smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1Nc1nc2ccsc2c(N(C)c2ccccc2)n1 ZINC000000004791 208549147 /nfs/dbraw/zinc/54/91/47/208549147.db2.gz HTFDXILAZBGPEJ-UHFFFAOYSA-N 0 0 346.459 5.511 1 0 EKAFRN Clc1ccc2c(c1)N1CC[C@H](n3ccnc3)c3cccc(c31)S2 ZINC000000009033 526965708 /nfs/dbraw/zinc/96/57/08/526965708.db2.gz LQFFHHZDIOQTCC-AWEZNQCLSA-N 0 0 339.851 5.132 1 0 EKAFRN CCCC(=O)c1cnc2c(F)cccc2c1Nc1ccc(O)cc1C ZINC000000010922 201423280 /nfs/dbraw/zinc/42/32/80/201423280.db2.gz YPIQODXWCFFJGR-UHFFFAOYSA-N 0 0 338.382 5.114 1 0 EKAFRN Cc1ccccc1Nc1nc2sccc2c(N(C)c2ccccc2)n1 ZINC000000013384 208549328 /nfs/dbraw/zinc/54/93/28/208549328.db2.gz MENMZNJMMPLZBJ-UHFFFAOYSA-N 0 0 346.459 5.511 1 0 EKAFRN COc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 ZINC000000022119 208550623 /nfs/dbraw/zinc/55/06/23/208550623.db2.gz AKIUDQXGSMSBFM-UHFFFAOYSA-N 0 0 326.399 5.419 1 0 EKAFRN OCc1c(Cl)c(Cl)c(-c2ccc(O)cc2)c(Cl)c1Cl ZINC000000022579 208551089 /nfs/dbraw/zinc/55/10/89/208551089.db2.gz KGRYFAGKEOPAAA-UHFFFAOYSA-N 0 0 338.017 5.165 1 0 EKAFRN CC(C)(C)c1cc(-c2cn3ccsc3n2)cc2c1OCC2(C)C ZINC000000022609 208551141 /nfs/dbraw/zinc/55/11/41/208551141.db2.gz XRSLWJGSCSCHSS-UHFFFAOYSA-N 0 0 326.465 5.030 1 0 EKAFRN Cc1ccc(-c2nc3ccccc3c(NCc3cccs3)n2)cc1 ZINC000000109528 209426469 /nfs/dbraw/zinc/42/64/69/209426469.db2.gz LZKBUFFWOFLEAK-UHFFFAOYSA-N 0 0 331.444 5.279 1 0 EKAFRN CC1(C)C=Cc2c(c3occc3c3oc(-c4ccccc4)cc(=O)c23)O1 ZINC000000134782 291015563 /nfs/dbraw/zinc/01/55/63/291015563.db2.gz FVPDHIHSSUEMOI-UHFFFAOYSA-N 0 0 344.366 5.390 1 0 biogenic,in-vitro EKAFRN Cc1ccc2nc(-c3ccc(NCc4cccnc4)cc3)sc2c1 ZINC000000211174 201449189 /nfs/dbraw/zinc/44/91/89/201449189.db2.gz FVFJOMPOJQBMDB-UHFFFAOYSA-N 0 0 331.444 5.279 1 0 EKAFRN O=C(NC1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000000429170 209595179 /nfs/dbraw/zinc/59/51/79/209595179.db2.gz DRRVKJVXWIXVSF-UHFFFAOYSA-N 0 0 342.826 5.087 1 0 EKAFRN FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc32)c1 ZINC000001502393 201359017 /nfs/dbraw/zinc/35/90/17/201359017.db2.gz UZNTWHBHIHKRLK-UHFFFAOYSA-N 0 0 339.320 5.311 1 0 EKAFRN CCc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1 ZINC000001543678 209758812 /nfs/dbraw/zinc/75/88/12/209758812.db2.gz OZPPXEJMNBVQQU-UHFFFAOYSA-N 0 0 341.495 6.237 1 0 EKAFRN CCc1c(OC(CC)CC)cc(C)nc1Oc1c(C)cc(C)cc1C ZINC000001543679 201358434 /nfs/dbraw/zinc/35/84/34/201358434.db2.gz VTFYRTOBOOBDCA-UHFFFAOYSA-N 0 0 341.495 6.237 1 0 EKAFRN CCCc1c(C(C)C)cc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 ZINC000001551451 560182106 /nfs/dbraw/zinc/18/21/06/560182106.db2.gz VDTWKXAPIQBOMO-MRXNPFEDSA-N 0 0 342.498 6.745 1 0 in-vitro EKAFRN ClC(Cl)=C(Cl)[C@]1(Cl)C[C@H]1COCc1ccccc1 ZINC000001629092 209769534 /nfs/dbraw/zinc/76/95/34/209769534.db2.gz WLHDJGPWRKGCGB-GWCFXTLKSA-N 0 0 326.050 5.086 1 0 EKAFRN c1csc(-c2nc3ccccc3nc2SCc2ccccc2)c1 ZINC000001633406 209770764 /nfs/dbraw/zinc/77/07/64/209770764.db2.gz UNWXUHPFCOSAFU-UHFFFAOYSA-N 0 0 334.469 5.651 1 0 EKAFRN c1csc(-c2cc(-c3ccsc3)c(-c3cccs3)s2)c1 ZINC000001636198 209771621 /nfs/dbraw/zinc/77/16/21/209771621.db2.gz PKJBFYBPHBGGLX-UHFFFAOYSA-N 0 0 330.524 6.934 1 0 EKAFRN c1csc(-c2cc(-c3cccs3)c(-c3cccs3)s2)c1 ZINC000001636200 209771508 /nfs/dbraw/zinc/77/15/08/209771508.db2.gz DCPXRPFZUQQHBW-UHFFFAOYSA-N 0 0 330.524 6.934 1 0 EKAFRN O=P1(c2ccccc2)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000001642177 209772250 /nfs/dbraw/zinc/77/22/50/209772250.db2.gz YSMZAYVFDLZNBM-FGZHOGPDSA-N 0 0 332.383 5.951 1 0 EKAFRN CCO[P@](C)(=O)[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000001645995 209774014 /nfs/dbraw/zinc/77/40/14/209774014.db2.gz QONJQAUHSKXQFB-AOMKIAJQSA-N 0 0 325.295 5.020 1 0 EKAFRN CCO[P@@](C)(=O)[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000001645996 209774640 /nfs/dbraw/zinc/77/46/40/209774640.db2.gz QONJQAUHSKXQFB-KSFYIVLOSA-N 0 0 325.295 5.020 1 0 EKAFRN Brc1ccc2c(c1)[C@H]1CCc3c4ccccc4[nH]c3[C@H]1N2 ZINC000001858504 209800987 /nfs/dbraw/zinc/80/09/87/209800987.db2.gz WYIMSVWJWNMLEY-ACJLOTCBSA-N 0 0 339.236 5.127 1 0 EKAFRN CC(C)=CCC[C@@]1(Sc2ccccc2)C(=O)OC[C@@H]1C=C(C)C ZINC000001862099 209800860 /nfs/dbraw/zinc/80/08/60/209800860.db2.gz PHICXSXVRZDAIF-PXNSSMCTSA-N 0 0 330.493 5.403 1 0 EKAFRN Cn1cc(-c2csc(-c3cn(C)c4ccccc34)n2)c2ccccc21 ZINC000001863765 209799800 /nfs/dbraw/zinc/79/98/00/209799800.db2.gz HYQSUQWRBUUGKP-UHFFFAOYSA-N 0 0 343.455 5.461 1 0 EKAFRN CN(c1ccccc1)c1nc2sccc2c(N(C)c2ccccc2)n1 ZINC000001905389 209803243 /nfs/dbraw/zinc/80/32/43/209803243.db2.gz YFETZFKSFXPGHJ-UHFFFAOYSA-N 0 0 346.459 5.227 1 0 EKAFRN C[P@@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccccc1 ZINC000003151887 201558485 /nfs/dbraw/zinc/55/84/85/201558485.db2.gz MKUNBZPZHNINQV-NRFANRHFSA-N 0 0 347.298 5.612 1 0 EKAFRN C[P@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccccc1 ZINC000003151888 201557693 /nfs/dbraw/zinc/55/76/93/201557693.db2.gz MKUNBZPZHNINQV-OAQYLSRUSA-N 0 0 347.298 5.612 1 0 EKAFRN CCCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000003583872 201577655 /nfs/dbraw/zinc/57/76/55/201577655.db2.gz JQEJFVMLJMTMMV-UHFFFAOYSA-N 0 0 348.324 5.211 1 0 EKAFRN O=C(NC1CCCCC1)c1cc(Nc2ccccc2)nc2ccccc21 ZINC000003585721 210059254 /nfs/dbraw/zinc/05/92/54/210059254.db2.gz RKOLECMYHBFEPL-UHFFFAOYSA-N 0 0 345.446 5.041 1 0 EKAFRN c1ccc(S[C@H]2CC/C3=C/CCCCCC4(OCCO4)[C@@H]32)cc1 ZINC000003589378 210059390 /nfs/dbraw/zinc/05/93/90/210059390.db2.gz IFZRGLLWHBHOTE-WNPVJCIISA-N 0 0 330.493 5.191 1 0 EKAFRN Cc1cc(CCCOc2c(C)cc(-c3ccc(F)cc3)cc2C)on1 ZINC000003590502 201578087 /nfs/dbraw/zinc/57/80/87/201578087.db2.gz RDVURGUURNOSQK-UHFFFAOYSA-N 0 0 339.410 5.418 1 0 EKAFRN Cc1cc(CCCOc2c(C)cc(-c3cccc(F)c3)cc2C)on1 ZINC000003590504 210058775 /nfs/dbraw/zinc/05/87/75/210058775.db2.gz JZOMCWIDFPUMDU-UHFFFAOYSA-N 0 0 339.410 5.418 1 0 EKAFRN Cc1cc(CCCOc2c(C)cc(-c3ccc(C)cc3)cc2C)on1 ZINC000003590531 201577437 /nfs/dbraw/zinc/57/74/37/201577437.db2.gz CZZQIHRLIRTTSS-UHFFFAOYSA-N 0 0 335.447 5.587 1 0 EKAFRN Cc1cc(CCCOc2c(C)cc(-c3cccc(C)c3)cc2C)on1 ZINC000003590534 210059939 /nfs/dbraw/zinc/05/99/39/210059939.db2.gz VXGLCWZHWYFUBF-UHFFFAOYSA-N 0 0 335.447 5.587 1 0 EKAFRN O=c1c(Cc2ccc(Cl)cc2)coc2cc(Cl)cc(Cl)c12 ZINC000003637272 210070454 /nfs/dbraw/zinc/07/04/54/210070454.db2.gz ZFWVWKKUBBXGLT-UHFFFAOYSA-N 0 0 339.605 5.344 1 0 EKAFRN O=C(Nc1ccc(Cl)cc1)N1CCCC12C1CC3CC(C1)CC2C3 ZINC000003637384 210070179 /nfs/dbraw/zinc/07/01/79/210070179.db2.gz GQFGGBPSBFIKSB-UHFFFAOYSA-N 0 0 344.886 5.163 1 0 EKAFRN CCCc1c(=O)[nH]c2ccc(Cl)cc2c1OCC1CCCCC1 ZINC000003648759 210070529 /nfs/dbraw/zinc/07/05/29/210070529.db2.gz MUZJGRQOUCTDTF-UHFFFAOYSA-N 0 0 333.859 5.093 1 0 EKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2c1cccnc1 ZINC000003797546 210074885 /nfs/dbraw/zinc/07/48/85/210074885.db2.gz SHEKPCQUIGUFBA-YXPKMTABSA-N 0 0 331.459 5.337 1 0 EKAFRN CCCc1cc(Cl)c2oc(Cc3ccc(Cl)cc3)c(C)c2c1O ZINC000003800385 210075763 /nfs/dbraw/zinc/07/57/63/210075763.db2.gz KBYLYZYSBMPRGR-UHFFFAOYSA-N 0 0 349.257 6.297 1 0 EKAFRN CCC(=CCN1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@@H]1C)CC ZINC000003805209 210075397 /nfs/dbraw/zinc/07/53/97/210075397.db2.gz PJGGXOOMJFDSQO-LBPRGKRZSA-N 0 0 349.931 5.303 1 0 EKAFRN Cc1c(-c2ccccc2)[nH]c2ncnc(Nc3cccc(Cl)c3)c12 ZINC000003815180 210077241 /nfs/dbraw/zinc/07/72/41/210077241.db2.gz SUHVLNRNLVTOCF-UHFFFAOYSA-N 0 0 334.810 5.330 1 0 EKAFRN Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1 ZINC000003815311 210076815 /nfs/dbraw/zinc/07/68/15/210076815.db2.gz RFZCRPOSLBJMCF-UHFFFAOYSA-N 0 0 334.810 5.330 1 0 EKAFRN CCCC[C@H]1Oc2ccc(C)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000003831952 210079003 /nfs/dbraw/zinc/07/90/03/210079003.db2.gz YKQNBGVCIMLMLA-OAQYLSRUSA-N 0 0 347.502 6.893 1 0 EKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](C)Oc1ccc(Cl)cc1-3 ZINC000003831982 581093177 /nfs/dbraw/zinc/09/31/77/581093177.db2.gz IDGIKWDCKXJAES-GFCCVEGCSA-N 0 0 325.839 6.068 1 0 EKAFRN CCCC[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000003831987 210079111 /nfs/dbraw/zinc/07/91/11/210079111.db2.gz ACXANRVNFDEJLV-HXUWFJFHSA-N 0 0 333.475 6.585 1 0 EKAFRN Fc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1F ZINC000003832040 210078751 /nfs/dbraw/zinc/07/87/51/210078751.db2.gz QJOICFNPLDJOLA-UHFFFAOYSA-N 0 0 332.353 5.689 1 0 EKAFRN