHF-UHFFFAOYSA-N -1 3 313.382 3.713 50 0 DHAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)S1 ZINC000003208046 563799327 /nfs/dbraw/zinc/79/93/27/563799327.db2.gz UKOAKDJZVZQHAH-KPKJPENVSA-N -1 3 305.742 3.924 50 0 DHAAHM CC(C)(C)c1nc(CSc2n[n-]c(-c3cccs3)n2)no1 ZINC000036735344 563904031 /nfs/dbraw/zinc/90/40/31/563904031.db2.gz SYKPRXLJQCYWTK-UHFFFAOYSA-N -1 3 321.431 3.506 50 0 DHAAHM O=C(OCc1csc(-c2ccsc2)n1)c1ccc([O-])cc1 ZINC000007548509 563908591 /nfs/dbraw/zinc/90/85/91/563908591.db2.gz ONBPFMKDTNKADR-UHFFFAOYSA-N -1 3 317.391 3.934 50 0 DHAAHM O=c1c([O-])c(-c2ccc(OC(F)F)cc2)oc2ccccc12 ZINC000170625841 563908844 /nfs/dbraw/zinc/90/88/44/563908844.db2.gz XHJHYXRIRAEIDI-UHFFFAOYSA-N -1 3 304.248 3.767 50 0 DHAAHM Cc1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000252503535 563916351 /nfs/dbraw/zinc/91/63/51/563916351.db2.gz VESMQJQGKSJTAZ-UHFFFAOYSA-N -1 3 313.781 3.729 50 0 DHAAHM O=c1[n-]c(CSc2ccc(O)cc2)nc2c3ccccc3oc21 ZINC000069742322 563954639 /nfs/dbraw/zinc/95/46/39/563954639.db2.gz GMALAZPTMHQQJA-UHFFFAOYSA-N -1 3 324.361 3.667 50 0 DHAAHM Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c([O-])c1 ZINC000010123573 563958126 /nfs/dbraw/zinc/95/81/26/563958126.db2.gz IMFUBMTYCHZIBM-UHFFFAOYSA-N -1 3 322.364 3.927 50 0 DHAAHM CCCCCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)C ZINC000239760981 568416921 /nfs/dbraw/zinc/41/69/21/568416921.db2.gz CIZDMZGBGOKBLF-UHFFFAOYSA-N -1 3 300.402 3.981 50 0 DHAAHM COc1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)on1 ZINC000090609987 185306764 /nfs/dbraw/zinc/30/67/64/185306764.db2.gz WYDHZLKSPBPEKI-UHFFFAOYSA-N -1 3 320.654 3.608 50 0 DHAAHM C[C@]12CC3CC(C(=O)Nc4ncccc4[O-])(C1)C[C@@](C)(C3)C2 ZINC000225493223 201720837 /nfs/dbraw/zinc/72/08/37/201720837.db2.gz CTWYZDSOQULCOP-FGKMVVGBSA-N -1 3 300.402 3.722 50 0 DHAAHM O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2[O-])on1 ZINC000003908566 181056680 /nfs/dbraw/zinc/05/66/80/181056680.db2.gz SGVJWZNCKSATCR-UHFFFAOYSA-N -1 3 314.728 3.953 50 0 DHAAHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000004010877 181061951 /nfs/dbraw/zinc/06/19/51/181061951.db2.gz LJBNWGQVMDSGEJ-UHFFFAOYSA-N -1 3 320.172 3.933 50 0 DHAAHM Cc1ccc(Cc2c(C)nc(NCc3ccccc3)[n-]c2=O)cc1 ZINC000004736648 181144495 /nfs/dbraw/zinc/14/44/95/181144495.db2.gz MSSXRQQFEOCTAL-UHFFFAOYSA-N -1 3 319.408 3.590 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2cc3ccccc3o2)s1 ZINC000005443183 181244106 /nfs/dbraw/zinc/24/41/06/181244106.db2.gz VTNJEYBOCZOOJU-UHFFFAOYSA-N -1 3 305.384 3.649 50 0 DHAAHM CCc1nonc1[N-]C(=O)c1oc2cc(C)c(Cl)cc2c1C ZINC000006743423 181381270 /nfs/dbraw/zinc/38/12/70/181381270.db2.gz MZMQVYTTXJRZFE-UHFFFAOYSA-N -1 3 319.748 3.901 50 0 DHAAHM O=C([N-]c1nonc1-c1ccc(Cl)cc1)c1ccccc1F ZINC000006747720 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318.804 3.717 50 0 DHAAHM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000010112656 563646987 /nfs/dbraw/zinc/64/69/87/563646987.db2.gz ALKFJDWUVFRGRT-UHFFFAOYSA-N -1 3 317.410 3.809 50 0 DHAAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3cccc(Cl)c3)C12 ZINC000102750962 563662438 /nfs/dbraw/zinc/66/24/38/563662438.db2.gz SUTOXAIZGFTYNY-ZDUSSCGKSA-N -1 3 316.748 3.958 50 0 DHAAHM COc1ccc(Cl)c2sc([N-]C(=O)c3cc(C)no3)nc21 ZINC000012422466 563774268 /nfs/dbraw/zinc/77/42/68/563774268.db2.gz ZTDSKECFEXUWRF-UHFFFAOYSA-N -1 3 323.761 3.507 50 0 DHAAHM Cc1cc(C(=O)[N-]c2nc3ccc(C(C)C)cc3s2)on1 ZINC000012422445 563774553 /nfs/dbraw/zinc/77/45/53/563774553.db2.gz NLTCFVAHMANZCE-UHFFFAOYSA-N -1 3 301.371 3.968 50 0 DHAAHM Cc1c([O-])ccc2c(CNc3ccc4c(c3)CCC4)cc(=O)oc12 ZINC000007242596 563904791 /nfs/dbraw/zinc/90/47/91/563904791.db2.gz JHOQYUZRZCGFEX-UHFFFAOYSA-N -1 3 321.376 3.908 50 0 DHAAHM CO[C@H](C)c1cccc(NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000096415893 563936854 /nfs/dbraw/zinc/93/68/54/563936854.db2.gz 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/nfs/dbraw/zinc/27/31/89/181273189.db2.gz XKOMOXOMLWWMDO-UHFFFAOYSA-N -1 3 311.410 3.752 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)cc1 ZINC000007056484 181435652 /nfs/dbraw/zinc/43/56/52/181435652.db2.gz ATABXAPQTMXKFH-UHFFFAOYSA-N -1 3 319.426 3.794 50 0 DHAAHM Cc1ccc(-c2nsc([N-]C(=O)c3cccs3)n2)s1 ZINC000015859998 182021773 /nfs/dbraw/zinc/02/17/73/182021773.db2.gz VNCOFKPMUFVLST-UHFFFAOYSA-N -1 3 307.425 3.889 50 0 DHAAHM O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccccn2)[n-]n1 ZINC000021940806 182299719 /nfs/dbraw/zinc/29/97/19/182299719.db2.gz OLDFIQILRXELCF-UHFFFAOYSA-N -1 3 316.723 3.517 50 0 DHAAHM COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000023951738 182370221 /nfs/dbraw/zinc/37/02/21/182370221.db2.gz CAVZQAXCACMIAN-LLVKDONJSA-N -1 3 311.337 3.638 50 0 DHAAHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccccc3)ccc2O1 ZINC000024613937 182385459 /nfs/dbraw/zinc/38/54/59/182385459.db2.gz TZLFZOVDAHRLJS-UHFFFAOYSA-N -1 3 317.410 3.591 50 0 DHAAHM Cc1noc(C)c1[N-]C(=O)c1sc(-c2ccccc2)nc1C ZINC000058004593 184066292 /nfs/dbraw/zinc/06/62/92/184066292.db2.gz MBTKUWXJMBWLBC-UHFFFAOYSA-N -1 3 313.382 3.976 50 0 DHAAHM CN(Cc1ncccc1C(=O)[O-])C[C@]1(c2ccccc2)CC1(C)C ZINC000065410823 184340099 /nfs/dbraw/zinc/34/00/99/184340099.db2.gz CGXRFPYLRJGRTK-FQEVSTJZSA-N -1 3 324.424 3.580 50 0 DHAAHM CCC(CC)(CN[C@H]1CCc2cc(F)c(F)c(F)c21)C(=O)[O-] ZINC000263072779 337623994 /nfs/dbraw/zinc/62/39/94/337623994.db2.gz PYRKVMUWCFQGJB-NSHDSACASA-N -1 3 315.335 3.572 50 0 DHAAHM CC(C)(C)c1nc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1 ZINC000299742966 526865658 /nfs/dbraw/zinc/86/56/58/526865658.db2.gz LCCAVZKYAWGLIQ-XBFCOCLRSA-N -1 3 322.474 3.658 50 0 DHAAHM Cc1ccsc1/C=C1/[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000000202376 563230436 /nfs/dbraw/zinc/23/04/36/563230436.db2.gz PFGFGAUMHNWDAQ-XYOKQWHBSA-N -1 3 318.785 3.807 50 0 DHAAHM Cc1[nH]nc(-c2ccc(O)cc2[O-])c1Oc1ccccc1F ZINC000000302593 563237906 /nfs/dbraw/zinc/23/79/06/563237906.db2.gz ZQTLIRYVFTUXBO-UHFFFAOYSA-N -1 3 300.289 3.728 50 0 DHAAHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000000473995 563261193 /nfs/dbraw/zinc/26/11/93/563261193.db2.gz NJULNIOZJGXKGN-UHFFFAOYSA-N -1 3 319.426 3.621 50 0 DHAAHM CC(C)C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000000472721 563261203 /nfs/dbraw/zinc/26/12/03/563261203.db2.gz XTYRTBNZJXZUQN-UHFFFAOYSA-N -1 3 324.273 3.952 50 0 DHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000581936 563268476 /nfs/dbraw/zinc/26/84/76/563268476.db2.gz LVOROODZGSJCJA-UHFFFAOYSA-N -1 3 323.439 3.608 50 0 DHAAHM CCOc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000002884942 563316859 /nfs/dbraw/zinc/31/68/59/563316859.db2.gz BMITWSUBFVCBOY-UHFFFAOYSA-N -1 3 323.389 3.642 50 0 DHAAHM COc1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000013141582 563379647 /nfs/dbraw/zinc/37/96/47/563379647.db2.gz XWOJNNBQCAPJOC-UHFFFAOYSA-N -1 3 314.366 3.974 50 0 DHAAHM COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1[O-] ZINC000001086728 563415717 /nfs/dbraw/zinc/41/57/17/563415717.db2.gz WUXKHXFSVIYVSH-OQLLNIDSSA-N -1 3 322.364 3.563 50 0 DHAAHM [O-]c1cc(O)ccc1-c1n[nH]cc1Oc1ccc(Cl)cc1 ZINC000100743498 563553275 /nfs/dbraw/zinc/55/32/75/563553275.db2.gz JMPNPXAKVNKGGT-UHFFFAOYSA-N -1 3 302.717 3.934 50 0 DHAAHM CCc1nnc([N-]C(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000005001112 563595487 /nfs/dbraw/zinc/59/54/87/563595487.db2.gz AIIWONHOFAEYDS-UHFFFAOYSA-N -1 3 317.345 3.752 50 0 DHAAHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000183040073 563794033 /nfs/dbraw/zinc/79/40/33/563794033.db2.gz LUORGMNXITWJID-RYUDHWBXSA-N -1 3 303.308 3.721 50 0 DHAAHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccncc1Cl ZINC000084350643 563826552 /nfs/dbraw/zinc/82/65/52/563826552.db2.gz PQAXTGLADPOSFT-UHFFFAOYSA-N -1 3 316.666 3.712 50 0 DHAAHM O=C(OCc1ccc(Cl)cc1Cl)c1ccc([O-])cc1O ZINC000012801279 563835336 /nfs/dbraw/zinc/83/53/36/563835336.db2.gz XBUHLYYYOGHYNE-UHFFFAOYSA-N -1 3 313.136 3.762 50 0 DHAAHM O=c1[n-]c(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12 ZINC000012865113 563845505 /nfs/dbraw/zinc/84/55/05/563845505.db2.gz SILJGMLSMLWZMO-UHFFFAOYSA-N -1 3 306.296 3.989 50 0 DHAAHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000013005663 563875048 /nfs/dbraw/zinc/87/50/48/563875048.db2.gz OTENROQMULTMLI-LLVKDONJSA-N -1 3 305.761 3.760 50 0 DHAAHM O=C(CCCc1nc2ccccc2s1)Nc1ccccc1[O-] ZINC000013018119 563876691 /nfs/dbraw/zinc/87/66/91/563876691.db2.gz ZLWOLVXWOHYVOX-UHFFFAOYSA-N -1 3 312.394 3.963 50 0 DHAAHM Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1ccccc1F ZINC000006894439 563899243 /nfs/dbraw/zinc/89/92/43/563899243.db2.gz BVWJCLPNURUYHQ-UHFFFAOYSA-N -1 3 312.344 3.603 50 0 DHAAHM Cc1cc(C)cc([C@@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)c1 ZINC000170626788 563908812 /nfs/dbraw/zinc/90/88/12/563908812.db2.gz RSIMUGBWABCPKY-SFHVURJKSA-N -1 3 320.396 3.552 50 0 DHAAHM Cc1nc(-c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)co1 ZINC000031285098 563944367 /nfs/dbraw/zinc/94/43/67/563944367.db2.gz KZNXBHWLZIXIBS-UHFFFAOYSA-N -1 3 308.337 3.916 50 0 DHAAHM Cc1cc(-c2ccccc2)nc2[n-]n(-c3ccccc3)c(=O)c21 ZINC000008670990 563949625 /nfs/dbraw/zinc/94/96/25/563949625.db2.gz LGLBZFYGSWAORO-UHFFFAOYSA-N -1 3 301.349 3.689 50 0 DHAAHM COc1c(Cl)cc(C(=O)Nc2ccccc2[O-])cc1Cl ZINC000008704329 563949843 /nfs/dbraw/zinc/94/98/43/563949843.db2.gz KAZRYSXTSWPHKS-UHFFFAOYSA-N -1 3 312.152 3.960 50 0 DHAAHM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc(Cl)ccn1 ZINC000009497308 563956500 /nfs/dbraw/zinc/95/65/00/563956500.db2.gz VLWKJDGETNWPST-UHFFFAOYSA-N -1 3 322.821 3.887 50 0 DHAAHM O=C(OC[C@H]1CC1(Cl)Cl)c1cc(Cl)c(Cl)[n-]1 ZINC000026424361 1023345531 /nfs/dbraw/zinc/34/55/31/1023345531.db2.gz VGMARUDSUYETLW-SCSAIBSYSA-N -1 3 302.972 3.672 50 0 DHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2C1CCCCC1 ZINC000079480362 185173440 /nfs/dbraw/zinc/17/34/40/185173440.db2.gz AVVCCVVDSWYJSF-ZDUSSCGKSA-N -1 3 309.435 3.714 50 0 DHAAHM O=C1[N-]C(=O)/C(=C/c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000096925147 185391734 /nfs/dbraw/zinc/39/17/34/185391734.db2.gz VWDRIMIQWMUUTF-NTEUORMPSA-N -1 3 317.266 3.516 50 0 DHAAHM Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000000365123 180768209 /nfs/dbraw/zinc/76/82/09/180768209.db2.gz BPPSKNAPHRLTSB-LLVKDONJSA-N -1 3 305.761 3.760 50 0 DHAAHM Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c([O-])c1 ZINC000003569982 181036612 /nfs/dbraw/zinc/03/66/12/181036612.db2.gz IUCFEIJHVUSJEM-UHFFFAOYSA-N -1 3 320.186 3.644 50 0 DHAAHM COc1ccc(-c2n[nH]cc2Oc2ccc(F)cc2)c([O-])c1 ZINC000004643797 181131545 /nfs/dbraw/zinc/13/15/45/181131545.db2.gz JAGDONVYCBJONL-UHFFFAOYSA-N -1 3 300.289 3.722 50 0 DHAAHM COc1ccc(-c2n[nH]cc2Oc2ccccc2OC)c([O-])c1 ZINC000018152689 182095041 /nfs/dbraw/zinc/09/50/41/182095041.db2.gz FVDRIEZIALBMAQ-UHFFFAOYSA-N -1 3 312.325 3.592 50 0 DHAAHM C[C@H](c1n[n-]c(=S)n1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000019230005 182108776 /nfs/dbraw/zinc/10/87/76/182108776.db2.gz IROPFSZZIGTKJU-LLVKDONJSA-N -1 3 322.865 3.756 50 0 DHAAHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)cc1C ZINC000058430370 184116961 /nfs/dbraw/zinc/11/69/61/184116961.db2.gz ZEFAZJQJCXHAKN-GOSISDBHSA-N -1 3 320.396 3.552 50 0 DHAAHM CC(C)(C)c1ccc2cc(C(=O)Nc3ncccc3[O-])[nH]c2c1 ZINC000060372577 184147697 /nfs/dbraw/zinc/14/76/97/184147697.db2.gz GHOLGQAJEDLHJD-UHFFFAOYSA-N -1 3 309.369 3.818 50 0 DHAAHM COc1ccccc1-n1nc(C2CC2)nc1-c1ccccc1[O-] ZINC000065529989 184360976 /nfs/dbraw/zinc/36/09/76/184360976.db2.gz ZEHYQWDAZVTCJU-UHFFFAOYSA-N -1 3 307.353 3.526 50 0 DHAAHM [O-]c1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000284072 