Clc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 ZINC000003832058 210077902 /nfs/dbraw/zinc/07/79/02/210077902.db2.gz FPCNIXTXTWQKQO-UHFFFAOYSA-N 0 0 330.818 6.064 1 0 EKAFRN Clc1cccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)c1 ZINC000003832067 210078621 /nfs/dbraw/zinc/07/86/21/210078621.db2.gz WGVJSWSLJQVVLB-UHFFFAOYSA-N 0 0 330.818 6.064 1 0 EKAFRN COc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000003832083 210078049 /nfs/dbraw/zinc/07/80/49/210078049.db2.gz ZNZIDJUUECFWDP-UHFFFAOYSA-N 0 0 344.389 5.558 1 0 EKAFRN Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)cc2-c2ccncc2)cc1 ZINC000003832126 210078142 /nfs/dbraw/zinc/07/81/42/210078142.db2.gz MIFKZJHNVONIML-UHFFFAOYSA-N 0 0 348.808 6.203 1 0 EKAFRN Fc1ccc(-c2oc(-c3ccc(Cl)cc3)cc2-c2ccncc2)cc1 ZINC000003832166 210078556 /nfs/dbraw/zinc/07/85/56/210078556.db2.gz VFUJKZPVGRYZQX-UHFFFAOYSA-N 0 0 349.792 6.468 1 0 EKAFRN CSc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 ZINC000003832172 210078765 /nfs/dbraw/zinc/07/87/65/210078765.db2.gz WHMXPEFILAQQGE-UHFFFAOYSA-N 0 0 342.467 6.133 1 0 EKAFRN CC1=CC(C)(C)Nc2ccc(-c3ccc(Br)s3)cc21 ZINC000003832318 210078078 /nfs/dbraw/zinc/07/80/78/210078078.db2.gz UCFWDQPOUVOHQR-UHFFFAOYSA-N 0 0 334.282 5.785 1 0 EKAFRN CC1=CC(C)(C)Nc2ccc(-c3cc(Br)cs3)cc21 ZINC000003832319 210078861 /nfs/dbraw/zinc/07/88/61/210078861.db2.gz QRGCGNOXVSPDPZ-UHFFFAOYSA-N 0 0 334.282 5.785 1 0 EKAFRN CC(C)(C)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000003833989 210077830 /nfs/dbraw/zinc/07/78/30/210077830.db2.gz OCLWZPDADKFUMC-UHFFFAOYSA-N 0 0 343.279 5.996 1 0 EKAFRN CC(C)(C)Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1 ZINC000003833990 210078197 /nfs/dbraw/zinc/07/81/97/210078197.db2.gz KACJBPPRTAWEJJ-UHFFFAOYSA-N 0 0 342.226 5.214 1 0 EKAFRN CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)cs1 ZINC000003833995 210078696 /nfs/dbraw/zinc/07/86/96/210078696.db2.gz XGMIGTBDTMGCBK-UHFFFAOYSA-N 0 0 343.279 5.996 1 0 EKAFRN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000003834017 210078000 /nfs/dbraw/zinc/07/80/00/210078000.db2.gz NUHPZXWHNZOAKE-UHFFFAOYSA-N 0 0 348.450 5.029 1 0 EKAFRN Cc1c(NC(=O)Nc2cccc(Cl)c2Cl)onc1C(C)C ZINC000003834018 210077925 /nfs/dbraw/zinc/07/79/25/210077925.db2.gz ADYSYJCZDUMAIZ-UHFFFAOYSA-N 0 0 328.199 5.057 1 0 EKAFRN CC(C)=CCC/C(C)=C/Cc1c2[nH]c3ccccc3c2cc(C)c1O ZINC000003873194 210082438 /nfs/dbraw/zinc/08/24/38/210082438.db2.gz JSSIAXXILAGJKE-FOWTUZBSSA-N 0 0 333.475 6.570 1 0 EKAFRN CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000003875805 210082335 /nfs/dbraw/zinc/08/23/35/210082335.db2.gz OORFXDSWECAQLI-OAHLLOKOSA-N 0 0 328.496 6.260 1 0 EKAFRN CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000003875806 210082132 /nfs/dbraw/zinc/08/21/32/210082132.db2.gz OORFXDSWECAQLI-HNNXBMFYSA-N 0 0 328.496 6.260 1 0 EKAFRN CC(C)[C@H]1CC[C@@H](C)[C@@H]([C@H](O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000003896089 201583121 /nfs/dbraw/zinc/58/31/21/201583121.db2.gz JLBHTGXFDNZNJL-ZINXYGQCSA-N 0 0 336.475 5.274 1 0 EKAFRN CC(C)[C@H]1CC[C@H](C)[C@@H]([C@H](O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000003896090 210086688 /nfs/dbraw/zinc/08/66/88/210086688.db2.gz JLBHTGXFDNZNJL-HAFPXEGZSA-N 0 0 336.475 5.274 1 0 EKAFRN CC(C)[C@@H]1CC[C@@H](C)[C@@H]([C@H](O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000003896091 210086153 /nfs/dbraw/zinc/08/61/53/210086153.db2.gz JLBHTGXFDNZNJL-YPVJZLTNSA-N 0 0 336.475 5.274 1 0 EKAFRN CC(C)c1ccc(Nc2c(-c3cccs3)nc3cnccn32)cc1 ZINC000003896523 210086178 /nfs/dbraw/zinc/08/61/78/210086178.db2.gz OPIYHJHMSMMPFZ-UHFFFAOYSA-N 0 0 334.448 5.325 1 0 EKAFRN C[C@@]1(c2ccccc2)OC(=O)[C@@H]2[C@H]1[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000004005702 201586841 /nfs/dbraw/zinc/58/68/41/201586841.db2.gz MULDAFDMOJEJEP-FPQOSCNCSA-N 0 0 336.475 5.382 1 0 EKAFRN C[C@]1(c2ccccc2)OC(=O)[C@@H]2[C@H]1[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000004005703 210098320 /nfs/dbraw/zinc/09/83/20/210098320.db2.gz MULDAFDMOJEJEP-UKPGDCENSA-N 0 0 336.475 5.382 1 0 EKAFRN C[C@@]1(c2ccccc2)OC(=O)[C@@H]2[C@@H]1[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000004005704 210098695 /nfs/dbraw/zinc/09/86/95/210098695.db2.gz MULDAFDMOJEJEP-FLQYYVGBSA-N 0 0 336.475 5.382 1 0 EKAFRN Oc1ccccc1C1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 ZINC000004122082 210126794 /nfs/dbraw/zinc/12/67/94/210126794.db2.gz AGJRUAINHNBCBE-UHFFFAOYSA-N 0 0 330.362 5.177 1 0 EKAFRN COc1ccccc1-c1ccc2ncnc(Nc3ccccc3)c2c1 ZINC000004258326 201595335 /nfs/dbraw/zinc/59/53/35/201595335.db2.gz SEYDAWLUHLINNI-UHFFFAOYSA-N 0 0 327.387 5.049 1 0 EKAFRN COc1cccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)c1 ZINC000004258441 201595576 /nfs/dbraw/zinc/59/55/76/201595576.db2.gz KMACGYJVKXHEGA-UHFFFAOYSA-N 0 0 327.387 5.049 1 0 EKAFRN Fc1ccc(Nc2ncncc2-c2ccccc2C(F)(F)F)cc1 ZINC000004264576 210155509 /nfs/dbraw/zinc/15/55/09/210155509.db2.gz KGLWGKSRHOVICM-UHFFFAOYSA-N 0 0 333.288 5.045 1 0 EKAFRN Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1 ZINC000004266255 210155922 /nfs/dbraw/zinc/15/59/22/210155922.db2.gz JCXYQXGBSULZJL-UHFFFAOYSA-N 0 0 331.444 5.279 1 0 EKAFRN Cc1ccccc1-c1nc2ccccc2c(NCc2cccs2)n1 ZINC000004266289 210156019 /nfs/dbraw/zinc/15/60/19/210156019.db2.gz SZOWAIVUSZXVEK-UHFFFAOYSA-N 0 0 331.444 5.279 1 0 aggregator EKAFRN Cc1cccc(CNc2ncncc2-c2ccccc2C(F)(F)F)c1 ZINC000004268362 210155779 /nfs/dbraw/zinc/15/57/79/210155779.db2.gz UMBIWSCCNFMPBR-UHFFFAOYSA-N 0 0 343.352 5.083 1 0 EKAFRN CCCn1c(C)c(C(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000004475247 210197143 /nfs/dbraw/zinc/19/71/43/210197143.db2.gz ZNIBIJIBEXSCNO-UHFFFAOYSA-N 0 0 327.427 5.744 1 0 aggregator EKAFRN COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@@]12C ZINC000004611570 210232560 /nfs/dbraw/zinc/23/25/60/210232560.db2.gz TWPKVIVCLJTFPY-MBPVOVBZSA-N 0 0 334.500 5.040 1 0 EKAFRN COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000004611571 210231614 /nfs/dbraw/zinc/23/16/14/210231614.db2.gz 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LHUBZJBGWIFBBT-DISFUBAWSA-N 0 0 339.523 5.074 1 0 EKAFRN CC(C)Cc1ccc([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012027815 201822692 /nfs/dbraw/zinc/82/26/92/201822692.db2.gz LHUBZJBGWIFBBT-KTIUQTLCSA-N 0 0 339.523 5.074 1 0 EKAFRN c1ccc2c(c1)CCc1cc3cc4c(nc3nc1-2)-c1ccccc1CC4 ZINC000012940522 211489976 /nfs/dbraw/zinc/48/99/76/211489976.db2.gz GKXQGQRNXLFDOA-UHFFFAOYSA-N 0 0 334.422 5.161 1 0 EKAFRN CCCC[C@@H]1Cc2cc(OC)ccc2-c2nc3cc(OC)ccc3n21 ZINC000012947894 211491439 /nfs/dbraw/zinc/49/14/39/211491439.db2.gz ZEINRHGVJANZKP-OAHLLOKOSA-N 0 0 336.435 5.008 1 0 EKAFRN Fc1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 ZINC000013200797 211535746 /nfs/dbraw/zinc/53/57/46/211535746.db2.gz DVFPFDHTFCJOTK-OAHLLOKOSA-N 0 0 339.222 5.276 1 0 EKAFRN COc1c(O)c2c(cc1C(C)C)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000013302646 211542046 /nfs/dbraw/zinc/54/20/46/211542046.db2.gz HCQUMJYLWCSLLR-QYWGDWMGSA-N 0 0 332.484 5.045 1 0 biogenic,in-vitro EKAFRN COc1c(O)c2c(cc1C(C)C)[C@@H](O)C[C@@H]1C(C)(C)CCC[C@]21C ZINC000013302652 291017465 /nfs/dbraw/zinc/01/74/65/291017465.db2.gz HCQUMJYLWCSLLR-MRUHUIDDSA-N 0 0 332.484 5.045 1 0 biogenic,in-vitro EKAFRN COc1c(O)c2c(cc1C(C)C)[C@@H](OC)C[C@H]1C(C)(C)CCC[C@]21C ZINC000013302655 291017469 /nfs/dbraw/zinc/01/74/69/291017469.db2.gz KEQVPNIOSICVBG-HOIFWPIMSA-N 0 0 346.511 5.699 1 0 biogenic,in-vitro EKAFRN COc1c(O)c2c(cc1C(C)C)[C@@H](OC)C[C@@H]1C(C)(C)CCC[C@]21C ZINC000013302659 291017470 /nfs/dbraw/zinc/01/74/70/291017470.db2.gz KEQVPNIOSICVBG-JKSBSHDWSA-N 0 0 346.511 5.699 1 0 biogenic,in-vitro EKAFRN COc1c(O)c2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@@]21C ZINC000013302667 291017467 /nfs/dbraw/zinc/01/74/67/291017467.db2.gz CZEPBGSMIRTHKN-HRAATJIYSA-N 0 0 330.468 5.195 1 0 biogenic,in-vitro EKAFRN COc1c(O)c(C(C)C)cc2c1[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000013302675 201057720 /nfs/dbraw/zinc/05/77/20/201057720.db2.gz HOQDFKUSWWBYGK-KKSFZXQISA-N 0 0 330.468 5.195 1 0 EKAFRN CC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000013302974 201056632 /nfs/dbraw/zinc/05/66/32/201056632.db2.gz SNKPCSRNBVWIIG-FDFHNCONSA-N 0 0 328.496 5.383 1 0 EKAFRN COc1c(C)c(O)cc2c1Oc1ccc(CC=C(C)C)c(O)c1C=C2 ZINC000013375722 560215461 /nfs/dbraw/zinc/21/54/61/560215461.db2.gz