563235919 /nfs/dbraw/zinc/23/59/19/563235919.db2.gz BFLXEVWHUHAZGS-UHFFFAOYSA-N -1 3 322.393 3.590 50 0 DHAAHM CCCc1ccc(OCC(=O)c2ccc([O-])c(C)c2O)cc1 ZINC000000314904 563240151 /nfs/dbraw/zinc/24/01/51/563240151.db2.gz UTWJMUPFYHYKQT-UHFFFAOYSA-N -1 3 300.354 3.620 50 0 DHAAHM CCOc1cccc2cc(-c3nc4ccccc4[n-]3)c(=O)oc21 ZINC000000615483 563269986 /nfs/dbraw/zinc/26/99/86/563269986.db2.gz LQFXQMBEOUDGMD-UHFFFAOYSA-N -1 3 306.321 3.735 50 0 DHAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccccc2)on1 ZINC000002792762 563313477 /nfs/dbraw/zinc/31/34/77/563313477.db2.gz FITDMPCRAXRXQF-UHFFFAOYSA-N -1 3 300.264 3.872 50 0 DHAAHM CC(C)Oc1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000012382811 563367684 /nfs/dbraw/zinc/36/76/84/563367684.db2.gz BLDMRQYHSBIHBR-UHFFFAOYSA-N -1 3 323.389 3.555 50 0 DHAAHM CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1[O-] ZINC000013122989 563378004 /nfs/dbraw/zinc/37/80/04/563378004.db2.gz REQSKIDVCSYJER-UHFFFAOYSA-N -1 3 318.181 3.999 50 0 DHAAHM CCSCc1cc(=O)[n-]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000013469443 563381858 /nfs/dbraw/zinc/38/18/58/563381858.db2.gz DXLLCFGZOSNQHT-UHFFFAOYSA-N -1 3 314.332 3.709 50 0 DHAAHM Fc1ccccc1[N-]c1nnc(SC[C@H]2CCCO2)s1 ZINC000014023559 563394813 /nfs/dbraw/zinc/39/48/13/563394813.db2.gz ZQVNWMGUSXMGDW-SECBINFHSA-N -1 3 311.407 3.692 50 0 DHAAHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(F)cc1F ZINC000014291474 563400215 /nfs/dbraw/zinc/40/02/15/563400215.db2.gz UQCGDUPXHQNCQR-UHFFFAOYSA-N -1 3 317.744 3.560 50 0 DHAAHM O=S(=O)([N-]CC1(c2ccccc2)CCCC1)c1cccs1 ZINC000010667862 563416219 /nfs/dbraw/zinc/41/62/19/563416219.db2.gz OSBWGHYKABTIIR-UHFFFAOYSA-N -1 3 321.467 3.538 50 0 DHAAHM CN(Cn1nc(-c2cccs2)[n-]c1=S)C1CCCCC1 ZINC000025285884 563422000 /nfs/dbraw/zinc/42/20/00/563422000.db2.gz PGHIVKCFZNVBHX-UHFFFAOYSA-N -1 3 308.476 3.891 50 0 DHAAHM CN(C)/C=C\c1oc2ccc([O-])cc2c1C(=O)c1ccccc1 ZINC000149864662 563680372 /nfs/dbraw/zinc/68/03/72/563680372.db2.gz BCSHZJXLAPDKLG-KHPPLWFESA-N -1 3 307.349 3.902 50 0 DHAAHM Cc1nc(Cc2nc(-c3ccc(O)cc3[O-])cs2)cs1 ZINC000044914435 563686738 /nfs/dbraw/zinc/68/67/38/563686738.db2.gz XUKOPBJQKWGZQZ-UHFFFAOYSA-N -1 3 304.396 3.577 50 0 DHAAHM CCCOCc1nc(=O)c2c([n-]1)sc(C)c2-c1ccccc1 ZINC000063579655 563837661 /nfs/dbraw/zinc/83/76/61/563837661.db2.gz ATDWKRGNBXRBKJ-UHFFFAOYSA-N -1 3 314.410 3.887 50 0 DHAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(C)cc2C)c1 ZINC000252495995 563916194 /nfs/dbraw/zinc/91/61/94/563916194.db2.gz PEDGCEFBAVGWLA-UHFFFAOYSA-N -1 3 307.390 3.860 50 0 DHAAHM CC(C)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301216690 563918994 /nfs/dbraw/zinc/91/89/94/563918994.db2.gz YQWYBHKOCDDYOC-LLVKDONJSA-N -1 3 314.414 3.658 50 0 DHAAHM CCc1ccc2ncc(C(=O)c3ccc(Cl)cc3)c([O-])c2c1 ZINC000002461966 563929614 /nfs/dbraw/zinc/92/96/14/563929614.db2.gz NXANWGNXLPOODN-UHFFFAOYSA-N -1 3 311.768 3.975 50 0 DHAAHM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000008242084 563947292 /nfs/dbraw/zinc/94/72/92/563947292.db2.gz MCBGPJJFAQOWQX-UHFFFAOYSA-N -1 3 314.341 3.521 50 0 DHAAHM Cc1ccc(-c2cc([N-]C(=O)COc3cccc(C)c3)on2)cc1 ZINC000008869069 563950911 /nfs/dbraw/zinc/95/09/11/563950911.db2.gz WJLRSMWCRANXCF-UHFFFAOYSA-N -1 3 322.364 3.976 50 0 DHAAHM CN(Cc1ccccc1C(=O)[O-])Cc1cccc2cnccc21 ZINC000067983438 563950978 /nfs/dbraw/zinc/95/09/78/563950978.db2.gz HFBMGIGKFOGLOX-UHFFFAOYSA-N -1 3 306.365 3.565 50 0 DHAAHM CN(C)/C=C/c1oc2ccc([O-])cc2c1C(=O)c1ccccc1 ZINC000068705087 563951160 /nfs/dbraw/zinc/95/11/60/563951160.db2.gz BCSHZJXLAPDKLG-ZHACJKMWSA-N -1 3 307.349 3.902 50 0 DHAAHM CCCCCc1nnc([N-]C(=O)c2sc(C)nc2C)s1 ZINC000009250773 563954388 /nfs/dbraw/zinc/95/43/88/563954388.db2.gz SLTHQXHVJVLKKB-UHFFFAOYSA-N -1 3 310.448 3.596 50 0 DHAAHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1ncncc1Cl ZINC000095427932 185362023 /nfs/dbraw/zinc/36/20/23/185362023.db2.gz DWISAGNGNSGMKM-UHFFFAOYSA-N -1 3 323.805 3.673 50 0 DHAAHM CCc1ncsc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000095431332 185363301 /nfs/dbraw/zinc/36/33/01/185363301.db2.gz PVOPOHNYFJTRSR-UHFFFAOYSA-N -1 3 304.268 3.514 50 0 DHAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccccc1Cl ZINC000000295261 180750161 /nfs/dbraw/zinc/75/01/61/180750161.db2.gz IKJZEAQSFDCBPY-UHFFFAOYSA-N -1 3 302.182 3.794 50 0 DHAAHM COc1ccc(-c2n[nH]c(C)c2-c2csc(C)n2)c([O-])c1 ZINC000001278956 180852449 /nfs/dbraw/zinc/85/24/49/180852449.db2.gz QXCGQOMEAXUEGJ-UHFFFAOYSA-N -1 3 301.371 3.531 50 0 DHAAHM CSc1ncccc1C(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000003346618 181009836 /nfs/dbraw/zinc/00/98/36/181009836.db2.gz SWCOKCVAPJQMSU-UHFFFAOYSA-N -1 3 316.279 3.612 50 0 DHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C ZINC000003581421 181037185 /nfs/dbraw/zinc/03/71/85/181037185.db2.gz GLOFVDCOOSJHCG-UHFFFAOYSA-N -1 3 313.781 3.897 50 0 DHAAHM O=C([N-]c1nnc(-c2ccco2)o1)c1cc(Cl)ccc1Cl ZINC000004107335 181074190 /nfs/dbraw/zinc/07/41/90/181074190.db2.gz HDBMDIJCOJKDSW-UHFFFAOYSA-N -1 3 324.123 3.889 50 0 DHAAHM COc1cc(CN2CCCC[C@H]2C)cc(Br)c1[O-] ZINC000004989160 181186033 /nfs/dbraw/zinc/18/60/33/181186033.db2.gz XRBUOMBEQIQTJW-SNVBAGLBSA-N -1 3 314.223 3.538 50 0 DHAAHM O=C([N-]c1nonc1-c1ccc(Cl)cc1)c1cccs1 ZINC000005451147 181244528 /nfs/dbraw/zinc/24/45/28/181244528.db2.gz LTYHJNGJHACJMU-UHFFFAOYSA-N -1 3 305.746 3.704 50 0 DHAAHM CCC[C@@H]1CN(Cc2cc(C3CCCCC3)no2)C[C@H]1C(=O)[O-] ZINC000092106893 193160591 /nfs/dbraw/zinc/16/05/91/193160591.db2.gz WGFAZVPKFVRHLA-GDBMZVCRSA-N -1 3 320.433 3.655 50 0 DHAAHM CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000095974023 193469581 /nfs/dbraw/zinc/46/95/81/193469581.db2.gz YWZNZCKLUXCHNC-UHFFFAOYSA-N -1 3 309.724 3.836 50 0 DHAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(O)cc1[O-] ZINC000018067999 182092206 /nfs/dbraw/zinc/09/22/06/182092206.db2.gz YPMXAGDKLCZEPD-UHFFFAOYSA-N -1 3 312.325 3.679 50 0 DHAAHM C[C@H](C1CC1)n1[nH]cc2nc(-c3ccc([O-])cc3Cl)nc1-2 ZINC000020448850 182218736 /nfs/dbraw/zinc/21/87/36/182218736.db2.gz MSMNAPWAAPTDFY-MRVPVSSYSA-N -1 3 302.765 3.756 50 0 DHAAHM O=C([N-]c1cccnc1Cl)c1cc(-c2ccccc2F)no1 ZINC000020491417 182223998 /nfs/dbraw/zinc/22/39/98/182223998.db2.gz WPFBLYFQFCDLDA-UHFFFAOYSA-N -1 3 317.707 3.781 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1ccc(OCc2cccnc2)cc1 ZINC000024661922 182387164 /nfs/dbraw/zinc/38/71/64/182387164.db2.gz FGRJGJMNUVBEQM-UHFFFAOYSA-N -1 3 320.348 3.619 50 0 DHAAHM O=C(Nc1ncccc1[O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000024982364 182397236 /nfs/dbraw/zinc/39/72/36/182397236.db2.gz AURVJKGSUAFBSM-UHFFFAOYSA-N -1 3 322.389 3.867 50 0 DHAAHM Cc1nc2cc(NC(=O)c3cc(-c4ccco4)[n-]n3)ccc2s1 ZINC000038488938 183000535 /nfs/dbraw/zinc/00/05/35/183000535.db2.gz LIQAGJAQMYIKBX-UHFFFAOYSA-N -1 3 324.365 3.840 50 0 DHAAHM Cc1nc2cc(NC(=O)c3cc(-c4ccco4)n[n-]3)ccc2s1 ZINC000038488938 183000536 /nfs/dbraw/zinc/00/05/36/183000536.db2.gz LIQAGJAQMYIKBX-UHFFFAOYSA-N -1 3 324.365 3.840 50 0 DHAAHM O=C([N-]c1onc2c1CSC2)C1(c2cccs2)CCCC1 ZINC000038679829 183006383 /nfs/dbraw/zinc/00/63/83/183006383.db2.gz JHWGBJRGRBFZAG-UHFFFAOYSA-N -1 3 320.439 3.933 50 0 DHAAHM CN(Cc1ncccc1C(=O)[O-])C[C@@]1(c2ccccc2)CC1(C)C ZINC000065410822 184340399 /nfs/dbraw/zinc/34/03/99/184340399.db2.gz CGXRFPYLRJGRTK-HXUWFJFHSA-N -1 3 324.424 3.580 50 0 DHAAHM CCCCc1ccc(-c2noc3nc(CC)[n-]c(=O)c32)s1 ZINC000066089542 184388425 /nfs/dbraw/zinc/38/84/25/184388425.db2.gz JCTDXSJPORDJOU-UHFFFAOYSA-N -1 3 303.387 3.545 50 0 DHAAHM CCCCc1cc(C(=O)Cc2csc(C)n2)c(O)cc1[O-] ZINC000001886797 563796766 /nfs/dbraw/zinc/79/67/66/563796766.db2.gz ZUBFDQVPEIEKJL-UHFFFAOYSA-N -1 3 305.399 3.631 50 0 biogenic DHAAHM O=S(=O)([N-]C1CCCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000007141400 563336835 /nfs/dbraw/zinc/33/68/35/563336835.db2.gz HFYZZKWJJFZJEY-UHFFFAOYSA-N -1 3 322.257 3.995 50 0 DHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000000619196 563270583 /nfs/dbraw/zinc/27/05/83/563270583.db2.gz NEHHEQCYWQTQAB-UHFFFAOYSA-N -1 3 319.426 3.675 50 0 DHAAHM O=C(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1[O-] ZINC000002461961 563303707 /nfs/dbraw/zinc/30/37/07/563303707.db2.gz MCKISBOOSHURBK-UHFFFAOYSA-N -1 3 301.704 3.552 50 0 DHAAHM O=c1nc(-c2ccccn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000013598452 563383929 /nfs/dbraw/zinc/38/39/29/563383929.db2.gz IKCQYPIFZFLJAS-UHFFFAOYSA-N -1 3 305.362 3.714 50 0 DHAAHM c1csc(-c2nnc(Sc3ncnc4ccsc43)[n-]2)c1 ZINC000014137395 563396333 /nfs/dbraw/zinc/39/63/33/563396333.db2.gz NZQZGGSIWTVLON-UHFFFAOYSA-N -1 3 317.424 3.689 50 0 DHAAHM c1csc(-c2n[n-]c(Sc3ncnc4ccsc43)n2)c1 ZINC000014137395 563396336 /nfs/dbraw/zinc/39/63/36/563396336.db2.gz NZQZGGSIWTVLON-UHFFFAOYSA-N -1 3 317.424 3.689 50 0 DHAAHM c1csc(-c2nc(Sc3ncnc4ccsc43)n[n-]2)c1 ZINC000014137395 563396340 /nfs/dbraw/zinc/39/63/40/563396340.db2.gz NZQZGGSIWTVLON-UHFFFAOYSA-N -1 3 317.424 3.689 50 0 DHAAHM Cc1ncsc1CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095384200 563529843 /nfs/dbraw/zinc/52/98/43/563529843.db2.gz ABBMUIVGHKAWDP-OAHLLOKOSA-N -1 3 316.426 3.529 50 0 DHAAHM Cc1cc(OCC(=O)[N-]c2onc3c2CCCC3)ccc1Cl ZINC000011914319 563601857 /nfs/dbraw/zinc/60/18/57/563601857.db2.gz QAQVKYGFDWGZMO-UHFFFAOYSA-N -1 3 320.776 3.533 50 0 DHAAHM COc1ccc(CSc2n[n-]c(-c3cccs3)n2)cc1F ZINC000008493168 563625326 /nfs/dbraw/zinc/62/53/26/563625326.db2.gz MBMIXVVMRKDXRV-UHFFFAOYSA-N -1 3 321.402 3.973 50 0 DHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2[C@H]2CC=CCC2)C1 ZINC000102749708 563661963 /nfs/dbraw/zinc/66/19/63/563661963.db2.gz MWHXXHXFNHBNND-IINYFYTJSA-N -1 3 314.389 3.925 50 0 DHAAHM COc1ccc(C(=O)Nc2ncccc2[O-])cc1-c1ccccc1 ZINC000051341048 563679740 /nfs/dbraw/zinc/67/97/40/563679740.db2.gz CWTSWWIAGPEPST-UHFFFAOYSA-N -1 3 320.348 3.715 50 0 DHAAHM O=C([N-]c1nnc(-c2ccccc2Cl)o1)c1cccs1 ZINC000001053773 563787657 /nfs/dbraw/zinc/78/76/57/563787657.db2.gz AHJGLMKZROXYJL-UHFFFAOYSA-N -1 3 305.746 3.704 50 0 DHAAHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000183040056 563793984 /nfs/dbraw/zinc/79/39/84/563793984.db2.gz LUORGMNXITWJID-NWDGAFQWSA-N -1 3 303.308 3.721 50 0 DHAAHM Cc1cccc([O-])c1NC(=O)Cc1cccc(Br)c1 ZINC000183040277 563794065 /nfs/dbraw/zinc/79/40/65/563794065.db2.gz QHSARNSXMDEZGY-UHFFFAOYSA-N -1 3 320.186 3.644 50 0 DHAAHM C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000095971283 563933449 /nfs/dbraw/zinc/93/34/49/563933449.db2.gz VVXMIHUYOJACPI-NSHDSACASA-N -1 3 323.845 3.739 50 0 DHAAHM CC(C)Cc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000002632311 563939703 /nfs/dbraw/zinc/93/97/03/563939703.db2.gz HACYOSGLIBJPIB-UHFFFAOYSA-N -1 3 313.785 3.781 50 0 DHAAHM c1csc(-c2nc(SCCOc3ccccc3)n[n-]2)c1 ZINC000008735003 563950440 /nfs/dbraw/zinc/95/04/40/563950440.db2.gz BQZRQIFXNYEHJF-UHFFFAOYSA-N -1 3 303.412 3.704 50 0 DHAAHM COc1ccc(-c2nc(C)c(-c3ccc(=S)[n-]n3)s2)cc1 ZINC000070635265 563956870 /nfs/dbraw/zinc/95/68/70/563956870.db2.gz YQINKKJYVGCQKE-UHFFFAOYSA-N -1 3 315.423 3.873 50 0 DHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2C1CCCCC1 ZINC000079480366 185173382 /nfs/dbraw/zinc/17/33/82/185173382.db2.gz AVVCCVVDSWYJSF-CYBMUJFWSA-N -1 3 309.435 3.714 50 0 DHAAHM O=C(CCCc1ccccc1)[N-]c1nc2ccccc2c(=O)s1 ZINC000096905821 185390744 /nfs/dbraw/zinc/39/07/44/185390744.db2.gz QMBOZLGNPMVERZ-UHFFFAOYSA-N -1 3 324.405 3.618 50 0 in-vitro DHAAHM C/C=C\c1cc(C(=O)Nc2ccccc2[O-])cc(OC)c1OC ZINC000096930734 185392599 /nfs/dbraw/zinc/39/25/99/185392599.db2.gz HZQSDLZSWZQNBR-DAXSKMNVSA-N -1 3 313.353 3.695 50 0 DHAAHM O=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)n[n-]1 ZINC000096997889 185395953 /nfs/dbraw/zinc/39/59/53/185395953.db2.gz IGMBWQCULBMKRG-UHFFFAOYSA-N -1 3 308.746 3.742 50 0 DHAAHM O=C(OCc1ccc(Cl)s1)c1cc(-c2ccco2)[n-]n1 ZINC000096997889 185395954 /nfs/dbraw/zinc/39/59/54/185395954.db2.gz IGMBWQCULBMKRG-UHFFFAOYSA-N -1 3 308.746 3.742 50 0 DHAAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccccc3Cl)C12 ZINC000102739698 185419804 /nfs/dbraw/zinc/41/98/04/185419804.db2.gz YRVNZQNMOGTGEV-ZDUSSCGKSA-N -1 3 316.748 3.958 50 0 DHAAHM Cc1noc([N-]C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C ZINC000072300842 191115688 /nfs/dbraw/zinc/11/56/88/191115688.db2.gz OZHUAHUYZJWBLH-CYBMUJFWSA-N -1 3 316.401 3.995 50 0 DHAAHM Cc1ccc(NC(=O)COc2cccc3ccccc32)c([O-])c1 ZINC000003518771 181029130 /nfs/dbraw/zinc/02/91/30/181029130.db2.gz NRAOKXFXPBZCNW-UHFFFAOYSA-N -1 3 307.349 3.871 50 0 DHAAHM O=C([N-]c1cc(Cl)ccn1)c1c(F)c(F)c(F)c(F)c1F ZINC000004652598 181132317 /nfs/dbraw/zinc/13/23/17/181132317.db2.gz MVQXZPAJSTVTLT-UHFFFAOYSA-N -1 3 322.620 3.683 50 0 DHAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(C)C)c1Cl ZINC000020821945 182247825 /nfs/dbraw/zinc/24/78/25/182247825.db2.gz GSDMUCAQYDYBDO-UHFFFAOYSA-N -1 3 310.246 3.545 50 0 DHAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[O-] ZINC000021143518 182266776 /nfs/dbraw/zinc/26/67/76/182266776.db2.gz WIBUYCZZOTUKAK-UHFFFAOYSA-N -1 3 305.761 3.842 50 0 DHAAHM CC(C)(C)c1cc([N-]C(=O)c2cc(-c3ccccc3)on2)on1 ZINC000038488869 183000308 /nfs/dbraw/zinc/00/03/08/183000308.db2.gz QHPYVPDBMUKEOL-UHFFFAOYSA-N -1 3 311.341 3.879 50 0 DHAAHM O=C1[N-]C(=O)/C(=C/c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000040009550 183027120 /nfs/dbraw/zinc/02/71/20/183027120.db2.gz UYHGDDPGPYKWKD-NTUHNPAUSA-N -1 3 318.159 3.804 50 0 DHAAHM Cc1nc(Nc2ccc(F)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000041595799 183207842 /nfs/dbraw/zinc/20/78/42/183207842.db2.gz HNGAHJAMUUZQIO-UHFFFAOYSA-N -1 3 309.344 3.552 50 0 DHAAHM COc1ccc(Cl)cc1CC(=O)Nc1ccc(C)cc1[O-] ZINC000007960397 563929829 /nfs/dbraw/zinc/92/98/29/563929829.db2.gz DVXMLFGVALLQCW-UHFFFAOYSA-N -1 3 305.761 3.544 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C ZINC000000617729 563270281 /nfs/dbraw/zinc/27/02/81/563270281.db2.gz AECRUAUUHULBEP-UHFFFAOYSA-N -1 3 319.426 3.928 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1 ZINC000007053939 563335900 /nfs/dbraw/zinc/33/59/00/563335900.db2.gz RHAVBZNBRHJUQL-UHFFFAOYSA-N -1 3 319.426 3.794 50 0 DHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Cl)c1 ZINC000007403946 563338481 /nfs/dbraw/zinc/33/84/81/563338481.db2.gz SVOSKLNRZVZULL-UHFFFAOYSA-N -1 3 317.744 3.727 50 0 DHAAHM O=C([N-]c1nnc(CSc2ccccc2)s1)c1ccco1 ZINC000009355786 563353791 /nfs/dbraw/zinc/35/37/91/563353791.db2.gz ZNPBHDHTQYAMGN-UHFFFAOYSA-N -1 3 317.395 3.676 50 0 DHAAHM [O-]c1cc(O)ccc1-c1csc(NCCc2ccccc2)n1 ZINC000014184492 563397810 /nfs/dbraw/zinc/39/78/10/563397810.db2.gz BHIFXJINYNKVFO-UHFFFAOYSA-N -1 3 312.394 3.876 50 0 DHAAHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000014255547 563399855 /nfs/dbraw/zinc/39/98/55/563399855.db2.gz NPVWGGHQPAIHSB-UHFFFAOYSA-N -1 3 303.427 3.975 50 0 DHAAHM O=S(=O)([N-]C1CCC(c2ccccc2)CC1)c1cccs1 ZINC000032825740 563399881 /nfs/dbraw/zinc/39/98/81/563399881.db2.gz RGOOBYZAMDKYFO-UHFFFAOYSA-N -1 3 321.467 3.753 50 0 DHAAHM O=C([O-])C[C@@H]1CCCCN1Cc1ccccc1C(F)(F)F ZINC000038027337 563418993 /nfs/dbraw/zinc/41/89/93/563418993.db2.gz MTANGHYOVORMOU-LBPRGKRZSA-N -1 3 301.308 3.535 50 0 DHAAHM CCCN(Cc1ccccc1OC)Cc1ccccc1C(=O)[O-] ZINC000055360080 563474243 /nfs/dbraw/zinc/47/42/43/563474243.db2.gz XYEMIFBZITWPRW-UHFFFAOYSA-N -1 3 313.397 3.806 50 0 DHAAHM COc1ccc(Cl)c2c(=O)c(CN3CCCC3)c(C)[n-]c12 ZINC000008717391 563523291 /nfs/dbraw/zinc/52/32/91/563523291.db2.gz RLQWBSUNPXQHJD-UHFFFAOYSA-N -1 3 306.793 3.507 50 0 DHAAHM O=C1CS[C@H](c2ccccc2F)N1c1cc(Cl)ccc1[O-] ZINC000000424043 563612150 /nfs/dbraw/zinc/61/21/50/563612150.db2.gz CTEPPQNTKSEGLH-OAHLLOKOSA-N -1 3 323.776 3.963 50 0 DHAAHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccco1 ZINC000000456385 563616727 /nfs/dbraw/zinc/61/67/27/563616727.db2.gz CQLAYQULWGXRQZ-UHFFFAOYSA-N -1 3 305.746 3.704 50 0 DHAAHM O=C1CCCC2=Nc3nonc3[N-][C@H](c3cccc(Cl)c3)C12 ZINC000102750959 563662577 /nfs/dbraw/zinc/66/25/77/563662577.db2.gz SUTOXAIZGFTYNY-CYBMUJFWSA-N -1 3 316.748 3.958 50 0 DHAAHM CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000001197900 563793744 /nfs/dbraw/zinc/79/37/44/563793744.db2.gz GYJRAEPKMWNQLN-UHFFFAOYSA-N -1 3 312.369 3.629 50 0 DHAAHM Cc1nsc([N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000170061320 563903218 /nfs/dbraw/zinc/90/32/18/563903218.db2.gz ZEEGMMNKPIOTFC-HNNXBMFYSA-N -1 3 324.409 3.638 50 0 DHAAHM Cc1nsc([N-][C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000170061323 563903345 /nfs/dbraw/zinc/90/33/45/563903345.db2.gz ZEEGMMNKPIOTFC-OAHLLOKOSA-N -1 3 324.409 3.638 50 0 DHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000007403688 563906115 /nfs/dbraw/zinc/90/61/15/563906115.db2.gz LJALAMAMJLGKDC-UHFFFAOYSA-N -1 3 313.781 3.897 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](C(C)C)S1 ZINC000096118040 563935486 /nfs/dbraw/zinc/93/54/86/563935486.db2.gz SEOCZJVLWDBOQT-WCQYABFASA-N -1 3 323.462 3.800 50 0 DHAAHM Cc1ccc(NC(=O)COc2cc(C)ccc2Cl)c([O-])c1 ZINC000008378852 563948241 /nfs/dbraw/zinc/94/82/41/563948241.db2.gz LWDWDMHXXHAMTC-UHFFFAOYSA-N -1 3 305.761 3.680 50 0 DHAAHM O=C(OC[C@@H]1CC1(Cl)Cl)c1cc(Cl)c(Cl)[n-]1 ZINC000026424357 1023345108 /nfs/dbraw/zinc/34/51/08/1023345108.db2.gz VGMARUDSUYETLW-BYPYZUCNSA-N -1 3 302.972 3.672 50 0 DHAAHM O=C(CCSCc1ccccn1)Nc1cc(Cl)ccc1[O-] ZINC000095443565 185367010 /nfs/dbraw/zinc/36/70/10/185367010.db2.gz XYDGGVVGAUOGMF-UHFFFAOYSA-N -1 3 322.817 3.703 50 0 DHAAHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1nc[n-]n1 ZINC000004272379 181090620 /nfs/dbraw/zinc/09/06/20/181090620.db2.gz BKTZLHNYEJDQDF-UHFFFAOYSA-N -1 3 314.732 3.503 50 0 DHAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)c1c[nH]c2ccccc21 ZINC000005731703 181278628 /nfs/dbraw/zinc/27/86/28/181278628.db2.gz AGGRXXUFSFJSSA-UHFFFAOYSA-N -1 3 324.365 3.521 50 0 DHAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)c1c[nH]c2ccccc21 ZINC000005731703 181278631 /nfs/dbraw/zinc/27/86/31/181278631.db2.gz AGGRXXUFSFJSSA-UHFFFAOYSA-N -1 3 324.365 3.521 50 0 DHAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)c1c[nH]c2ccccc21 ZINC000005731703 181278633 /nfs/dbraw/zinc/27/86/33/181278633.db2.gz AGGRXXUFSFJSSA-UHFFFAOYSA-N -1 3 324.365 3.521 50 0 DHAAHM COc1cc(/C=C2\c3ccccc3N(C)C2=O)cc(Cl)c1[O-] ZINC000006431553 181340778 /nfs/dbraw/zinc/34/07/78/181340778.db2.gz DWCMLBWWEXBESV-KPKJPENVSA-N -1 3 315.756 3.571 50 0 DHAAHM Cc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)c([O-])c1 ZINC000006454120 181342292 /nfs/dbraw/zinc/34/22/92/181342292.db2.gz FQDIOAQNLCIWNI-UHFFFAOYSA-N -1 3 311.381 3.919 50 0 DHAAHM O=C1[N-]C(=O)/C(=C\c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000015661967 182010621 /nfs/dbraw/zinc/01/06/21/182010621.db2.gz VWDRIMIQWMUUTF-ZROIWOOFSA-N -1 3 317.266 3.516 50 0 DHAAHM Cn1cc(Cl)cc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000021006859 182259237 /nfs/dbraw/zinc/25/92/37/182259237.db2.gz GXDBVTSKDZJCAJ-UHFFFAOYSA-N -1 3 306.793 3.934 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC000030603132 331621262 /nfs/dbraw/zinc/62/12/62/331621262.db2.gz XMMCOMIAXRGPNN-UHFFFAOYSA-N -1 3 319.364 3.708 50 0 DHAAHM CC(C)(C)c1csc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000299745219 526832376 /nfs/dbraw/zinc/83/23/76/526832376.db2.gz WUKPESANBYBEGQ-XQQFMLRXSA-N -1 3 322.474 3.658 50 0 DHAAHM 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ZINC000008869127 563951151 /nfs/dbraw/zinc/95/11/51/563951151.db2.gz ZJEPIBUJOXEXLJ-UHFFFAOYSA-N -1 3 308.337 3.668 50 0 DHAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(O)c(C)c2[O-])c1 ZINC000008973445 563951630 /nfs/dbraw/zinc/95/16/30/563951630.db2.gz MOJCHHONVQEMQS-UHFFFAOYSA-N -1 3 312.325 3.597 50 0 DHAAHM O=C([N-]c1nnc(-c2cc3ccccc3o2)o1)c1ccccc1F ZINC000009169603 563953751 /nfs/dbraw/zinc/95/37/51/563953751.db2.gz UZVZYOLEJGJGCW-UHFFFAOYSA-N -1 3 323.283 3.874 50 0 DHAAHM Cc1cc(C)c2c(=O)[n-]c(SCc3ccc(F)cc3)nc2n1 ZINC000009364749 563955445 /nfs/dbraw/zinc/95/54/45/563955445.db2.gz BLBFWOBOCPTAAJ-UHFFFAOYSA-N -1 3 315.373 3.779 50 0 DHAAHM [O-]c1cc(O)ccc1-c1csc(NCc2ccc(F)cc2)n1 ZINC000009604212 563957081 /nfs/dbraw/zinc/95/70/81/563957081.db2.gz JQUGOQLXZMOBDX-UHFFFAOYSA-N -1 3 316.357 3.973 50 0 DHAAHM CCc1cccc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)c1 ZINC000009728713 563957632 /nfs/dbraw/zinc/95/76/32/563957632.db2.gz LXUZCJGTZWDCQE-UHFFFAOYSA-N -1 3 319.364 3.784 50 0 DHAAHM CCc1cccc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)c1 ZINC000009728713 563957633 /nfs/dbraw/zinc/95/76/33/563957633.db2.gz LXUZCJGTZWDCQE-UHFFFAOYSA-N -1 3 319.364 3.784 50 0 DHAAHM O=c1nc([C@@H]2CSCCS2)[n-]c2sc3ccccc3c21 ZINC000079927919 1027011242 /nfs/dbraw/zinc/01/12/42/1027011242.db2.gz ASINOZDPADENDB-JTQLQIEISA-N -1 3 320.464 3.659 50 0 DHAAHM COc1cccc(-c2nsc([N-]C(=O)c3cccs3)n2)c1 ZINC000072238596 191081818 /nfs/dbraw/zinc/08/18/18/191081818.db2.gz QINYMACGURWWBK-UHFFFAOYSA-N -1 3 317.395 3.528 50 0 DHAAHM COc1ccc(-c2ccnc3c(-c4ccccc4)cnn32)c([O-])c1 ZINC000072403865 191151722 /nfs/dbraw/zinc/15/17/22/191151722.db2.gz QOBVJSMSJGGZHX-UHFFFAOYSA-N -1 3 317.348 3.778 50 0 DHAAHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])cc(Cl)c1OC ZINC000003569955 181036581 /nfs/dbraw/zinc/03/65/81/181036581.db2.gz NXYVRODSRVKZGU-UHFFFAOYSA-N -1 3 321.760 3.624 50 0 DHAAHM CC[C@H](C)Oc1ccc(C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000004695945 181137531 /nfs/dbraw/zinc/13/75/31/181137531.db2.gz TVKFIFKCFCRHJY-OTIXFSKASA-N -1 3 311.790 3.841 50 0 DHAAHM Nc1oc2ccc(Cl)cc2c(=O)c1-c1nc2ccccc2[n-]1 ZINC000005020372 181191772 /nfs/dbraw/zinc/19/17/72/181191772.db2.gz OSQNJJMITXUNGT-UHFFFAOYSA-N -1 3 311.728 3.572 50 0 DHAAHM Cc1ccc(C(=O)Sc2n[n-]c(-c3cccs3)n2)cc1 ZINC000006404512 181338337 /nfs/dbraw/zinc/33/83/37/181338337.db2.gz COQJMTMIUSMYSY-UHFFFAOYSA-N -1 3 301.396 3.774 50 0 DHAAHM Cc1ccc(C(=O)Sc2nnc(-c3cccs3)[n-]2)cc1 ZINC000006404512 181338332 /nfs/dbraw/zinc/33/83/32/181338332.db2.gz COQJMTMIUSMYSY-UHFFFAOYSA-N -1 3 301.396 3.774 50 0 DHAAHM Cc1ccc(C(=O)Sc2nc(-c3cccs3)n[n-]2)cc1 ZINC000006404512 181338334 /nfs/dbraw/zinc/33/83/34/181338334.db2.gz COQJMTMIUSMYSY-UHFFFAOYSA-N -1 3 301.396 3.774 50 0 DHAAHM Cc1ncsc1CN1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095374487 193436759 /nfs/dbraw/zinc/43/67/59/193436759.db2.gz TWYWKOSSTMMZDU-OAHLLOKOSA-N -1 3 316.426 3.529 50 0 DHAAHM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000016130695 182035481 /nfs/dbraw/zinc/03/54/81/182035481.db2.gz BHKGQLQYORIYBW-UHFFFAOYSA-N -1 3 305.374 3.505 50 0 DHAAHM COc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2[O-])cc1 ZINC000018083446 182092836 /nfs/dbraw/zinc/09/28/36/182092836.db2.gz AZSKFDMVCSRCDG-UHFFFAOYSA-N -1 3 312.325 3.597 50 0 DHAAHM Cc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000121341435 256586104 /nfs/dbraw/zinc/58/61/04/256586104.db2.gz VJMBKYUDWAQMPS-UHFFFAOYSA-N -1 3 322.364 3.531 50 0 DHAAHM COc1ccccc1C(=O)[N-]c1c(F)c(F)c(F)c(F)c1F ZINC000002084214 563299494 /nfs/dbraw/zinc/29/94/94/563299494.db2.gz PSOUGVINSCFPDM-UHFFFAOYSA-N -1 3 317.213 3.643 50 0 DHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000007405107 563338617 /nfs/dbraw/zinc/33/86/17/563338617.db2.gz MPGBLLWOTAOIFD-UHFFFAOYSA-N -1 3 311.353 3.889 50 0 DHAAHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000032721949 563384844 /nfs/dbraw/zinc/38/48/44/563384844.db2.gz DAIWYVLHHYASEO-UHFFFAOYSA-N -1 3 314.341 3.907 50 0 DHAAHM O=C1Nc2ccc(Br)cc2/C1=C/c1ccc([O-])cc1 ZINC000015016128 563405361 /nfs/dbraw/zinc/40/53/61/563405361.db2.gz MGJIKOYBVLSOTM-QPEQYQDCSA-N -1 3 316.154 3.647 50 0 DHAAHM COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000023951736 563420446 /nfs/dbraw/zinc/42/04/46/563420446.db2.gz CAVZQAXCACMIAN-NSHDSACASA-N -1 3 311.337 3.638 50 0 DHAAHM CC(=O)n1cc([C@H]2OC(=O)C(C)=C([O-])C2(C)C)c2ccccc21 ZINC000100754228 563450707 /nfs/dbraw/zinc/45/07/07/563450707.db2.gz CDLCKCRMKMNNOY-MRXNPFEDSA-N -1 3 313.353 3.758 50 0 biogenic DHAAHM Cc1ccc(-c2ocnc2C(=O)[N-]c2cc(F)ccc2F)o1 ZINC000033049067 563477267 /nfs/dbraw/zinc/47/72/67/563477267.db2.gz XVUGCZLCEVHUAC-UHFFFAOYSA-N -1 3 304.252 3.774 50 0 DHAAHM O=C([N-]c1nc(C2CC2)cs1)c1cc(-c2ccccc2)no1 ZINC000033167649 563499137 /nfs/dbraw/zinc/49/91/37/563499137.db2.gz CGKNWBMABJYLAH-UHFFFAOYSA-N -1 3 311.366 3.928 50 0 DHAAHM CCc1cc(C(=O)[N-]c2nncs2)sc1-c1ccccc1 ZINC000585152349 563522687 /nfs/dbraw/zinc/52/26/87/563522687.db2.gz RYTHWARCOMFJRQ-UHFFFAOYSA-N -1 3 315.423 4.081 50 0 DHAAHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(F)cc1Cl ZINC000044253500 563598609 /nfs/dbraw/zinc/59/86/09/563598609.db2.gz YGDQXTQXDVLYIY-UHFFFAOYSA-N -1 3 321.707 3.558 50 0 DHAAHM Cc1ccc(O[C@@H](C)C(=O)[N-]c2onc3c2CCCC3)cc1C ZINC000011915003 563602350 /nfs/dbraw/zinc/60/23/50/563602350.db2.gz SVAUFSSUNKPUOZ-ZDUSSCGKSA-N -1 3 314.385 3.576 50 0 DHAAHM O=C(c1ccc(O)cc1[O-])N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000127988946 563605247 /nfs/dbraw/zinc/60/52/47/563605247.db2.gz NJDISOVXOLCZHS-FOIQADDNSA-N -1 3 323.392 3.639 50 0 DHAAHM O=c1c([O-])c(-c2ccc3c(c2)OCO3)oc2ccc(Cl)cc12 ZINC000033968182 563618558 /nfs/dbraw/zinc/61/85/58/563618558.db2.gz YCSHECRLWLRDMM-UHFFFAOYSA-N -1 3 316.696 3.548 50 0 DHAAHM O=C([O-])CCCN1CCc2sccc2[C@H]1c1cccs1 ZINC000116339423 563802788 /nfs/dbraw/zinc/80/27/88/563802788.db2.gz ISHZZMZPKCMSKS-HNNXBMFYSA-N -1 3 307.440 3.622 50 0 DHAAHM O=c1[n-]nc(-c2ccccc2)c2cn(-c3ccccc3Cl)nc21 ZINC000075284372 563862883 /nfs/dbraw/zinc/86/28/83/563862883.db2.gz IFOUACPAUJGXEH-UHFFFAOYSA-N -1 3 322.755 3.842 50 0 DHAAHM Cc1cc(C)cc([C@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)c1 ZINC000170626789 563908873 /nfs/dbraw/zinc/90/88/73/563908873.db2.gz RSIMUGBWABCPKY-GOSISDBHSA-N -1 3 320.396 3.552 50 0 DHAAHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OCc1ccccc1 ZINC000007791487 563919450 /nfs/dbraw/zinc/91/94/50/563919450.db2.gz DTKNGDLBODFQCW-UHFFFAOYSA-N -1 3 310.180 3.784 50 0 DHAAHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1Br ZINC000080063713 563930954 /nfs/dbraw/zinc/93/09/54/563930954.db2.gz OAOWADLYDWERQN-UHFFFAOYSA-N -1 3 306.159 3.715 50 0 DHAAHM CC[C@H](c1nnc([N-]C(=O)c2ccco2)s1)c1ccccc1 ZINC000008766825 563950748 /nfs/dbraw/zinc/95/07/48/563950748.db2.gz RQJHXIUERPEMPR-LBPRGKRZSA-N -1 3 313.382 3.925 50 0 DHAAHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cnn[n-]1 ZINC000069518983 563953275 /nfs/dbraw/zinc/95/32/75/563953275.db2.gz IJXIODQJKWSSGQ-CYBMUJFWSA-N -1 3 322.368 3.505 50 0 DHAAHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1c[n-]nn1 ZINC000069518983 563953276 /nfs/dbraw/zinc/95/32/76/563953276.db2.gz IJXIODQJKWSSGQ-CYBMUJFWSA-N -1 3 322.368 3.505 50 0 DHAAHM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cn[n-]n1 ZINC000069518983 563953277 /nfs/dbraw/zinc/95/32/77/563953277.db2.gz IJXIODQJKWSSGQ-CYBMUJFWSA-N -1 3 322.368 3.505 50 0 DHAAHM Cc1nc(-c2ccccc2[O-])n(-c2nc3ccccc3s2)n1 ZINC000009142720 563953505 /nfs/dbraw/zinc/95/35/05/563953505.db2.gz VWSAPXWYBPCIGD-UHFFFAOYSA-N -1 3 308.366 3.558 50 0 DHAAHM O=C1[N-]C(=O)/C(=C\c2cccc(Cl)c2Cl)c2ccccc21 ZINC000069815457 563954838 /nfs/dbraw/zinc/95/48/38/563954838.db2.gz YKADGSZUISBCOK-WQLSENKSSA-N -1 3 318.159 3.804 50 0 DHAAHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2ccccc2o1 ZINC000009544366 563956710 /nfs/dbraw/zinc/95/67/10/563956710.db2.gz BIQWTVFFTFNWEX-UHFFFAOYSA-N -1 3 311.322 3.797 50 0 DHAAHM Cc1cccc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)c1C ZINC000009728605 563957644 /nfs/dbraw/zinc/95/76/44/563957644.db2.gz OTANZINKWFPVSX-UHFFFAOYSA-N -1 3 319.364 3.838 50 0 DHAAHM Cc1cccc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)c1C ZINC000009728605 563957646 /nfs/dbraw/zinc/95/76/46/563957646.db2.gz OTANZINKWFPVSX-UHFFFAOYSA-N -1 3 319.364 3.838 50 0 DHAAHM Cc1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c(C)s1 ZINC000159729017 1035086020 /nfs/dbraw/zinc/08/60/20/1035086020.db2.gz GIKSYCPISBEBBA-UHFFFAOYSA-N -1 3 305.186 3.752 50 0 DHAAHM O=C(N[C@H]1CCc2ccccc21)c1c[n-]nc1-c1cccs1 ZINC000072329480 191123852 /nfs/dbraw/zinc/12/38/52/191123852.db2.gz CYSSRIBUEWPUGN-AWEZNQCLSA-N -1 3 309.394 3.556 50 0 DHAAHM CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3[O-])on2)cc1 ZINC000003908576 181056635 /nfs/dbraw/zinc/05/66/35/181056635.db2.gz QHNCCOUVHOHRRU-UHFFFAOYSA-N -1 3 322.320 3.502 50 0 DHAAHM CC(C)c1cc(CN2CCC(C(=O)[O-])CC2)cc(C(C)C)c1O ZINC000004038419 181065623 /nfs/dbraw/zinc/06/56/23/181065623.db2.gz ZDWFKVOCKKVZCL-UHFFFAOYSA-N -1 3 319.445 3.936 50 0 DHAAHM O=C([N-]c1nnc(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000004276173 181091800 /nfs/dbraw/zinc/09/18/00/181091800.db2.gz MPMRVGFJURSEGW-UHFFFAOYSA-N -1 3 305.746 3.704 50 0 DHAAHM O=C([N-]c1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccco1 ZINC000004479416 181112654 /nfs/dbraw/zinc/11/26/54/181112654.db2.gz AAMFTIDAGIGIIX-UHFFFAOYSA-N -1 3 324.123 3.889 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1C ZINC000004809529 181154625 /nfs/dbraw/zinc/15/46/25/181154625.db2.gz GPUDOGXXOUZIBJ-UHFFFAOYSA-N -1 3 319.426 3.757 50 0 DHAAHM C[C@@H]1CCc2c(sc3[n-]c(-c4cccs4)nc(=O)c23)C1 ZINC000005093167 181203125 /nfs/dbraw/zinc/20/31/25/181203125.db2.gz NFUCLQCLNTZORC-MRVPVSSYSA-N -1 3 302.424 3.838 50 0 DHAAHM CSc1ccccc1-c1nnc([N-]C(=O)c2cccs2)o1 ZINC000005240171 181220584 /nfs/dbraw/zinc/22/05/84/181220584.db2.gz SRCQLKRVBHDEDH-UHFFFAOYSA-N -1 3 317.395 3.772 50 0 DHAAHM COC(=O)c1cc(-c2ccccc2)cc(Br)c1[O-] ZINC000080943385 192204171 /nfs/dbraw/zinc/20/41/71/192204171.db2.gz NVEYPUXDUGVYHA-UHFFFAOYSA-N -1 3 307.143 3.608 50 0 DHAAHM Cc1cc(Cl)ccc1OCCCC(=O)Nc1ncccc1[O-] ZINC000005688629 181272777 /nfs/dbraw/zinc/27/27/77/181272777.db2.gz VPLPRPMWVSREGY-UHFFFAOYSA-N -1 3 320.776 3.547 50 0 DHAAHM Cc1cccc(C)c1OCc1n[n-]c(=S)n1-c1ccccc1 ZINC000005926869 181297445 /nfs/dbraw/zinc/29/74/45/181297445.db2.gz LWXUOBXLPCBGRG-UHFFFAOYSA-N -1 3 311.410 3.752 50 0 DHAAHM Cc1ccc(NC(=O)c2cc(-c3ccccn3)[n-]n2)cc1Cl ZINC000015785552 182017176 /nfs/dbraw/zinc/01/71/76/182017176.db2.gz RRRJIELWIILXJT-UHFFFAOYSA-N -1 3 312.760 3.686 50 0 DHAAHM C[C@@H](Oc1ccc(Cl)cc1Cl)c1n[n-]c(=S)n1C ZINC000017031014 182068770 /nfs/dbraw/zinc/06/87/70/182068770.db2.gz BQBBYASDIKCXHE-ZCFIWIBFSA-N -1 3 304.202 3.924 50 0 DHAAHM [O-]c1coc2cc(OCc3ccc(Br)cc3)ccc12 ZINC000040217199 331681388 /nfs/dbraw/zinc/68/13/88/331681388.db2.gz LITQJAYHQVGYHF-UHFFFAOYSA-N -1 3 319.154 3.603 50 0 DHAAHM CCc1ccc(-c2csc([N-]C(=O)c3cc(C)no3)n2)s1 ZINC000008772381 563950737 /nfs/dbraw/zinc/95/07/37/563950737.db2.gz JISRBSYEDDYHHF-UHFFFAOYSA-N -1 3 319.411 3.983 50 0 DHAAHM O=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000002881889 563316958 /nfs/dbraw/zinc/31/69/58/563316958.db2.gz LUKUULZMZLTXQA-UHFFFAOYSA-N -1 3 311.765 3.916 50 0 DHAAHM CC1(C)c2ccccc2-n2c1cc([O-])c(-c1ccccc1)c2=O ZINC000000173828 563227770 /nfs/dbraw/zinc/22/77/70/563227770.db2.gz NRUGYDUILZXRQW-UHFFFAOYSA-N -1 3 303.361 3.849 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C)c1 ZINC000000183412 563228624 /nfs/dbraw/zinc/22/86/24/563228624.db2.gz CBPNHFNFJDOCHC-UHFFFAOYSA-N -1 3 311.353 3.691 50 0 DHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000358313 563244462 /nfs/dbraw/zinc/24/44/62/563244462.db2.gz MTDOMJONLZHDLA-UHFFFAOYSA-N -1 3 313.378 3.649 50 0 DHAAHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000000380173 563247509 /nfs/dbraw/zinc/24/75/09/563247509.db2.gz ASDUWAWRJPDXAX-UHFFFAOYSA-N -1 3 303.427 3.975 50 0 DHAAHM CSc1nnc([N-]C(=O)c2c(Cl)cccc2Cl)s1 ZINC000001045825 563275289 /nfs/dbraw/zinc/27/52/89/563275289.db2.gz KMIGDEFTTLCRAN-UHFFFAOYSA-N -1 3 320.226 3.819 50 0 DHAAHM Cc1ccc(-n2c(COc3ccccc3)n[n-]c2=S)c(C)c1 ZINC000002544684 563308272 /nfs/dbraw/zinc/30/82/72/563308272.db2.gz ZOGLRELNAWAHIZ-UHFFFAOYSA-N -1 3 311.410 3.752 50 0 DHAAHM CCOc1ccc(-c2n[nH]cc2-c2csc(C)n2)c([O-])c1 ZINC000013125401 563378331 /nfs/dbraw/zinc/37/83/31/563378331.db2.gz IJHSEYRNPRHZPH-UHFFFAOYSA-N -1 3 301.371 3.613 50 0 DHAAHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(F)c(F)c1 ZINC000014256162 563399467 /nfs/dbraw/zinc/39/94/67/563399467.db2.gz BRXYNNXPTWWFHS-UHFFFAOYSA-N -1 3 321.707 3.558 50 0 DHAAHM CCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000014255664 563399472 /nfs/dbraw/zinc/39/94/72/563399472.db2.gz CNILAUNKBSOFNK-UHFFFAOYSA-N -1 3 303.427 3.975 50 0 DHAAHM COc1ccc([N-]c2nc(-c3ccccc3F)no2)c(OC)c1 ZINC000071928069 563411664 /nfs/dbraw/zinc/41/16/64/563411664.db2.gz CVSGEQBYGKNCFG-UHFFFAOYSA-N -1 3 315.304 3.637 50 0 DHAAHM c1ccc([N-]c2nonc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000098086441 563524049 /nfs/dbraw/zinc/52/40/49/563524049.db2.gz HKZGTOOSBZHFHG-UHFFFAOYSA-N -1 3 305.297 3.530 50 0 DHAAHM O=C([N-]c1ccon1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000000215021 563578536 /nfs/dbraw/zinc/57/85/36/563578536.db2.gz LFHOYNMZUNPCQZ-UHFFFAOYSA-N -1 3 324.336 3.588 50 0 DHAAHM CCc1noc(C)c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000000204466 563610533 /nfs/dbraw/zinc/61/05/33/563610533.db2.gz WFPDYQBPDBRWGD-UHFFFAOYSA-N -1 3 320.418 3.697 50 0 DHAAHM CSc1ccccc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000000426573 563612622 /nfs/dbraw/zinc/61/26/22/563612622.db2.gz HAUKOAAVBQSKED-UHFFFAOYSA-N -1 3 302.399 3.918 50 0 DHAAHM CCc1ccc(CNCc2c3ccccc3n(C)c2C(=O)[O-])cc1 ZINC000006899764 563708094 /nfs/dbraw/zinc/70/80/94/563708094.db2.gz RMPAMULSEXLGSY-UHFFFAOYSA-N -1 3 322.408 3.729 50 0 DHAAHM CC(=O)c1ccccc1NC(=O)c1cnc2ccc(F)cc2c1[O-] ZINC000012388912 563765949 /nfs/dbraw/zinc/76/59/49/563765949.db2.gz ODGFLPMHQHTNBD-UHFFFAOYSA-N -1 3 324.311 3.534 50 0 DHAAHM [O-]c1cc(Br)c(OC(F)F)c(Br)c1 ZINC000263622992 563794512 /nfs/dbraw/zinc/79/45/12/563794512.db2.gz CSDIUXWVIUQIKU-UHFFFAOYSA-N -1 3 317.911 3.519 50 0 DHAAHM CCO[N-]C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 ZINC000053720205 563866036 /nfs/dbraw/zinc/86/60/36/563866036.db2.gz MQTJYUVLPQBHSH-UHFFFAOYSA-N -1 3 320.392 3.820 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2cccc(O)c2)S1 ZINC000071285031 563909034 /nfs/dbraw/zinc/90/90/34/563909034.db2.gz UAARDSHNBVRMKH-CYBMUJFWSA-N -1 3 303.387 3.761 50 0 DHAAHM COc1ccc2cc(C(=O)Nc3ccccc3[O-])c(C)nc2c1 ZINC000095946781 563932181 /nfs/dbraw/zinc/93/21/81/563932181.db2.gz LCBXHVOLAONCHC-UHFFFAOYSA-N -1 3 308.337 3.510 50 0 DHAAHM Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c([O-])c1 ZINC000008304874 563947715 /nfs/dbraw/zinc/94/77/15/563947715.db2.gz FCXJAAQCJYGWPI-UHFFFAOYSA-N -1 3 309.724 3.511 50 0 DHAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2CCCC2)c1Cl ZINC000008447745 563948671 /nfs/dbraw/zinc/94/86/71/563948671.db2.gz QVGCFQHLHSVWJV-UHFFFAOYSA-N -1 3 322.257 3.831 50 0 DHAAHM O=C(CSc1nc2ccccc2[nH]1)c1cc(Cl)ccc1[O-] ZINC000038882710 563949390 /nfs/dbraw/zinc/94/93/90/563949390.db2.gz WLMSHQXPLIWJQX-UHFFFAOYSA-N -1 3 318.785 3.897 50 0 DHAAHM Cc1ncsc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000069528155 563953233 /nfs/dbraw/zinc/95/32/33/563953233.db2.gz IRPIEWWHSSJZOP-UHFFFAOYSA-N -1 3 322.459 3.678 50 0 DHAAHM Cc1cccc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)c1 