LSRDCIRGVJBGRF-UHFFFAOYSA-N 0 0 338.403 5.200 1 0 in-vitro EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@]1(C)CC[C@@H]3[C@@H]1[C@@H]2C3(C)C ZINC000013376904 571699608 /nfs/dbraw/zinc/69/96/08/571699608.db2.gz CUSONBTUCOAEMV-VZKMNXCRSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@@]1(C)CC[C@@H]3[C@@H]1[C@@H]2C3(C)C ZINC000013376905 571699716 /nfs/dbraw/zinc/69/97/16/571699716.db2.gz CUSONBTUCOAEMV-ALIIGJLFSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C ZINC000013376906 571699686 /nfs/dbraw/zinc/69/96/86/571699686.db2.gz CUSONBTUCOAEMV-LEWJJULVSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C ZINC000013376907 571699704 /nfs/dbraw/zinc/69/97/04/571699704.db2.gz CUSONBTUCOAEMV-LONFEIEESA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(CC=C(C)C)c(C)cc2O1 ZINC000013403749 291014707 /nfs/dbraw/zinc/01/47/07/291014707.db2.gz ORUDNNWDGASPOM-CGIBVWHJSA-N 0 0 326.480 5.815 1 0 biogenic,in-vitro EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@@]1(C)CC[C@H](C(C)(C)O)[C@@H]2C1 ZINC000013412616 571700829 /nfs/dbraw/zinc/70/08/29/571700829.db2.gz VAFPWCIGDGFJNB-QQMNAOGKSA-N 0 0 349.474 5.435 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]2C1 ZINC000013412619 571700799 /nfs/dbraw/zinc/70/07/99/571700799.db2.gz VAFPWCIGDGFJNB-MFEFFIJZSA-N 0 0 349.474 5.435 1 0 endogenous,in-man EKAFRN CC(C)C1=C2CCC(COC(=O)c3ccc(O)cc3)=CC[C@@]2(C)CC1 ZINC000013432020 201057895 /nfs/dbraw/zinc/05/78/95/201057895.db2.gz OKXGQALERULNCC-QFIPXVFZSA-N 0 0 340.463 5.412 1 0 EKAFRN CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c1O ZINC000013435727 291015067 /nfs/dbraw/zinc/01/50/67/291015067.db2.gz NQYBQBZOHCACCR-UHFFFAOYSA-N 0 0 346.467 5.050 1 0 endogenous,in-man EKAFRN CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 ZINC000013437756 560216873 /nfs/dbraw/zinc/21/68/73/560216873.db2.gz XPINZAYSUKBJNK-OAHLLOKOSA-N 0 0 343.486 6.140 1 0 in-vitro EKAFRN CCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 ZINC000013437759 211556956 /nfs/dbraw/zinc/55/69/56/211556956.db2.gz XPINZAYSUKBJNK-HNNXBMFYSA-N 0 0 343.486 6.140 1 0 EKAFRN CC1(C)O[C@H](C(F)(F)F)Nc2ccc(-c3cccc(Cl)c3)cc21 ZINC000013439583 211557330 /nfs/dbraw/zinc/55/73/30/211557330.db2.gz WCLGFCXIOBIRSU-OAHLLOKOSA-N 0 0 341.760 5.573 1 0 EKAFRN CCCc1cc(Cl)c2c(c1O)[C@H](C)[C@@H](Cc1ccc(OC)cc1)O2 ZINC000013453164 211560172 /nfs/dbraw/zinc/56/01/72/211560172.db2.gz VSLLNGYXZIKKLY-SJKOYZFVSA-N 0 0 346.854 5.114 1 0 EKAFRN COc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000013456775 201896848 /nfs/dbraw/zinc/89/68/48/201896848.db2.gz JXEYNIDSBCCZBO-BQYQJAHWSA-N 0 0 326.436 5.180 1 0 EKAFRN CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CCC=C(C)C)CC2 ZINC000013463012 211561733 /nfs/dbraw/zinc/56/17/33/211561733.db2.gz ABVFMWBMLLVZDP-SPLOXXLWSA-N 0 0 346.467 5.157 1 0 EKAFRN CCCCCCSc1cc(-c2ccccc2)c(-c2ccccc2)nn1 ZINC000013470396 538558767 /nfs/dbraw/zinc/55/87/67/538558767.db2.gz OUABKTXLLXNPEI-UHFFFAOYSA-N 0 0 348.515 6.483 1 0 EKAFRN CC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013470778 211563087 /nfs/dbraw/zinc/56/30/87/211563087.db2.gz CXCNKUDUMXKAFZ-INIZCTEOSA-N 0 0 335.447 5.813 1 0 EKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](C(C)C)O2)C(C)=CC(C)(C)N3 ZINC000013470784 201896136 /nfs/dbraw/zinc/89/61/36/201896136.db2.gz LONLTTQFSBAAKV-JOCHJYFZSA-N 0 0 349.474 6.059 1 0 EKAFRN CCC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013470790 211562928 /nfs/dbraw/zinc/56/29/28/211562928.db2.gz DWGAKCJFXFNMID-GOSISDBHSA-N 0 0 349.474 6.203 1 0 EKAFRN C/C=C/[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013470817 211563345 /nfs/dbraw/zinc/56/33/45/211563345.db2.gz UPXAYCYCDXAKMG-JHTBKMLMSA-N 0 0 347.458 5.979 1 0 EKAFRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)c1 ZINC000013474622 211564744 /nfs/dbraw/zinc/56/47/44/211564744.db2.gz FRMOMXCMQJRNOS-UHFFFAOYSA-N 0 0 348.450 5.122 1 0 EKAFRN COc1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1 ZINC000013479205 560217226 /nfs/dbraw/zinc/21/72/26/560217226.db2.gz BQEBXBPAKJNHQZ-UHFFFAOYSA-N 0 0 347.414 5.041 1 0 in-vitro EKAFRN CCCCC/C=C\C/C=C\CCCCCCCCOC(CO)CO ZINC000013479526 211566463 /nfs/dbraw/zinc/56/64/63/211566463.db2.gz WHEFZTXZBXGLQN-HZJYTTRNSA-N 0 0 340.548 5.170 1 0 EKAFRN CCc1nc2c(nccc2-c2ccc(Cl)cc2Cl)n1[C@H](C)CC ZINC000013479587 211565710 /nfs/dbraw/zinc/56/57/10/211565710.db2.gz DOFRGGCTTZMZEU-LLVKDONJSA-N 0 0 348.277 5.939 1 0 EKAFRN COc1cc2ccc(-c3ccccc3)c3c2c(c1OC)CC[C@@H]3OC ZINC000013480691 211566155 /nfs/dbraw/zinc/56/61/55/211566155.db2.gz WJBBEMMDVVGLCP-SFHVURJKSA-N 0 0 334.415 5.158 1 0 EKAFRN COc1cc2ccc(-c3ccccc3)c3c2c(c1OC)CC[C@H]3OC ZINC000013480692 211565667 /nfs/dbraw/zinc/56/56/67/211565667.db2.gz WJBBEMMDVVGLCP-GOSISDBHSA-N 0 0 334.415 5.158 1 0 EKAFRN CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc21 ZINC000013487453 581092191 /nfs/dbraw/zinc/09/21/91/581092191.db2.gz HXXGIDLDLCJJDB-UHFFFAOYSA-N 0 0 340.422 5.079 1 0 EKAFRN Cc1sc(N)c(C(=O)c2cc(C)c3cc(Cl)ccc3c2)c1C ZINC000013493370 211568273 /nfs/dbraw/zinc/56/82/73/211568273.db2.gz XABPOVOSVLTFAK-UHFFFAOYSA-N 0 0 329.852 5.293 1 0 EKAFRN CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)OCC ZINC000013507196 201056671 /nfs/dbraw/zinc/05/66/71/201056671.db2.gz SNXPWYFWAZVIAU-MGCRXFEJSA-N 0 0 332.528 6.695 1 0 EKAFRN Oc1ccc(C(=C2C[C@@H]3C[C@H]2[C@@H]2CCC[C@H]23)c2ccc(O)cc2)cc1 ZINC000013517918 201899246 /nfs/dbraw/zinc/89/92/46/201899246.db2.gz MMDMIFJZBQXIPJ-DVWBAYGPSA-N 0 0 332.443 5.356 1 0 EKAFRN CC1(C)C(=C(c2ccc(O)cc2)c2ccc(O)cc2)[C@]2(C)CC[C@H]1C2 ZINC000013517930 201898926 /nfs/dbraw/zinc/89/89/26/201898926.db2.gz QAUMFYYKPXCJLD-GAJHUEQPSA-N 0 0 334.459 5.746 1 0 EKAFRN CC(C)(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2 ZINC000013520375 211570995 /nfs/dbraw/zinc/57/09/95/211570995.db2.gz YNMXLZWEYKEXIB-UHFFFAOYSA-N 0 0 334.510 5.184 1 0 EKAFRN Clc1sc(Cl)c2c1CCCc1cnn(Cc3ccccc3)c1-2 ZINC000013537810 201898944 /nfs/dbraw/zinc/89/89/44/201898944.db2.gz CQBJEPBMMZYRSM-UHFFFAOYSA-N 0 0 349.286 5.455 1 0 EKAFRN CCc1c(-c2ccccc2)nn(-c2ccc(O)cc2)c1-c1ccccc1 ZINC000013558369 211579060 /nfs/dbraw/zinc/57/90/60/211579060.db2.gz LVCJDIMRZPCSEH-UHFFFAOYSA-N 0 0 340.426 5.474 1 0 EKAFRN CCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000013558370 201900669 /nfs/dbraw/zinc/90/06/69/201900669.db2.gz AFVCAVOMLFGOQX-UHFFFAOYSA-N 0 0 340.426 5.474 1 0 EKAFRN CCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000013558573 211578634 /nfs/dbraw/zinc/57/86/34/211578634.db2.gz SCUXBCYEQYOSDC-UHFFFAOYSA-N 0 0 340.422 6.549 1 0 EKAFRN CCc1c(-c2ccccc2)oc(-c2ccc(O)cc2)c1-c1ccccc1 ZINC000013558575 211579164 /nfs/dbraw/zinc/57/91/64/211579164.db2.gz GUAPZQZUCCDQKC-UHFFFAOYSA-N 0 0 340.422 6.549 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccccc3)s2)cc1 ZINC000013558579 211578440 /nfs/dbraw/zinc/57/84/40/211578440.db2.gz HWMMJYGIAQSHCR-UHFFFAOYSA-N 0 0 344.435 6.160 1 0 EKAFRN Nc1sc2c(c1C(=O)c1ccc(C3CCCCC3)cc1)CCCC2 ZINC000013558666 211579033 /nfs/dbraw/zinc/57/90/33/211579033.db2.gz UTDORDVWSJHXQW-UHFFFAOYSA-N 0 0 339.504 5.488 1 0 EKAFRN O=Nc1c2ccccc2[nH]c1C1C(=O)Nc2cc(Cl)c(Cl)cc21 ZINC000013559472 211578850 /nfs/dbraw/zinc/57/88/50/211578850.db2.gz AYSFEKIVJXIJTM-UHFFFAOYSA-N 0 0 346.173 5.727 1 0 EKAFRN O=c1[nH]c(CCC[C@@H]2CC=C(c3ccccc3)CC2)nc2ccccc21 ZINC000013581567 201902162 /nfs/dbraw/zinc/90/21/62/201902162.db2.gz ATCYMNXIYDUNDJ-QGZVFWFLSA-N 0 0 344.458 5.130 1 0 EKAFRN CCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 ZINC000013583446 581093385 /nfs/dbraw/zinc/09/33/85/581093385.db2.gz IZUMHFDUSAWWQU-BQSWGBOTSA-N 0 0 342.523 5.360 1 0 EKAFRN CCc1cc(CC)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 ZINC000013585040 211587011 /nfs/dbraw/zinc/58/70/11/211587011.db2.gz FMJOKFGZMFCIQL-UHFFFAOYSA-N 0 0 327.431 5.188 1 0 EKAFRN O=C(CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1 ZINC000013587162 581101977 /nfs/dbraw/zinc/10/19/77/581101977.db2.gz HWZHDGRMABBYOV-UHFFFAOYSA-N 0 0 349.430 5.554 1 0 in-vivo EKAFRN O=C(CCCCC/C=C/c1ccc(-c2ccccc2)cc1)c1ncco1 ZINC000013587174 581102010 /nfs/dbraw/zinc/10/20/10/581102010.db2.gz AHIZRRNUFLYTPT-WEVVVXLNSA-N 0 0 345.442 6.188 1 0 in-vivo EKAFRN c1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1 ZINC000013588172 581092175 /nfs/dbraw/zinc/09/21/75/581092175.db2.gz YXIIIHIHDBMOTL-UHFFFAOYSA-N 0 0 348.456 5.645 1 0 EKAFRN