ZINC000009432039 563955984 /nfs/dbraw/zinc/95/59/84/563955984.db2.gz TVLAVNJEMPBEDP-UHFFFAOYSA-N -1 3 311.410 3.948 50 0 DHAAHM Cc1ccc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)cc1 ZINC000009728658 563957544 /nfs/dbraw/zinc/95/75/44/563957544.db2.gz CJPLVPDTRYPWQA-UHFFFAOYSA-N -1 3 305.337 3.530 50 0 DHAAHM Cc1ccc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)cc1 ZINC000009728658 563957546 /nfs/dbraw/zinc/95/75/46/563957546.db2.gz CJPLVPDTRYPWQA-UHFFFAOYSA-N -1 3 305.337 3.530 50 0 DHAAHM C[C@H](NCc1nc(-c2ccccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000585090452 1029734596 /nfs/dbraw/zinc/73/45/96/1029734596.db2.gz OMTUDHWJLUTYFE-UWVGGRQHSA-N -1 3 324.833 3.662 50 0 DHAAHM O=C([O-])c1ccccc1[C@H]1CCN(CCCC(F)(F)F)C1 ZINC000072164614 191065895 /nfs/dbraw/zinc/06/58/95/191065895.db2.gz IHQWZYMGDOMOTE-NSHDSACASA-N -1 3 301.308 3.517 50 0 DHAAHM O=C1S/C(=C\c2cccc(F)c2)C(=O)N1c1ccc([O-])cc1 ZINC000002384619 180922002 /nfs/dbraw/zinc/92/20/02/180922002.db2.gz JVEKWIDAJRZRMY-ZROIWOOFSA-N -1 3 315.325 3.772 50 0 DHAAHM COc1ccc(C=Cc2nc(C)c(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000004786075 181152588 /nfs/dbraw/zinc/15/25/88/181152588.db2.gz NTGQLARGDOXHSX-JLHYYAGUSA-N -1 3 318.376 3.924 50 0 DHAAHM COc1cc(CN2CCCC[C@@H]2C)cc(Br)c1[O-] ZINC000004989161 181185741 /nfs/dbraw/zinc/18/57/41/181185741.db2.gz XRBUOMBEQIQTJW-JTQLQIEISA-N -1 3 314.223 3.538 50 0 DHAAHM S=c1[n-]nc(COc2cccc(Cl)c2)n1-c1ccccc1 ZINC000005927550 181297458 /nfs/dbraw/zinc/29/74/58/181297458.db2.gz CJOXCVZOGXIMGN-UHFFFAOYSA-N -1 3 317.801 3.788 50 0 DHAAHM Cc1cc2c([n-]c(=S)n(Cc3ccc(C)cc3)c2=O)s1 ZINC000017030862 182068818 /nfs/dbraw/zinc/06/88/18/182068818.db2.gz QMUYYEUZZBTGCQ-UHFFFAOYSA-N -1 3 302.424 3.786 50 0 DHAAHM Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccn2)[n-]n1 ZINC000021940791 182299533 /nfs/dbraw/zinc/29/95/33/182299533.db2.gz PAJZKZOTUDTJAO-UHFFFAOYSA-N -1 3 312.760 3.686 50 0 DHAAHM CCc1cccc2c(/C=C3/C(=O)[N-]C(=O)c4ccccc43)c[nH]c21 ZINC000040009553 183027656 /nfs/dbraw/zinc/02/76/56/183027656.db2.gz MEHPQLQACYTCHP-LICLKQGHSA-N -1 3 316.360 3.541 50 0 DHAAHM Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c([O-])c1 ZINC000040086582 183032093 /nfs/dbraw/zinc/03/20/93/183032093.db2.gz GTULWQUZOPITEE-UHFFFAOYSA-N -1 3 306.365 3.673 50 0 DHAAHM O=c1nc(CN2CCC[C@H]2C2CCCC2)[n-]c2ccsc21 ZINC000055927934 184001077 /nfs/dbraw/zinc/00/10/77/184001077.db2.gz HHSBSFNPEKTCLI-ZDUSSCGKSA-N -1 3 303.431 3.552 50 0 DHAAHM CCCOCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000058202461 184087480 /nfs/dbraw/zinc/08/74/80/184087480.db2.gz LIMAIULFGUSXEU-UHFFFAOYSA-N -1 3 318.373 3.717 50 0 DHAAHM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1cccc(F)c1 ZINC000002995948 563320567 /nfs/dbraw/zinc/32/05/67/563320567.db2.gz OGOYOBKABZYHQN-UHFFFAOYSA-N -1 3 305.177 3.774 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C ZINC000000470222 563260594 /nfs/dbraw/zinc/26/05/94/563260594.db2.gz JGGSPBYYYDTWKP-UHFFFAOYSA-N -1 3 319.426 3.928 50 0 DHAAHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccco1 ZINC000001256682 563280602 /nfs/dbraw/zinc/28/06/02/563280602.db2.gz UESZLVKLLGBHJG-UHFFFAOYSA-N -1 3 319.773 3.628 50 0 aggregator DHAAHM Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2[O-])c1 ZINC000002987995 563320053 /nfs/dbraw/zinc/32/00/53/563320053.db2.gz ANMJFFPKIIINCY-UHFFFAOYSA-N -1 3 313.397 3.633 50 0 DHAAHM O=C([N-]c1cc(F)ccc1F)c1cc(-c2cccs2)on1 ZINC000002802692 563342775 /nfs/dbraw/zinc/34/27/75/563342775.db2.gz OWDGZXKEOITORT-UHFFFAOYSA-N -1 3 306.293 3.934 50 0 DHAAHM CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c([O-])cc1OC ZINC000009350001 563353594 /nfs/dbraw/zinc/35/35/94/563353594.db2.gz CNLTZYFJODCGKV-UHFFFAOYSA-N -1 3 315.398 3.785 50 0 DHAAHM CSc1nccc(C=C([O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000012336373 563366349 /nfs/dbraw/zinc/36/63/49/563366349.db2.gz HNFCWKONSIUEOC-UHFFFAOYSA-N -1 3 313.209 3.931 50 0 DHAAHM CC(=O)n1cc([C@@H]2OC(=O)C(C)=C([O-])C2(C)C)c2ccccc21 ZINC000100754226 563450542 /nfs/dbraw/zinc/45/05/42/563450542.db2.gz CDLCKCRMKMNNOY-INIZCTEOSA-N -1 3 313.353 3.758 50 0 biogenic DHAAHM Cc1ccc(OCCN(C)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC000055153660 563471678 /nfs/dbraw/zinc/47/16/78/563471678.db2.gz UGASTASUHVVFRE-UHFFFAOYSA-N -1 3 313.397 3.512 50 0 DHAAHM CC(C)(C)c1ccc(C(=O)Oc2ccc3c([O-])coc3c2)cc1 ZINC000000145984 563573201 /nfs/dbraw/zinc/57/32/01/563573201.db2.gz TUGIRKFIQSBPEH-UHFFFAOYSA-N -1 3 310.349 3.778 50 0 DHAAHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cccs1 ZINC000011913750 563601483 /nfs/dbraw/zinc/60/14/83/563601483.db2.gz HBDXAVPHMZMXEK-UHFFFAOYSA-N -1 3 305.359 3.658 50 0 DHAAHM Cc1ccc(O[C@H](C)C(=O)[N-]c2onc3c2CCCC3)cc1C ZINC000011915002 563602373 /nfs/dbraw/zinc/60/23/73/563602373.db2.gz SVAUFSSUNKPUOZ-CYBMUJFWSA-N -1 3 314.385 3.576 50 0 DHAAHM CSc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000007745797 563717872 /nfs/dbraw/zinc/71/78/72/563717872.db2.gz VCYVSKHKOHMWRU-UHFFFAOYSA-N -1 3 307.440 3.826 50 0 DHAAHM O=C(Nc1ccc(Br)cc1[O-])c1ccoc1Cl ZINC000225496412 563757384 /nfs/dbraw/zinc/75/73/84/563757384.db2.gz OLNUURMTBKWYSH-UHFFFAOYSA-N -1 3 316.538 3.653 50 0 DHAAHM C[C@@H](Oc1ccccc1)C(=O)[N-]c1cc(-c2ccsc2)no1 ZINC000065153189 563900325 /nfs/dbraw/zinc/90/03/25/563900325.db2.gz GDFKARWNVLPULX-LLVKDONJSA-N -1 3 314.366 3.809 50 0 DHAAHM Cc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1[O-] ZINC000170613782 563908049 /nfs/dbraw/zinc/90/80/49/563908049.db2.gz OPCSJEZHYLCHAE-UHFFFAOYSA-N -1 3 308.337 3.972 50 0 DHAAHM Cc1c2ccc3ccccc3c2oc1C(=O)Nn1cn[n-]c1=S ZINC000014169453 563910513 /nfs/dbraw/zinc/91/05/13/563910513.db2.gz RAPBPTAWUBFISP-UHFFFAOYSA-N -1 3 324.365 3.532 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](C(C)C)S1 ZINC000096118039 563935535 /nfs/dbraw/zinc/93/55/35/563935535.db2.gz SEOCZJVLWDBOQT-DGCLKSJQSA-N -1 3 323.462 3.800 50 0 DHAAHM Cc1cccc(NC2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000263578621 563948274 /nfs/dbraw/zinc/94/82/74/563948274.db2.gz SVJXNMUELUPHID-UHFFFAOYSA-N -1 3 324.424 3.770 50 0 DHAAHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])ccc1OC(C)C ZINC000008762849 563950643 /nfs/dbraw/zinc/95/06/43/563950643.db2.gz GLWFMSUNTKBPBH-UHFFFAOYSA-N -1 3 315.369 3.749 50 0 DHAAHM COc1cccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)c1 ZINC000009322232 563955234 /nfs/dbraw/zinc/95/52/34/563955234.db2.gz PROIGGYYAJXZPG-UHFFFAOYSA-N -1 3 314.366 3.974 50 0 DHAAHM C[C@@H](NCc1nc(-c2ccccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000585090453 1029735199 /nfs/dbraw/zinc/73/51/99/1029735199.db2.gz OMTUDHWJLUTYFE-VHSXEESVSA-N -1 3 324.833 3.662 50 0 DHAAHM CC(C)Cn1cc(C(=O)Nc2ncccc2[O-])c2ccccc21 ZINC000069879870 190834417 /nfs/dbraw/zinc/83/44/17/190834417.db2.gz CWFKOZWGNXLLDU-UHFFFAOYSA-N -1 3 309.369 3.650 50 0 DHAAHM CCc1ccccc1NC(=O)c1cc(-c2ccccc2[O-])on1 ZINC000003908569 181056611 /nfs/dbraw/zinc/05/66/11/181056611.db2.gz PRNAEAAUWQALQH-UHFFFAOYSA-N -1 3 308.337 3.862 50 0 DHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000005135029 181208198 /nfs/dbraw/zinc/20/81/98/181208198.db2.gz NVMALHVVQSWGPG-UHFFFAOYSA-N -1 3 301.411 3.539 50 0 DHAAHM Cc1ccc(-c2cc([N-]C(=O)COc3ccccc3)on2)cc1 ZINC000005484240 181248576 /nfs/dbraw/zinc/24/85/76/181248576.db2.gz KFNFYYFNJQNCGI-UHFFFAOYSA-N -1 3 308.337 3.668 50 0 DHAAHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(Cl)cc1 ZINC000006316519 181329410 /nfs/dbraw/zinc/32/94/10/181329410.db2.gz QSYZWLBQQDLYRO-UHFFFAOYSA-N -1 3 320.172 3.933 50 0 DHAAHM CSc1ccccc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000016577818 182049904 /nfs/dbraw/zinc/04/99/04/182049904.db2.gz RIBLGYJALOTGNX-UHFFFAOYSA-N -1 3 307.440 3.659 50 0 DHAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000016807374 182061212 /nfs/dbraw/zinc/06/12/12/182061212.db2.gz ORRXLFZJXFPOJA-GHXNOFRVSA-N -1 3 305.742 3.924 50 0 DHAAHM COc1ccc2nc(C)cc(Nc3ccc(C(=O)[O-])c(O)c3)c2c1 ZINC000019702855 182137916 /nfs/dbraw/zinc/13/79/16/182137916.db2.gz BJUCJAUTDTVKRF-UHFFFAOYSA-N -1 3 324.336 3.699 50 0 biogenic DHAAHM O=C([N-]c1ccccc1F)c1noc2c1COc1ccccc1-2 ZINC000020484577 182223305 /nfs/dbraw/zinc/22/33/05/182223305.db2.gz WQRITDCRPFXEJA-UHFFFAOYSA-N -1 3 310.284 3.625 50 0 DHAAHM O=C(Nc1ccc(F)cc1)c1cnc2ccc(Cl)cc2c1[O-] ZINC000023118803 182348258 /nfs/dbraw/zinc/34/82/58/182348258.db2.gz UZVVRJXAYBZDLA-UHFFFAOYSA-N -1 3 316.719 3.573 50 0 DHAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC000032740979 182657896 /nfs/dbraw/zinc/65/78/96/182657896.db2.gz GIXIDLDBXJCAPM-UHFFFAOYSA-N -1 3 312.394 3.583 50 0 DHAAHM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc(F)cc1F ZINC000042090550 183232066 /nfs/dbraw/zinc/23/20/66/183232066.db2.gz GMTXKMSCPQLZDQ-UHFFFAOYSA-N -1 3 317.320 3.736 50 0 DHAAHM Cc1c([O-])ccc2c(CN[C@H](C)c3ccccc3)cc(=O)oc12 ZINC000058051738 184071791 /nfs/dbraw/zinc/07/17/91/184071791.db2.gz YOTAFTJHHXGLJD-CYBMUJFWSA-N -1 3 309.365 3.658 50 0 DHAAHM CC(C)c1csc2[n-]c([C@@H]3CSCCS3)nc(=O)c12 ZINC000079913460 563617483 /nfs/dbraw/zinc/61/74/83/563617483.db2.gz LZEKTAVILUBCNL-VIFPVBQESA-N -1 3 312.485 3.629 50 0 DHAAHM O=S(=O)(Cc1ccccc1)[N-]c1cc(Cl)ccc1Cl ZINC000000304071 563238467 /nfs/dbraw/zinc/23/84/67/563238467.db2.gz NNLUGEZFTNIXCB-UHFFFAOYSA-N -1 3 316.209 3.935 50 0 DHAAHM COc1ccc(CN2CCCC[C@H]2CCC(=O)[O-])cc1Cl ZINC000086755537 563469068 /nfs/dbraw/zinc/46/90/68/563469068.db2.gz KSIBCNRAEWXHEJ-ZDUSSCGKSA-N -1 3 311.809 3.568 50 0 DHAAHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000102648 563217679 /nfs/dbraw/zinc/21/76/79/563217679.db2.gz SOFDUICRCUMOJF-UHFFFAOYSA-N -1 3 302.182 3.794 50 0 DHAAHM O=S(=O)([N-]C1CCCCCC1)c1cc(Cl)ccc1Cl ZINC000000272755 563235207 /nfs/dbraw/zinc/23/52/07/563235207.db2.gz FTWWKEYDICEESR-UHFFFAOYSA-N -1 3 322.257 3.995 50 0 DHAAHM Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000000467089 563259564 /nfs/dbraw/zinc/25/95/64/563259564.db2.gz CRDVZTGNWDJWTO-UHFFFAOYSA-N -1 3 305.761 3.680 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C ZINC000000617930 563270731 /nfs/dbraw/zinc/27/07/31/563270731.db2.gz VLUWLDUHAKIPDY-UHFFFAOYSA-N -1 3 323.439 3.526 50 0 DHAAHM CC(C)c1cnc(CSc2n[n-]c(-c3cccs3)n2)o1 ZINC000071904402 563331721 /nfs/dbraw/zinc/33/17/21/563331721.db2.gz JIAWUTMLDUQKPO-UHFFFAOYSA-N -1 3 306.416 3.937 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000002771546 563341991 /nfs/dbraw/zinc/34/19/91/563341991.db2.gz ZQEUUCGMZMIDHH-UHFFFAOYSA-N -1 3 305.837 3.617 50 0 DHAAHM CCCCc1c([O-])cc(-c2ccncc2)n(-c2ccccc2)c1=O ZINC000013143690 563379552 /nfs/dbraw/zinc/37/95/52/563379552.db2.gz BTLLOXOXIKZPMZ-UHFFFAOYSA-N -1 3 320.392 3.948 50 0 DHAAHM Cc1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)n1 ZINC000013691633 563386178 /nfs/dbraw/zinc/38/61/78/563386178.db2.gz ZYQCHSDCSIFVRK-UHFFFAOYSA-N -1 3 313.744 3.550 50 0 DHAAHM Cc1cccc(NC(=O)c2cnc3c(Cl)cccc3c2[O-])n1 ZINC000013691633 563386181 /nfs/dbraw/zinc/38/61/81/563386181.db2.gz ZYQCHSDCSIFVRK-UHFFFAOYSA-N -1 3 313.744 3.550 50 0 DHAAHM CCc1nnc([N-]C(=O)c2csc(-c3ccsc3)n2)s1 ZINC000032768146 563391405 /nfs/dbraw/zinc/39/14/05/563391405.db2.gz JWUPHXLGIUTVRX-UHFFFAOYSA-N -1 3 322.440 3.538 50 0 DHAAHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc3c4c(cccc42)CC3)on1 ZINC000011037730 563433315 /nfs/dbraw/zinc/43/33/15/563433315.db2.gz HWVNWEJJKFGVEV-GFCCVEGCSA-N -1 3 321.380 3.674 50 0 DHAAHM CN(C)[C@H](C(=O)[O-])c1cccc2c1Sc1ccccc1S2 ZINC000055225964 563472582 /nfs/dbraw/zinc/47/25/82/563472582.db2.gz DTEOQYRVEJZXAY-AWEZNQCLSA-N -1 3 317.435 3.990 50 0 DHAAHM O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1[O-] ZINC000001415157 