c1csc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)c1 ZINC000013588182 581092151 /nfs/dbraw/zinc/09/21/51/581092151.db2.gz YKJMMLPNQSTDLZ-UHFFFAOYSA-N 0 0 347.468 6.250 1 0 EKAFRN CCC[C@H]1Cc2cc(OC)ccc2-c2c(C=O)c3ccc(OC)cc3n21 ZINC000013606357 211591628 /nfs/dbraw/zinc/59/16/28/211591628.db2.gz RQMFOHOQRSYMAX-HNNXBMFYSA-N 0 0 349.430 5.035 1 0 EKAFRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCCC3)cc1 ZINC000013606854 211591977 /nfs/dbraw/zinc/59/19/77/211591977.db2.gz YHWOIWRKZSFZLR-XNTDXEJSSA-N 0 0 333.475 5.515 1 0 EKAFRN CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)C(C)C)c(O)c1C ZINC000013650340 211599465 /nfs/dbraw/zinc/59/94/65/211599465.db2.gz ULIWXXZCZLMQBU-XNTDXEJSSA-N 0 0 346.467 5.316 1 0 biogenic,in-vitro EKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1 ZINC000013650897 211599393 /nfs/dbraw/zinc/59/93/93/211599393.db2.gz VSIMDGDJOGYVHX-URYYLNOGSA-N 0 0 348.486 5.136 1 0 EKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CCCO5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013671519 211603911 /nfs/dbraw/zinc/60/39/11/211603911.db2.gz RYPQMODPXMALLX-JAMPEYMFSA-N 0 0 330.512 5.147 1 0 EKAFRN CCCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c21 ZINC000013672012 211603785 /nfs/dbraw/zinc/60/37/85/211603785.db2.gz RCPBGBWHKGZPFO-CMDGGOBGSA-N 0 0 346.382 5.498 1 0 in-vitro EKAFRN c1c2c(nn1-c1ccccc1)c(NC1CCCCC1)nc1ccccc21 ZINC000013672192 211603908 /nfs/dbraw/zinc/60/39/08/211603908.db2.gz WNXQEGFQSVSQOB-UHFFFAOYSA-N 0 0 342.446 5.318 1 0 EKAFRN Oc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc(O)cc3C2)cc1 ZINC000013673475 211603878 /nfs/dbraw/zinc/60/38/78/211603878.db2.gz KYKWZUMHVAPNQH-UHFFFAOYSA-N 0 0 334.802 5.266 1 0 EKAFRN O=C1c2ccc(O)cc2CC[C@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000013675290 201908025 /nfs/dbraw/zinc/90/80/25/201908025.db2.gz WSDRZGNMHVUJFX-FQEVSTJZSA-N 0 0 328.411 5.047 1 0 EKAFRN CC[C@]1(c2cccc(Cl)c2)Cc2ccccc2-n2cccc2C1=O ZINC000013675371 211606011 /nfs/dbraw/zinc/60/60/11/211606011.db2.gz BBHRXLPMHTVRTP-OAQYLSRUSA-N 0 0 335.834 5.218 1 0 EKAFRN CC(C)(C)OC(=O)c1[nH]c2ccccc2c1Sc1ccccc1 ZINC000013680289 211606732 /nfs/dbraw/zinc/60/67/32/211606732.db2.gz LIZHEUAWHXAQOZ-UHFFFAOYSA-N 0 0 325.433 5.274 1 0 EKAFRN CC(C)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 ZINC000013684417 211609052 /nfs/dbraw/zinc/60/90/52/211609052.db2.gz VMRIQAPFNJVYQI-UHFFFAOYSA-N 0 0 340.430 5.324 1 0 EKAFRN Oc1ccc(C(c2ccc(O)cc2)=C2CCC[C@H](CCCF)C2)cc1 ZINC000013685689 211610665 /nfs/dbraw/zinc/61/06/65/211610665.db2.gz KGHFEDXCHFONJK-MRXNPFEDSA-N 0 0 340.438 5.840 1 0 EKAFRN COC1(c2ccc(OCc3ccc4ccccc4c3)cc2)CCOCC1 ZINC000013725426 211622389 /nfs/dbraw/zinc/62/23/89/211622389.db2.gz DJPDYAKQXYDSIT-UHFFFAOYSA-N 0 0 348.442 5.071 1 0 EKAFRN CC(=O)OC1=C(c2ccccc2)Sc2ccc(C)cc2-n2cccc21 ZINC000013739878 211629152 /nfs/dbraw/zinc/62/91/52/211629152.db2.gz AAHGDCOQBZOQPP-UHFFFAOYSA-N 0 0 347.439 5.280 1 0 EKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)ccc1C ZINC000013742180 201913580 /nfs/dbraw/zinc/91/35/80/201913580.db2.gz HIBLHAFOALQVNG-UHFFFAOYSA-N 0 0 348.446 5.587 1 0 EKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)cc(C)c1 ZINC000013742183 201912887 /nfs/dbraw/zinc/91/28/87/201912887.db2.gz ZLAYSIHBHVSXAW-UHFFFAOYSA-N 0 0 348.446 5.587 1 0 EKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1CC ZINC000013742184 211628801 /nfs/dbraw/zinc/62/88/01/211628801.db2.gz OSFVSUUFEJIXBO-UHFFFAOYSA-N 0 0 348.446 5.532 1 0 EKAFRN CCCC(=O)c1cnc2c(cccc2[C@@H](C)O)c1Nc1ccccc1C ZINC000013742260 211629316 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1 0 EKAFRN CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013760805 211633629 /nfs/dbraw/zinc/63/36/29/211633629.db2.gz YFNAXUOEWYCQHW-NWWWSWJSSA-N 0 0 346.555 5.375 1 0 EKAFRN CC[C@@H](C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O ZINC000013765029 201914070 /nfs/dbraw/zinc/91/40/70/201914070.db2.gz LIKRETBXJYZCFC-MRXNPFEDSA-N 0 0 344.458 5.089 1 0 EKAFRN CC[C@H](C)N1CCCc2c(nc3ccccc3c2-c2ccccc2)C1=O ZINC000013765031 201914375 /nfs/dbraw/zinc/91/43/75/201914375.db2.gz LIKRETBXJYZCFC-INIZCTEOSA-N 0 0 344.458 5.089 1 0 EKAFRN