563821050 /nfs/dbraw/zinc/82/10/50/563821050.db2.gz VWDYLRQMEQBXAV-UHFFFAOYSA-N -1 3 310.378 3.697 50 0 DHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(C)s1 ZINC000032532007 563835391 /nfs/dbraw/zinc/83/53/91/563835391.db2.gz GDJWXXFRADXEEY-UHFFFAOYSA-N -1 3 321.345 3.583 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1cc2c(nc3sccn23)s1 ZINC000036626794 563901552 /nfs/dbraw/zinc/90/15/52/563901552.db2.gz FADMYTXTRQBCBL-UHFFFAOYSA-N -1 3 315.379 3.568 50 0 DHAAHM Cc1c([O-])ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002108983 563914134 /nfs/dbraw/zinc/91/41/34/563914134.db2.gz PUBFIXICANPISG-UHFFFAOYSA-N -1 3 320.300 3.580 50 0 biogenic DHAAHM COc1ccc2c(c1)[C@@H](NCc1ccc([O-])c(F)c1)CCCO2 ZINC000095422886 563931372 /nfs/dbraw/zinc/93/13/72/563931372.db2.gz QCSBOGZHVZDIJQ-INIZCTEOSA-N -1 3 317.360 3.543 50 0 DHAAHM O=c1c([O-])c(-c2ccccc2OC(F)F)oc2ccccc12 ZINC000096118955 563935524 /nfs/dbraw/zinc/93/55/24/563935524.db2.gz HCAPPWCGOGUETH-UHFFFAOYSA-N -1 3 304.248 3.767 50 0 DHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1cccc(Cl)c1 ZINC000071279939 563957999 /nfs/dbraw/zinc/95/79/99/563957999.db2.gz XPEAJEVUAHPEIE-NSHDSACASA-N -1 3 305.765 3.534 50 0 DHAAHM O=C([N-]c1nc(-c2ccc(Cl)s2)cs1)c1ccno1 ZINC000010253842 563958295 /nfs/dbraw/zinc/95/82/95/563958295.db2.gz GTTNRUSUSAXQQM-UHFFFAOYSA-N -1 3 311.775 3.765 50 0 DHAAHM [O-]c1ccc(F)cc1-c1ccnc2cc(-c3ccccc3)nn21 ZINC000021729247 563961583 /nfs/dbraw/zinc/96/15/83/563961583.db2.gz VBJBWJFCLZUMSI-UHFFFAOYSA-N -1 3 305.312 3.908 50 0 DHAAHM CCSc1ccccc1[N-]C(=O)c1scc2c1OCCO2 ZINC000823426743 1020421991 /nfs/dbraw/zinc/42/19/91/1020421991.db2.gz WEQNWSXXPAEQFE-UHFFFAOYSA-N -1 3 321.423 3.884 50 0 DHAAHM Cc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1[O-] ZINC000008388876 1024502534 /nfs/dbraw/zinc/50/25/34/1024502534.db2.gz DXUZBUFGZGLLRZ-UHFFFAOYSA-N -1 3 311.168 3.842 50 0 DHAAHM O=C([O-])c1ccccc1[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000072159102 191062463 /nfs/dbraw/zinc/06/24/63/191062463.db2.gz VFNULNZFKBVEAC-RCMYXZNBSA-N -1 3 307.393 3.888 50 0 DHAAHM O=C(Nc1ccccc1)c1cc(-c2cc(Cl)ccc2[O-])[nH]n1 ZINC000072238575 191081791 /nfs/dbraw/zinc/08/17/91/191081791.db2.gz LXFCQNOATFCDHS-UHFFFAOYSA-N -1 3 313.744 3.688 50 0 DHAAHM O=C(Nc1ccccc1)c1cc(-c2cc(Cl)ccc2[O-])n[nH]1 ZINC000072238575 191081793 /nfs/dbraw/zinc/08/17/93/191081793.db2.gz LXFCQNOATFCDHS-UHFFFAOYSA-N -1 3 313.744 3.688 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000004079102 181070679 /nfs/dbraw/zinc/07/06/79/181070679.db2.gz QTACACJDUVEMPZ-UHFFFAOYSA-N -1 3 317.798 3.695 50 0 DHAAHM CC(=O)Oc1ccc(/C=C/c2noc(-c3ccccc3[O-])n2)cc1 ZINC000004825789 181157843 /nfs/dbraw/zinc/15/78/43/181157843.db2.gz PWVKWZXUXBPYQQ-DHZHZOJOSA-N -1 3 322.320 3.538 50 0 DHAAHM O=c1c([O-])c(-c2ccc(Br)cc2)oc2ccccc12 ZINC000005548958 181256145 /nfs/dbraw/zinc/25/61/45/181256145.db2.gz GKEWBRFPQGHVQI-UHFFFAOYSA-N -1 3 317.138 3.928 50 0 DHAAHM Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccco3)[n-]2)c1 ZINC000005730436 181277765 /nfs/dbraw/zinc/27/77/65/181277765.db2.gz YDMIVFLMTNEZRD-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM Cc1ccc(C)c(C(=O)CSc2nc(-c3ccco3)n[n-]2)c1 ZINC000005730436 181277766 /nfs/dbraw/zinc/27/77/66/181277766.db2.gz YDMIVFLMTNEZRD-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM Cc1ccc(C)c(C(=O)CSc2n[n-]c(-c3ccco3)n2)c1 ZINC000005730436 181277768 /nfs/dbraw/zinc/27/77/68/181277768.db2.gz YDMIVFLMTNEZRD-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM Cc1cc(C(=O)[N-]c2nncs2)sc1-c1ccccc1 ZINC000016602679 182051832 /nfs/dbraw/zinc/05/18/32/182051832.db2.gz JWAPSDWSHJMSIF-UHFFFAOYSA-N -1 3 301.396 3.827 50 0 DHAAHM CCC[C@H](C)c1c(-c2ccccc2)ncn1CCCc1nnn[n-]1 ZINC000065460197 184348984 /nfs/dbraw/zinc/34/89/84/184348984.db2.gz QFZDSLQQQGLHGQ-AWEZNQCLSA-N -1 3 324.432 3.600 50 0 DHAAHM CCC[C@H](C)c1c(-c2ccccc2)ncn1CCCc1nn[n-]n1 ZINC000065460197 184348985 /nfs/dbraw/zinc/34/89/85/184348985.db2.gz QFZDSLQQQGLHGQ-AWEZNQCLSA-N -1 3 324.432 3.600 50 0 DHAAHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCCCC1 ZINC000065610018 184373258 /nfs/dbraw/zinc/37/32/58/184373258.db2.gz BKKFRQUJCKZIFI-UHFFFAOYSA-N -1 3 312.413 3.713 50 0 DHAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000000378899 563247751 /nfs/dbraw/zinc/24/77/51/563247751.db2.gz QBBUOJIPMSQENA-UHFFFAOYSA-N -1 3 322.238 3.533 50 0 DHAAHM [O-]c1cc(O)ccc1-c1csc2nc(-c3ccccc3)nn12 ZINC000000075350 563214064 /nfs/dbraw/zinc/21/40/64/563214064.db2.gz QSLAEURNDLKNBI-UHFFFAOYSA-N -1 3 309.350 3.536 50 0 DHAAHM O=C(Cc1ccc(Cl)cc1Cl)c1c(O)cc([O-])cc1O ZINC000002522115 563307960 /nfs/dbraw/zinc/30/79/60/563307960.db2.gz UWHPVOXQTNTGRM-UHFFFAOYSA-N -1 3 313.136 3.536 50 0 DHAAHM CCCCCCc1c(C)nc(N2C[C@H](C)C[C@@H](C)C2)[n-]c1=O ZINC000008020298 563343896 /nfs/dbraw/zinc/34/38/96/563343896.db2.gz UOFFHNRHOYVQKV-ZIAGYGMSSA-N -1 3 305.466 3.683 50 0 DHAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)c1C ZINC000008132541 563344780 /nfs/dbraw/zinc/34/47/80/563344780.db2.gz YGPUKSCAVPTPIY-UHFFFAOYSA-N -1 3 319.426 3.730 50 0 DHAAHM CC(C)(C)c1cc([N-]C(=O)c2ccc(Br)o2)no1 ZINC000012381617 563367871 /nfs/dbraw/zinc/36/78/71/563367871.db2.gz WOFXJHQYLOCUDT-UHFFFAOYSA-N -1 3 313.151 3.580 50 0 DHAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1ccon1 ZINC000013745754 563388586 /nfs/dbraw/zinc/38/85/86/563388586.db2.gz BSLTYMQYEOMEOR-UHFFFAOYSA-N -1 3 321.695 3.683 50 0 DHAAHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)OC(C)(C)C)N1 ZINC000013897423 563391361 /nfs/dbraw/zinc/39/13/61/563391361.db2.gz QWTUCVIXRRHBPM-CYBMUJFWSA-N -1 3 324.343 3.814 50 0 DHAAHM CCCCc1nnc([N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000021588987 563418135 /nfs/dbraw/zinc/41/81/35/563418135.db2.gz GBSHSBVWQXCVCN-UHFFFAOYSA-N -1 3 313.785 3.926 50 0 DHAAHM Cc1ccc(Cc2nnc([N-]C(=O)c3cccs3)s2)cc1 ZINC000000128417 563571656 /nfs/dbraw/zinc/57/16/56/563571656.db2.gz VJCCGAJNCDBWSI-UHFFFAOYSA-N -1 3 315.423 3.751 50 0 DHAAHM CCc1cc(C(=O)Cc2ccc(OC(C)C)cc2)c(O)cc1[O-] ZINC000000138835 563572645 /nfs/dbraw/zinc/57/26/45/563572645.db2.gz XWEBYUISRDUKOD-UHFFFAOYSA-N -1 3 314.381 3.873 50 0 biogenic DHAAHM Cc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000000365104 563590792 /nfs/dbraw/zinc/59/07/92/563590792.db2.gz LLTRMAKQEBASMT-LLVKDONJSA-N -1 3 305.761 3.760 50 0 DHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2[C@H]2CC=CCC2)C1 ZINC000102749706 563662066 /nfs/dbraw/zinc/66/20/66/563662066.db2.gz MWHXXHXFNHBNND-HZMBPMFUSA-N -1 3 314.389 3.925 50 0 DHAAHM CCc1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)nc(C)n1 ZINC000170640491 563914065 /nfs/dbraw/zinc/91/40/65/563914065.db2.gz PWLYICJKHDJWDE-UHFFFAOYSA-N -1 3 322.368 3.563 50 0 DHAAHM O=C1S/C(=C\c2cccs2)C(=O)N1c1ccc([O-])cc1 ZINC000002368067 563927325 /nfs/dbraw/zinc/92/73/25/563927325.db2.gz XHGSYSGXPTZEBG-WQLSENKSSA-N -1 3 303.364 3.695 50 0 DHAAHM CO[C@@H](C)c1cccc(NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000096415892 563936787 /nfs/dbraw/zinc/93/67/87/563936787.db2.gz KQRPNLHHGNAZMX-NSHDSACASA-N -1 3 318.348 3.560 50 0 DHAAHM CCOc1ccc(C(=O)c2cnc3ccc(CC)cc3c2[O-])cc1 ZINC000067340999 563949154 /nfs/dbraw/zinc/94/91/54/563949154.db2.gz JLCLVPRILNOMIQ-UHFFFAOYSA-N -1 3 321.376 3.720 50 0 DHAAHM Cc1ccc(C(=O)CSc2n[n-]c(-c3cccs3)n2)s1 ZINC000009451768 563955954 /nfs/dbraw/zinc/95/59/54/563955954.db2.gz ZHQNKUUCJSWFJT-UHFFFAOYSA-N -1 3 321.452 3.878 50 0 DHAAHM O=S(=O)(Cc1ccccc1Cl)[N-]c1cc(F)ccc1F ZINC000074983458 1017842665 /nfs/dbraw/zinc/84/26/65/1017842665.db2.gz IRXGWVNROLAKIE-UHFFFAOYSA-N -1 3 317.744 3.560 50 0 DHAAHM CCc1ccc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)nc1 ZINC000095391668 185351941 /nfs/dbraw/zinc/35/19/41/185351941.db2.gz JTCZJZZZUUKYGV-SFHVURJKSA-N -1 3 324.424 3.722 50 0 DHAAHM [O-]c1ccc(Br)c(CNCc2ccc(F)cc2)c1 ZINC000095428169 185362333 /nfs/dbraw/zinc/36/23/33/185362333.db2.gz QVQFUPJPFGOIOS-UHFFFAOYSA-N -1 3 310.166 3.584 50 0 DHAAHM COc1ccc(/C=C/c2noc(-c3ccccc3[O-])n2)cc1OC ZINC000004828022 181158080 /nfs/dbraw/zinc/15/80/80/181158080.db2.gz IDBNKLNCVZZZCQ-CSKARUKUSA-N -1 3 324.336 3.630 50 0 biogenic DHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000005126731 181206335 /nfs/dbraw/zinc/20/63/35/181206335.db2.gz LLKKXQFLYVMJBX-UHFFFAOYSA-N -1 3 311.353 3.889 50 0 DHAAHM CC(=O)[C@@H](C)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005729964 181277563 /nfs/dbraw/zinc/27/75/63/181277563.db2.gz PHMNRRVOPYEBQP-GFCCVEGCSA-N -1 3 324.332 3.522 50 0 biogenic DHAAHM S=c1[n-]nc(COc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000006534188 181351923 /nfs/dbraw/zinc/35/19/23/181351923.db2.gz HYALFSIQWMWCKR-UHFFFAOYSA-N -1 3 317.801 3.788 50 0 DHAAHM CCn1c2cc(C)ccc2c(CNCc2ccccc2)c1C(=O)[O-] ZINC000006795180 181390293 /nfs/dbraw/zinc/39/02/93/181390293.db2.gz PEOPQKIJXYNWFU-UHFFFAOYSA-N -1 3 322.408 3.958 50 0 DHAAHM CCSc1nnc([N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000015582452 182007522 /nfs/dbraw/zinc/00/75/22/182007522.db2.gz CBQBOMZYYKMOSN-UHFFFAOYSA-N -1 3 317.798 3.695 50 0 DHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Cl)c1 ZINC000016124951 182035017 /nfs/dbraw/zinc/03/50/17/182035017.db2.gz NCDNGLSHQHRHRG-UHFFFAOYSA-N -1 3 317.744 3.727 50 0 DHAAHM O=S(=O)([N-]C1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000016780116 182060668 /nfs/dbraw/zinc/06/06/68/182060668.db2.gz ZAPYIYIYGITAMY-UHFFFAOYSA-N -1 3 322.257 3.995 50 0 DHAAHM C[C@@H](C1CC1)n1[nH]cc2nc(-c3ccc([O-])cc3Cl)nc1-2 ZINC000020448847 182218724 /nfs/dbraw/zinc/21/87/24/182218724.db2.gz MSMNAPWAAPTDFY-QMMMGPOBSA-N -1 3 302.765 3.756 50 0 DHAAHM Cc1cc(Cl)ccc1OC(=O)c1cc2ccccc2c(=O)[n-]1 ZINC000032767377 182660706 /nfs/dbraw/zinc/66/07/06/182660706.db2.gz CURNWFKHLQQUQS-UHFFFAOYSA-N -1 3 313.740 3.709 50 0 DHAAHM [O-]c1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000100895247 193805467 /nfs/dbraw/zinc/80/54/67/193805467.db2.gz PNONEWLNUGNEDF-OAHLLOKOSA-N -1 3 324.771 3.693 50 0 DHAAHM O=C(Nc1cccnc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000060349381 184146695 /nfs/dbraw/zinc/14/66/95/184146695.db2.gz YLCUJGZSXVDJGL-UHFFFAOYSA-N -1 3 304.349 3.630 50 0 DHAAHM CN(Cc1cccs1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065616998 184374528 /nfs/dbraw/zinc/37/45/28/184374528.db2.gz FGGFAPMEBUTXQI-UHFFFAOYSA-N -1 3 301.411 3.605 50 0 DHAAHM Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000345930302 257237350 /nfs/dbraw/zinc/23/73/50/257237350.db2.gz PKBRCXOUSXINNK-UHFFFAOYSA-N -1 3 314.238 3.506 50 0 DHAAHM CC(C)c1cc(C(=O)N2CCC[C@@H](O)CC2)c([O-])c(C(C)C)c1 ZINC000295053018 334216138 /nfs/dbraw/zinc/21/61/38/334216138.db2.gz XYVBJXQTWLSBJN-OAHLLOKOSA-N -1 3 319.445 3.626 50 0 DHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1 ZINC000000192500 563229793 /nfs/dbraw/zinc/22/97/93/563229793.db2.gz FBKCHMDLFIWFMF-UHFFFAOYSA-N -1 3 305.399 3.583 50 0 DHAAHM O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000000519969 563264176 /nfs/dbraw/zinc/26/41/76/563264176.db2.gz VFTDDVBKZSBJSV-UHFFFAOYSA-N -1 3 307.802 3.918 50 0 DHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Br)o1 ZINC000000614242 563269457 /nfs/dbraw/zinc/26/94/57/563269457.db2.gz FYVSJWHCVLAXEV-UHFFFAOYSA-N -1 3 316.538 3.653 50 0 DHAAHM COc1ccc(SCC(=O)c2cc(C)c([O-])c(C)c2)cc1 ZINC000001400663 563282808 /nfs/dbraw/zinc/28/28/08/563282808.db2.gz UHXYXYLJZWQHGJ-UHFFFAOYSA-N -1 3 302.395 3.993 50 0 DHAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000002753204 563312514 /nfs/dbraw/zinc/31/25/14/563312514.db2.gz DZHUFIKCOPMDTE-UHFFFAOYSA-N -1 3 305.399 3.619 50 0 DHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1 ZINC000012535921 563370612 /nfs/dbraw/zinc/37/06/12/563370612.db2.gz ZJKSIXIBCIRMPZ-UHFFFAOYSA-N -1 3 313.781 3.897 50 0 DHAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000012805001 563374065 /nfs/dbraw/zinc/37/40/65/563374065.db2.gz CXRYZVCEKNSDGY-UHFFFAOYSA-N -1 3 323.314 3.992 50 0 DHAAHM CCOC(=O)c1sc(-c2cccc(C(F)(F)F)c2)nc1[O-] ZINC000013122595 563378025 /nfs/dbraw/zinc/37/80/25/563378025.db2.gz WRONBITZBMSSSZ-UHFFFAOYSA-N -1 3 317.288 3.711 50 0 DHAAHM CCCCc1c(COC)nc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000013468353 563382173 /nfs/dbraw/zinc/38/21/73/563382173.db2.gz OQPFUQVQSWUATL-UHFFFAOYSA-N -1 3 306.793 3.579 50 0 DHAAHM Cc1ccc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)cc1C ZINC000027664254 563429427 /nfs/dbraw/zinc/42/94/27/563429427.db2.gz PRJHDQKPSLQEOH-UHFFFAOYSA-N -1 3 322.364 3.976 50 0 DHAAHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000060553920 563479336 /nfs/dbraw/zinc/47/93/36/563479336.db2.gz OUWDNCZYKKEGQH-UHFFFAOYSA-N -1 3 317.345 3.862 50 0 DHAAHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000000178757 563575527 /nfs/dbraw/zinc/57/55/27/563575527.db2.gz GWROOHYHANHGSU-UHFFFAOYSA-N -1 3 319.386 3.582 50 0 DHAAHM [O-]c1cc(O)ccc1-c1n[nH]cc1-c1nc2ccccc2s1 ZINC000100633366 563597591 /nfs/dbraw/zinc/59/75/91/563597591.db2.gz KUEDPQPSINBLKI-UHFFFAOYSA-N -1 3 309.350 3.765 50 0 DHAAHM Cc1ccc(NC(=O)c2cc(C3CC3)nn2C(C)(C)C)c([O-])c1 ZINC000044982716 563687722 /nfs/dbraw/zinc/68/77/22/563687722.db2.gz WAVJSKWWQAEBFA-UHFFFAOYSA-N -1 3 313.401 3.782 50 0 DHAAHM Cc1ccccc1OCC(=O)[N-]c1cc(-c2ccsc2)no1 ZINC000065153310 563900317 /nfs/dbraw/zinc/90/03/17/563900317.db2.gz WYRMCTPRBMPKPT-UHFFFAOYSA-N -1 3 314.366 3.729 50 0 DHAAHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cc(Cl)ccc1Cl ZINC000170090717 563903694 /nfs/dbraw/zinc/90/36/94/563903694.db2.gz KCCFCFYPUMXURW-OAHLLOKOSA-N -1 3 324.207 3.779 50 0 DHAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(Cl)ccn2)s1 ZINC000036779290 563904372 /nfs/dbraw/zinc/90/43/72/563904372.db2.gz OXCDBFZLBSQSCV-UHFFFAOYSA-N -1 3 310.810 3.742 50 0 DHAAHM CC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000007213500 563904637 /nfs/dbraw/zinc/90/46/37/563904637.db2.gz RZSDTGWUGPGYOI-UHFFFAOYSA-N -1 3 322.257 3.850 50 0 DHAAHM CCc1cc(-c2n[nH]cc2-c2ccc(OC)cc2)c([O-])cc1O ZINC000013126326 563929369 /nfs/dbraw/zinc/92/93/69/563929369.db2.gz FZEBHPGETBDBRI-UHFFFAOYSA-N -1 3 310.353 3.726 50 0 biogenic DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1 ZINC000002627705 563939803 /nfs/dbraw/zinc/93/98/03/563939803.db2.gz OFGGHOTYCGVLET-UHFFFAOYSA-N -1 3 323.439 3.608 50 0 DHAAHM Cc1ccc(-c2nsc([N-]C(=O)c3cnc(C)s3)n2)s1 ZINC000066412720 563946441 /nfs/dbraw/zinc/94/64/41/563946441.db2.gz AFYZOTGGOIWYOH-UHFFFAOYSA-N -1 3 322.440 3.592 50 0 DHAAHM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000008215307 563947107 /nfs/dbraw/zinc/94/71/07/563947107.db2.gz KNQVALGGSWGZCU-NSHDSACASA-N -1 3 305.761 3.760 50 0 DHAAHM CN(CCC1CCCCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000069567421 563953533 /nfs/dbraw/zinc/95/35/33/563953533.db2.gz ABSAODSNEHJUFD-UHFFFAOYSA-N -1 3 312.413 3.571 50 0 DHAAHM Cc1ccc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)cc1C ZINC000009728682 563957447 /nfs/dbraw/zinc/95/74/47/563957447.db2.gz JQZYPJURYXUPKE-UHFFFAOYSA-N -1 3 319.364 3.838 50 0 DHAAHM Cc1ccc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)cc1C ZINC000009728682 563957449 /nfs/dbraw/zinc/95/74/49/563957449.db2.gz JQZYPJURYXUPKE-UHFFFAOYSA-N -1 3 319.364 3.838 50 0 DHAAHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H]1C1CCCCC1 ZINC000071823310 568419910 /nfs/dbraw/zinc/41/99/10/568419910.db2.gz RSBBAXXCBTUQQU-SFHVURJKSA-N -1 3 324.424 3.713 50 0 DHAAHM CC1=Nc2c(c(=O)[n-]n2C2CCOCC2)[C@H](CC(C)C)S1 ZINC000095475605 185373357 /nfs/dbraw/zinc/37/33/57/185373357.db2.gz WGEVVVWEPNHSJC-LBPRGKRZSA-N -1 3 309.435 3.824 50 0 DHAAHM Cc1cc(S(=O)(=O)[N-]C2CCCCC2)c(Cl)cc1Cl ZINC000144571823 186036115 /nfs/dbraw/zinc/03/61/15/186036115.db2.gz GYQQEBFNORLKTE-UHFFFAOYSA-N -1 3 322.257 3.913 50 0 DHAAHM O=C(NCCCc1ccccc1)c1c[n-]nc1-c1cccs1 ZINC000072329471 191124461 /nfs/dbraw/zinc/12/44/61/191124461.db2.gz KXVKGZLDDBNAHQ-UHFFFAOYSA-N -1 3 311.410 3.501 50 0 DHAAHM Cc1ccc(NC(=O)c2cc(-c3ccccc3[O-])on2)cc1C ZINC000003908577 181056373 /nfs/dbraw/zinc/05/63/73/181056373.db2.gz JRCPFWVNLMRUBJ-UHFFFAOYSA-N -1 3 308.337 3.916 50 0 DHAAHM CCc1ccc(NC(=O)c2cc(-c3ccccc3[O-])on2)cc1 ZINC000003908571 181056650 /nfs/dbraw/zinc/05/66/50/181056650.db2.gz ASFXSHPRGBXKQA-UHFFFAOYSA-N -1 3 308.337 3.862 50 0 DHAAHM Clc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000004488113 181114559 /nfs/dbraw/zinc/11/45/59/181114559.db2.gz MVAIXEVSPVFDBM-UHFFFAOYSA-N -1 3 302.790 3.812 50 0 DHAAHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000004674050 181134808 /nfs/dbraw/zinc/13/48/08/181134808.db2.gz RJQDXVFZBXXKEH-UHFFFAOYSA-N -1 3 307.390 3.751 50 0 DHAAHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)CCCC2 ZINC000005126490 181206614 /nfs/dbraw/zinc/20/66/14/181206614.db2.gz MWTONMNOWXZDAH-UHFFFAOYSA-N -1 3 305.374 3.505 50 0 DHAAHM [O-]c1cccc2ccc(/C=C/c3ccc4c(c3)OCCO4)nc12 ZINC000005127718 181207433 /nfs/dbraw/zinc/20/74/33/181207433.db2.gz QDYNVAGPFCEOKY-QPJJXVBHSA-N -1 3 305.333 3.882 50 0 DHAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C ZINC000006316257 181329001 /nfs/dbraw/zinc/32/90/01/181329001.db2.gz RCFKWLDDSCQDQC-UHFFFAOYSA-N -1 3 313.781 3.897 50 0 DHAAHM [O-]c1ccc(Cl)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000006550333 181353440 /nfs/dbraw/zinc/35/34/40/181353440.db2.gz VHTJLYHVTCRKLT-UHFFFAOYSA-N -1 3 324.565 3.746 50 0 DHAAHM O=S(=O)([N-]C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000016780100 182060469 /nfs/dbraw/zinc/06/04/69/182060469.db2.gz RCFPDFNJCVRGPX-UHFFFAOYSA-N -1 3 308.230 3.604 50 0 DHAAHM Cc1ccc2c(c1)-c1onc(C(=O)[N-]c3ccccc3F)c1CO2 ZINC000020509797 182226051 /nfs/dbraw/zinc/22/60/51/182226051.db2.gz LURJAXUBVOIMKY-UHFFFAOYSA-N -1 3 324.311 3.934 50 0 DHAAHM O=C(c1ccccc1[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000021915474 182297988 /nfs/dbraw/zinc/29/79/88/182297988.db2.gz AFQXVZAZDBDXGL-UHFFFAOYSA-N -1 3 322.364 3.553 50 0 DHAAHM O=C1COc2ccc(-c3csc(-c4ccccc4[O-])n3)cc2N1 ZINC000065514951 184358083 /nfs/dbraw/zinc/35/80/83/184358083.db2.gz VAMZTPDKACLDJF-UHFFFAOYSA-N -1 3 324.361 3.514 50 0 DHAAHM COc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c(Cl)c1 ZINC000065921463 184382731 /nfs/dbraw/zinc/38/27/31/184382731.db2.gz PALCMZKUHGSIDL-UHFFFAOYSA-N -1 3 317.732 3.584 50 0 DHAAHM COc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000065921463 184382733 /nfs/dbraw/zinc/38/27/33/184382733.db2.gz PALCMZKUHGSIDL-UHFFFAOYSA-N -1 3 317.732 3.584 50 0 DHAAHM CCC(CC)(CN[C@@H]1CCc2cc(F)c(F)c(F)c21)C(=O)[O-] ZINC000263072776 337624016 /nfs/dbraw/zinc/62/40/16/337624016.db2.gz PYRKVMUWCFQGJB-LLVKDONJSA-N -1 3 315.335 3.572 50 0 DHAAHM CC(C)(C)c1ccc(NC(=O)C(=S)[N-]Cc2ccco2)cc1 ZINC000000172932 563227591 /nfs/dbraw/zinc/22/75/91/563227591.db2.gz MJOWAUJZBILUMT-UHFFFAOYSA-N -1 3 316.426 3.633 50 0 DHAAHM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000000581998 563268447 /nfs/dbraw/zinc/26/84/47/563268447.db2.gz NFUCFNFDCGPJQQ-UHFFFAOYSA-N -1 3 307.440 3.826 50 0 DHAAHM O=C(Nc1ncccc1[O-])c1ccc(COc2ccccc2)cc1 ZINC000012796595 563374054 /nfs/dbraw/zinc/37/40/54/563374054.db2.gz HXQLKPIKUZLUTB-UHFFFAOYSA-N -1 3 320.348 3.619 50 0 DHAAHM COc1ccc(-c2n[nH]cc2Oc2cccc(OC)c2)c([O-])c1 ZINC000013127396 563378627 /nfs/dbraw/zinc/37/86/27/563378627.db2.gz SYMWRIYHMQTJMC-UHFFFAOYSA-N -1 3 312.325 3.592 50 0 DHAAHM Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccccc1[O-] ZINC000014198458 563397926 /nfs/dbraw/zinc/39/79/26/563397926.db2.gz YPWQTGNXDSUVOV-UHFFFAOYSA-N -1 3 305.761 3.680 50 0 DHAAHM O=C(Nc1ccccc1[O-])c1ccc(OCc2ccncc2)cc1 ZINC000027583939 563428567 /nfs/dbraw/zinc/42/85/67/563428567.db2.gz OCNVCGRGFUEGPI-UHFFFAOYSA-N -1 3 320.348 3.619 50 0 DHAAHM CCN(C/C=C/c1ccccc1)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000055225536 563472635 /nfs/dbraw/zinc/47/26/35/563472635.db2.gz OYPBMZKVMMZZER-RMKNXTFCSA-N -1 3 311.381 3.626 50 0 DHAAHM O=C([N-]c1ccnc(Cl)c1F)c1c(F)cccc1Cl ZINC000096029302 563531264 /nfs/dbraw/zinc/53/12/64/563531264.db2.gz DDSXRUDLQQTJDK-UHFFFAOYSA-N -1 3 303.095 3.919 50 0 DHAAHM CCCOc1ccccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000097099600 563537900 /nfs/dbraw/zinc/53/79/00/563537900.db2.gz RAIOKVBGHFRWJH-UHFFFAOYSA-N -1 3 305.418 3.552 50 0 DHAAHM COC(=O)C(=Cc1ccc(C)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000011906975 563601204 /nfs/dbraw/zinc/60/12/04/563601204.db2.gz PYFIRPHLRRRSKC-WJDWOHSUSA-N -1 3 319.360 3.550 50 0 DHAAHM Nc1nc(-c2ccccc2)c2c(-c3ccccc3)nc(=S)[n-]n12 ZINC000253495668 563614102 /nfs/dbraw/zinc/61/41/02/563614102.db2.gz NALWAISVBPJJHU-UHFFFAOYSA-N -1 3 319.393 3.703 50 0 DHAAHM O=C1CCCC2=Nc3nonc3[N-][C@H](c3ccc(F)cc3F)C12 ZINC000102743712 563661861 /nfs/dbraw/zinc/66/18/61/563661861.db2.gz BHMQUYOYGAKDPO-CYBMUJFWSA-N -1 3 318.283 3.583 50 0 DHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccccc2)C1 ZINC000102740921 563661935 /nfs/dbraw/zinc/66/19/35/563661935.db2.gz QKRDDCPLNCZFCN-AWEZNQCLSA-N -1 3 310.357 3.941 50 0 DHAAHM COc1ccc(OC)c(NC(=O)Sc2ccc([O-])cc2)c1 ZINC000000397859 563846193 /nfs/dbraw/zinc/84/61/93/563846193.db2.gz VZDYYUOWEDENIP-UHFFFAOYSA-N -1 3 305.355 3.734 50 0 DHAAHM O=C([N-]c1cccc2nsnc21)c1cc(-c2ccccc2)on1 ZINC000035672765 563873880 /nfs/dbraw/zinc/87/38/80/563873880.db2.gz SSGMUKAPWCPZJB-UHFFFAOYSA-N -1 3 322.349 3.599 50 0 DHAAHM Cc1cc2[nH]c(CNCc3ccc(C(=O)[O-])cc3)cc2c(C)c1 ZINC000170090886 563903683 /nfs/dbraw/zinc/90/36/83/563903683.db2.gz HWLNPNCPQRVWPM-UHFFFAOYSA-N -1 3 308.381 3.773 50 0 DHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C ZINC000252497652 563916232 /nfs/dbraw/zinc/91/62/32/563916232.db2.gz QMBSJIINIUWBFL-UHFFFAOYSA-N -1 3 311.353 3.691 50 0 DHAAHM CC(C)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301216691 563918858 /nfs/dbraw/zinc/91/88/58/563918858.db2.gz YQWYBHKOCDDYOC-NSHDSACASA-N -1 3 314.414 3.658 50 0 DHAAHM O=C1N2c3c(cccc3Sc3ccccc32)[C@]1([O-])C(F)(F)F ZINC000002349752 563926305 /nfs/dbraw/zinc/92/63/05/563926305.db2.gz VXAPLOXEECSETK-CQSZACIVSA-N -1 3 323.295 3.579 50 0 DHAAHM O=c1nc(Cc2ccc(O)cc2)[n-]c2scc(-c3ccco3)c21 ZINC000055503538 563938248 /nfs/dbraw/zinc/93/82/48/563938248.db2.gz ZYCROQRHQBKNOK-UHFFFAOYSA-N -1 3 324.361 3.541 50 0 DHAAHM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c([O-])c1 ZINC000002635859 563939851 /nfs/dbraw/zinc/93/98/51/563939851.db2.gz YTQNWCQRSGMKAA-UHFFFAOYSA-N -1 3 305.761 3.680 50 0 DHAAHM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(O)cc1[O-] ZINC000009109345 563952327 /nfs/dbraw/zinc/95/23/27/563952327.db2.gz ZWOVXUCOBBPTGB-UHFFFAOYSA-N -1 3 312.325 3.597 50 0 DHAAHM Cc1ccc([C@H](C)NCc2cc([O-])ccc2Br)o1 ZINC000095428171 185362271 /nfs/dbraw/zinc/36/22/71/185362271.db2.gz DYHMSEFFGOWKJL-JTQLQIEISA-N -1 3 310.191 3.907 50 0 DHAAHM O=C1CCCc2nn(-c3ccccc3)c(-c3ccccc3[O-])c21 ZINC000000202358 180724143 /nfs/dbraw/zinc/72/41/43/180724143.db2.gz SDPHUFNYQYHFJB-UHFFFAOYSA-N -1 3 304.349 3.764 50 0 DHAAHM COc1ccc(C(=O)c2c(C)oc3ccc([O-])cc32)cc1OC ZINC000000444873 180792922 /nfs/dbraw/zinc/79/29/22/180792922.db2.gz OAJCLFIHNMTIEH-UHFFFAOYSA-N -1 3 312.321 3.695 50 0 biogenic DHAAHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2)n1 ZINC000003340020 181008694 /nfs/dbraw/zinc/00/86/94/181008694.db2.gz YOICDDKFGUJUDA-UHFFFAOYSA-N -1 3 321.380 3.755 50 0 DHAAHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3[O-])on2)c1 ZINC000003908593 181056586 /nfs/dbraw/zinc/05/65/86/181056586.db2.gz JLVJXKPDWIWRQT-UHFFFAOYSA-N -1 3 322.320 3.502 50 0 DHAAHM Cc1cc(C(=O)CCC(=O)Nc2ccc(C)cc2[O-])c(C)s1 ZINC000005066011 181199808 /nfs/dbraw/zinc/19/98/08/181199808.db2.gz MHQMPTGAWKIDQG-UHFFFAOYSA-N -1 3 317.410 3.981 50 0 DHAAHM C[C@H]1CCc2c(sc3[n-]c(-c4cccs4)nc(=O)c23)C1 ZINC000005093168 181203020 /nfs/dbraw/zinc/20/30/20/181203020.db2.gz NFUCLQCLNTZORC-QMMMGPOBSA-N -1 3 302.424 3.838 50 0 DHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000005579095 181259563 /nfs/dbraw/zinc/25/95/63/181259563.db2.gz XPWTVFAVHOTZIJ-UHFFFAOYSA-N -1 3 305.399 3.503 50 0 DHAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)c1ccc(Cl)cc1 ZINC000005731210 181277781 /nfs/dbraw/zinc/27/77/81/181277781.db2.gz SYUJGOWWFRBILM-UHFFFAOYSA-N -1 3 319.773 3.693 50 0 DHAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1 ZINC000005731210 181277782 /nfs/dbraw/zinc/27/77/82/181277782.db2.gz SYUJGOWWFRBILM-UHFFFAOYSA-N -1 3 319.773 3.693 50 0 DHAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)cc1 ZINC000005731210 181277785 /nfs/dbraw/zinc/27/77/85/181277785.db2.gz SYUJGOWWFRBILM-UHFFFAOYSA-N -1 3 319.773 3.693 50 0 DHAAHM Cc1nonc1[N-]C(=O)c1oc2cc(C)c(Cl)cc2c1C ZINC000006811516 181393811 /nfs/dbraw/zinc/39/38/11/181393811.db2.gz VWOSFISLPDWSMX-UHFFFAOYSA-N -1 3 305.721 3.647 50 0 DHAAHM CCOc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1OCC ZINC000015923004 182024294 /nfs/dbraw/zinc/02/42/94/182024294.db2.gz AFCCEUJJGBSFFV-UHFFFAOYSA-N -1 3 315.369 3.750 50 0 DHAAHM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc(F)c(F)c1 ZINC000016579100 182050089 /nfs/dbraw/zinc/05/00/89/182050089.db2.gz MILBWLMEKADXBP-UHFFFAOYSA-N -1 3 317.744 3.560 50 0 DHAAHM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000019943679 182168522 /nfs/dbraw/zinc/16/85/22/182168522.db2.gz LQFRYFGDKCUCRL-UHFFFAOYSA-N -1 3 319.426 3.675 50 0 DHAAHM O=c1[n-]c(-c2ccc(F)cc2)nc2nc(-c3ccccc3)oc21 ZINC000053993888 183918991 /nfs/dbraw/zinc/91/89/91/183918991.db2.gz UQFTYYJDWMVNGE-UHFFFAOYSA-N -1 3 307.284 3.797 50 0 DHAAHM CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCc1nnn[n-]1 ZINC000065460196 184348890 /nfs/dbraw/zinc/34/88/90/184348890.db2.gz QFZDSLQQQGLHGQ-CQSZACIVSA-N -1 3 324.432 3.600 50 0 DHAAHM CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCCc1nn[n-]n1 ZINC000065460196 184348891 /nfs/dbraw/zinc/34/88/91/184348891.db2.gz QFZDSLQQQGLHGQ-CQSZACIVSA-N -1 3 324.432 3.600 50 0 DHAAHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1[O-] ZINC000331922376 336152898 /nfs/dbraw/zinc/15/28/98/336152898.db2.gz LSNREPSJCKGGGS-SFHVURJKSA-N -1 3 323.392 3.881 50 0 DHAAHM O=C(c1ccc(O)cc1[O-])N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000333912860 336212271 /nfs/dbraw/zinc/21/22/71/336212271.db2.gz FPINCHAFMZOYAP-KRWDZBQOSA-N -1 3 323.392 3.508 50 0 DHAAHM Cc1nc(C)c(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000076864057 341215021 /nfs/dbraw/zinc/21/50/21/341215021.db2.gz CJSGSZVZGBINQY-UHFFFAOYSA-N -1 3 317.439 3.604 50 0 DHAAHM O=S(=O)([N-]CCC1=CCCCC1)c1ccc(Cl)s1 ZINC000002602243 563310626 /nfs/dbraw/zinc/31/06/26/563310626.db2.gz BVJHFBFELFBKCB-UHFFFAOYSA-N -1 3 305.852 3.570 50 0 DHAAHM O=S(=O)([N-]C1CCCCCCC1)c1ccc(Cl)s1 ZINC000000469881 563260130 /nfs/dbraw/zinc/26/01/30/563260130.db2.gz CLSQPWROJCGFKF-UHFFFAOYSA-N -1 3 307.868 3.793 50 0 DHAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2ccccc2)on1 ZINC000000815016 563272638 /nfs/dbraw/zinc/27/26/38/563272638.db2.gz MSTRTPJXEUOWLB-UHFFFAOYSA-N -1 3 314.728 3.953 50 0 DHAAHM CCc1ccc(OCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000002561703 563309054 /nfs/dbraw/zinc/30/90/54/563309054.db2.gz KLWGEKRWUDDCEX-UHFFFAOYSA-N -1 3 311.410 3.697 50 0 DHAAHM O=C1c2cccc3c([O-])ccc(c32)C(=O)N1c1ccc(Cl)cc1 ZINC000005731263 563330141 /nfs/dbraw/zinc/33/01/41/563330141.db2.gz AJLGIQNNYJFJPV-UHFFFAOYSA-N -1 3 323.735 3.999 50 0 DHAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C ZINC000008132576 563344538 /nfs/dbraw/zinc/34/45/38/563344538.db2.gz NAMOKEHFJYRWCO-UHFFFAOYSA-N -1 3 319.426 3.730 50 0 DHAAHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(Cl)s1 ZINC000013746650 563388853 /nfs/dbraw/zinc/38/88/53/563388853.db2.gz BTSGLMUFOALIDS-UHFFFAOYSA-N -1 3 313.713 3.524 50 0 DHAAHM Cn1ccnc1[C@H]([N-]c1nc2ccccc2o1)c1ccccc1 ZINC000029400997 563434706 /nfs/dbraw/zinc/43/47/06/563434706.db2.gz XUAMPSATJZVCMR-MRXNPFEDSA-N -1 3 304.353 3.763 50 0 DHAAHM O=c1c([O-])c(-c2ccc3c(c2)OCO3)oc2cc(Cl)ccc12 ZINC000002875347 563449682 /nfs/dbraw/zinc/44/96/82/563449682.db2.gz LDLAGUZYZKJQAA-UHFFFAOYSA-N -1 3 316.696 3.548 50 0 DHAAHM CCCCc1cc([N-]C(=O)COc2cc(C)ccc2C)on1 ZINC000072311493 563451942 /nfs/dbraw/zinc/45/19/42/563451942.db2.gz WFBHNQJHISQZAE-UHFFFAOYSA-N -1 3 302.374 3.652 50 0 DHAAHM Cc1nc([N-]C(=O)c2snnc2-c2ccccc2)sc1C ZINC000036366408 563454702 /nfs/dbraw/zinc/45/47/02/563454702.db2.gz WWQIGJNRIMCSED-UHFFFAOYSA-N -1 3 316.411 3.531 50 0 DHAAHM CN(C)CCN(Cc1ccsc1)Cc1ccc([O-])c(Cl)c1 ZINC000055254092 563472828 /nfs/dbraw/zinc/47/28/28/563472828.db2.gz CNOMGRYDFHCPMT-UHFFFAOYSA-N -1 3 324.877 3.671 50 0 DHAAHM Cc1ccc(C(C)(C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000067982936 563494698 /nfs/dbraw/zinc/49/46/98/563494698.db2.gz NJLOMSIPFJOHNH-UHFFFAOYSA-N -1 3 320.392 3.502 50 0 DHAAHM O=C([N-]c1cc(F)ccc1F)c1cc(-c2ccccc2)no1 ZINC000033147307 563497712 /nfs/dbraw/zinc/49/77/12/563497712.db2.gz JVHWVBMVVDEUFC-UHFFFAOYSA-N -1 3 300.264 3.872 50 0 DHAAHM O=C([N-]c1cc(F)cc(F)c1)c1cc(-c2ccccc2)no1 ZINC000033162672 563498597 /nfs/dbraw/zinc/49/85/97/563498597.db2.gz NLJOVHUZSUXTFJ-UHFFFAOYSA-N -1 3 300.264 3.872 50 0 DHAAHM Cc1cccc(O[C@@H](C)C(=O)[N-]c2onc3c2CCCC3)c1C ZINC000011914760 563601950 /nfs/dbraw/zinc/60/19/50/563601950.db2.gz MWVSRLJIJLKXDX-ZDUSSCGKSA-N -1 3 314.385 3.576 50 0 DHAAHM Cc1cc(C)cc(O[C@@H](C)C(=O)[N-]c2onc3c2CCCC3)c1 ZINC000011915001 563602367 /nfs/dbraw/zinc/60/23/67/563602367.db2.gz HLEOREXGSYMSKU-ZDUSSCGKSA-N -1 3 314.385 3.576 50 0 DHAAHM O=C(c1ccc(O)cc1[O-])N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000127989172 563605076 /nfs/dbraw/zinc/60/50/76/563605076.db2.gz NJDISOVXOLCZHS-YWZLYKJASA-N -1 3 323.392 3.639 50 0 DHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2[C@@H]2CC=CCC2)C1 ZINC000102749712 563662033 /nfs/dbraw/zinc/66/20/33/563662033.db2.gz MWHXXHXFNHBNND-QMTHXVAHSA-N -1 3 314.389 3.925 50 0 DHAAHM Cc1cc(C(=O)[N-]c2nc3c(ccc(Cl)c3C)s2)on1 ZINC000012422436 563774494 /nfs/dbraw/zinc/77/44/94/563774494.db2.gz QHHFWBPLHQCBLI-UHFFFAOYSA-N -1 3 307.762 3.807 50 0 DHAAHM O=C(Nc1ncccc1[O-])c1ccc(SC(F)(F)F)cc1 ZINC000012522479 563797388 /nfs/dbraw/zinc/79/73/88/563797388.db2.gz ZHIUOYAOMYNRRF-UHFFFAOYSA-N -1 3 314.288 3.651 50 0 DHAAHM CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC000012735541 563816728 /nfs/dbraw/zinc/81/67/28/563816728.db2.gz ZCJLZDDVGSRONY-UHFFFAOYSA-N -1 3 318.760 3.565 50 0 DHAAHM CC(C)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000036647496 563902220 /nfs/dbraw/zinc/90/22/20/563902220.db2.gz SMYMOLPKOOSDIO-UHFFFAOYSA-N -1 3 313.426 3.808 50 0 DHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000007405593 563906165 /nfs/dbraw/zinc/90/61/65/563906165.db2.gz HRBUBPMTJWHEFW-UHFFFAOYSA-N -1 3 313.781 3.897 50 0 DHAAHM COc1cccc2c1CC[C@H]2[N-]c1nc(-c2ccccc2)no1 ZINC000675295442 563912351 /nfs/dbraw/zinc/91/23/51/563912351.db2.gz NKTPFSLCTUAEOX-OAHLLOKOSA-N -1 3 307.353 3.845 50 0 DHAAHM C[C@H](Cc1cccs1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000095971284 563933455 /nfs/dbraw/zinc/93/34/55/563933455.db2.gz VVXMIHUYOJACPI-LLVKDONJSA-N -1 3 323.845 3.739 50 0 DHAAHM Cc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c([O-])c1 ZINC000008242100 563947372 /nfs/dbraw/zinc/94/73/72/563947372.db2.gz HKGKYYAZRFJUDH-UHFFFAOYSA-N -1 3 311.381 3.919 50 0 DHAAHM c1csc(-c2nc(SCc3ccc4c(c3)OCO4)n[n-]2)c1 ZINC000008705634 563950012 /nfs/dbraw/zinc/95/00/12/563950012.db2.gz IKOAKTHWCGBKEM-UHFFFAOYSA-N -1 3 317.395 3.554 50 0 DHAAHM CCCc1nnc([N-]C(=O)c2oc3c(cccc3F)c2C)s1 ZINC000009376389 563955668 /nfs/dbraw/zinc/95/56/68/563955668.db2.gz IIBMAEZKDSVMQX-UHFFFAOYSA-N -1 3 319.361 3.937 50 0 DHAAHM Cc1ccc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)c(C)c1 ZINC000009728664 563957572 /nfs/dbraw/zinc/95/75/72/563957572.db2.gz WMAKNUYMDACFJB-UHFFFAOYSA-N -1 3 319.364 3.838 50 0 DHAAHM Cc1ccc(NC(=O)c2n[n-]c3c2COc2ccccc2-3)c(C)c1 ZINC000009728664 563957573 /nfs/dbraw/zinc/95/75/73/563957573.db2.gz WMAKNUYMDACFJB-UHFFFAOYSA-N -1 3 319.364 3.838 50 0 DHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)c1C ZINC000000528973 1036852646 /nfs/dbraw/zinc/85/26/46/1036852646.db2.gz GJUCAVHSIPEIGQ-UHFFFAOYSA-N -1 3 323.389 3.642 50 0 DHAAHM CCc1ccc(-c2nc3oc(-c4ccccc4)nc3c(=O)[n-]2)cc1 ZINC000170623646 197793907 /nfs/dbraw/zinc/79/39/07/197793907.db2.gz PDVOVISFXZSUGM-UHFFFAOYSA-N -1 3 317.348 3.808 50 0 DHAAHM O=C(NCc1ccccc1Cl)c1c[n-]nc1-c1cccs1 ZINC000072329454 191123965 /nfs/dbraw/zinc/12/39/65/191123965.db2.gz GXXJDYRCMCNXFD-UHFFFAOYSA-N -1 3 317.801 3.722 50 0 DHAAHM O=C(CCCOc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000004696104 181138353 /nfs/dbraw/zinc/13/83/53/181138353.db2.gz GFUBADKQRQQRDT-UHFFFAOYSA-N -1 3 305.761 3.843 50 0 DHAAHM CCc1ccc(OCC(=O)[N-]c2cc(-c3ccccc3)no2)cc1 ZINC000005451839 181244564 /nfs/dbraw/zinc/24/45/64/181244564.db2.gz RBPRKMLIBQQIPO-UHFFFAOYSA-N -1 3 322.364 3.922 50 0 DHAAHM COC(=O)c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1 ZINC000005586282 181260538 /nfs/dbraw/zinc/26/05/38/181260538.db2.gz JXQJXEDDXSLREJ-YRNVUSSQSA-N -1 3 305.333 3.897 50 0 DHAAHM Cc1ccc(-n2c(COc3cccc(C)c3)n[n-]c2=S)cc1 ZINC000005687768 181273183 /nfs/dbraw/zinc/27/31/83/181273183.db2.gz CZXQLCORKIRNNC-UHFFFAOYSA-N -1 3 311.410 3.752 50 0 DHAAHM CCc1cccc2c(/C=C3\C(=O)[N-]C(=O)c4ccccc43)c[nH]c21 ZINC000015662002 182010444 /nfs/dbraw/zinc/01/04/44/182010444.db2.gz MEHPQLQACYTCHP-YVLHZVERSA-N -1 3 316.360 3.541 50 0 DHAAHM CC(C)c1ccc(NC(=O)c2cc(-c3ccccn3)[n-]n2)cc1 ZINC000015785565 182017337 /nfs/dbraw/zinc/01/73/37/182017337.db2.gz XTDQXFBXVVMWRI-UHFFFAOYSA-N -1 3 306.369 3.847 50 0 DHAAHM Cc1ccc(C(=O)Nc2cccc(Br)c2)c([O-])c1 ZINC000019807271 182152471 /nfs/dbraw/zinc/15/24/71/182152471.db2.gz BOIXLICNNJHNOT-UHFFFAOYSA-N -1 3 306.159 3.715 50 0 DHAAHM O=S(=O)([N-]CC1CCCCC1)c1ccccc1C(F)(F)F ZINC000023075122 182346255 /nfs/dbraw/zinc/34/62/55/182346255.db2.gz GUPHXRIYDNYNBD-UHFFFAOYSA-N -1 3 321.364 3.564 50 0 DHAAHM O=C(/C=C\c1nc2ccccc2s1)[N-]OCc1ccccc1 ZINC000056696541 184017953 /nfs/dbraw/zinc/01/79/53/184017953.db2.gz HDAMJDKSVMBXQK-KHPPLWFESA-N -1 3 310.378 3.558 50 0 DHAAHM O=C(NCC1CCCCCCC1)c1c[n-]c2ccccc2c1=O ZINC000065801631 184379987 /nfs/dbraw/zinc/37/99/87/184379987.db2.gz WFZMPAHAGLZIQN-UHFFFAOYSA-N -1 3 312.413 3.618 50 0 DHAAHM CC(C)(C)c1nc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000299742965 526865176 /nfs/dbraw/zinc/86/51/76/526865176.db2.gz LCCAVZKYAWGLIQ-BNOWGMLFSA-N -1 3 322.474 3.658 50 0 DHAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000000246290 563233591 /nfs/dbraw/zinc/23/35/91/563233591.db2.gz CSTYDWJZXIKUDB-UHFFFAOYSA-N -1 3 320.172 3.933 50 0 DHAAHM Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC000000470268 563260676 /nfs/dbraw/zinc/26/06/76/563260676.db2.gz WATLNFAAWAUWSF-UHFFFAOYSA-N -1 3 305.761 3.680 50 0 DHAAHM Cc1ccc(C(=O)CSc2nnc(-c3ccco3)[n-]2)c(C)c1 ZINC000002501168 563304524 /nfs/dbraw/zinc/30/45/24/563304524.db2.gz NXYVDMIMOBWIPF-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM Cc1ccc(C(=O)CSc2nc(-c3ccco3)n[n-]2)c(C)c1 ZINC000002501168 563304529 /nfs/dbraw/zinc/30/45/29/563304529.db2.gz NXYVDMIMOBWIPF-UHFFFAOYSA-N -1 3 313.382 3.657 50 0 DHAAHM 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