CC[C@H](C)N1CCCc2c3ccccc3c(-c3ccccc3)nc2C1=O ZINC000013765073 211634001 /nfs/dbraw/zinc/63/40/01/211634001.db2.gz ZPGQGOBFLQNSNU-INIZCTEOSA-N 0 0 344.458 5.089 1 0 EKAFRN CCOc1c(=O)c2cc(Cl)ccc2oc1-c1c(C)cc(C)cc1C ZINC000013776571 211636361 /nfs/dbraw/zinc/63/63/61/211636361.db2.gz KQGYIAGWOVTFKI-UHFFFAOYSA-N 0 0 342.822 5.437 1 0 EKAFRN Cc1nc2c(OCc3c(Cl)cccc3Cl)cccn2c1Cl ZINC000013778240 201915660 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O=C1N=C(c2ccc(-c3ccccc3)cc2)SC1c1ccccc1 ZINC000013822590 211645078 /nfs/dbraw/zinc/64/50/78/211645078.db2.gz KSFWMLJYONRPPI-UHFFFAOYSA-N 0 0 329.424 5.850 1 0 EKAFRN CCc1cc(CCc2nc3c(cccc3Cl)o2)c(=S)[nH]c1C ZINC000013826403 211646522 /nfs/dbraw/zinc/64/65/22/211646522.db2.gz LSDYBXHTYOZVST-UHFFFAOYSA-N 0 0 332.856 5.195 1 0 EKAFRN CC(C)(C)c1cc(C=CC2N=NC(=S)S2)cc(C(C)(C)C)c1O ZINC000013826649 211647534 /nfs/dbraw/zinc/64/75/34/211647534.db2.gz ZWGTUOQMKRRRNZ-BQYQJAHWSA-N 0 0 348.537 5.298 1 0 EKAFRN COc1c(C(C)(C)C)cc(C2N=NC(=S)S2)cc1C(C)(C)C ZINC000013826659 211647504 /nfs/dbraw/zinc/64/75/04/211647504.db2.gz OOQUQJACOYHCKO-UHFFFAOYSA-N 0 0 336.526 5.097 1 0 EKAFRN COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc(OC)ccc32)cc1 ZINC000013829706 211646345 /nfs/dbraw/zinc/64/63/45/211646345.db2.gz YXJPSGXLAJUYFS-FCHUYYIVSA-N 0 0 346.426 5.360 1 0 EKAFRN COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3ccc(OC)cc32)cc1 ZINC000013829840 211647626 /nfs/dbraw/zinc/64/76/26/211647626.db2.gz CUVDZKHXIYZNDB-OFNKIYASSA-N 0 0 346.426 5.360 1 0 EKAFRN COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C)c32)cc1 ZINC000013829886 211646982 /nfs/dbraw/zinc/64/69/82/211646982.db2.gz HBMXHMNJNJKXGF-YADHBBJMSA-N 0 0 344.454 5.968 1 0 EKAFRN Cc1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)c(C)c1 ZINC000013833485 211648595 /nfs/dbraw/zinc/64/85/95/211648595.db2.gz OQWQDRNZODZFHJ-UHFFFAOYSA-N 0 0 336.479 5.327 1 0 EKAFRN Cc1nc2cc(-c3cc4ccccc4s3)[nH]c2c(N2CCCCC2)n1 ZINC000013834986 135703434 /nfs/dbraw/zinc/70/34/34/135703434.db2.gz NVKKJHXNQMXJRD-UHFFFAOYSA-N 0 0 348.475 5.138 1 0 EKAFRN CCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 ZINC000013835097 211648240 /nfs/dbraw/zinc/64/82/40/211648240.db2.gz NJDBQBGRUVDBND-UHFFFAOYSA-N 0 0 342.870 5.145 1 0 EKAFRN CCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000013835217 211647982 /nfs/dbraw/zinc/64/79/82/211647982.db2.gz JSFQYQGKKAJNON-VROINQGHSA-N 0 0 342.523 5.560 1 0 EKAFRN COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c3c2CCCC3)cc1 ZINC000013835370 211648659 /nfs/dbraw/zinc/64/86/59/211648659.db2.gz QBHFMNOQYWUXOU-UHFFFAOYSA-N 0 0 333.431 5.245 1 0 EKAFRN Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2C2CCC3CC2)cc1 ZINC000013835389 211647861 /nfs/dbraw/zinc/64/78/61/211647861.db2.gz PJFSTCAIAQWJBR-UHFFFAOYSA-N 0 0 335.397 6.382 1 0 EKAFRN O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)ccc12 ZINC000013835599 211648816 /nfs/dbraw/zinc/64/88/16/211648816.db2.gz CLAWFMMPPHDBRE-UHFFFAOYSA-N 0 0 328.367 5.039 1 0 EKAFRN C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21 ZINC000013860664 581092437 /nfs/dbraw/zinc/09/24/37/581092437.db2.gz VJEWIKPUMZOACV-QFIPXVFZSA-N 0 0 347.845 5.460 1 0 EKAFRN C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21 ZINC000013860665 581092359 /nfs/dbraw/zinc/09/23/59/581092359.db2.gz VJEWIKPUMZOACV-JOCHJYFZSA-N 0 0 347.845 5.460 1 0 EKAFRN CCCc1c(C(C)C)cc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 ZINC000013919438 201920927 /nfs/dbraw/zinc/92/09/27/201920927.db2.gz VDTWKXAPIQBOMO-INIZCTEOSA-N 0 0 342.498 6.745 1 0 in-vitro EKAFRN O=C1CCCCCCCCCCCCCCCCCCCCCO1 ZINC000014449071 291017635 /nfs/dbraw/zinc/01/76/35/291017635.db2.gz JVNNUYHKIWNNOR-UHFFFAOYSA-N 0 0 338.576 7.345 1 0 biogenic,in-vitro EKAFRN CC(C)=CCC[C@]1(C)C=Cc2c3[nH]c4ccccc4c3cc(C=O)c2O1 ZINC000014585294 571712386 /nfs/dbraw/zinc/71/23/86/571712386.db2.gz VEZSSHVWEILOAM-HSZRJFAPSA-N 0 0 345.442 6.044 1 0 endogenous,in-man EKAFRN CC(C)=CCC[C@@]1(C)C=Cc2c3[nH]c4ccccc4c3cc(C=O)c2O1 ZINC000014585296 571712403 /nfs/dbraw/zinc/71/24/03/571712403.db2.gz VEZSSHVWEILOAM-QHCPKHFHSA-N 0 0 345.442 6.044 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@](C)(CCCC(C)(C)O)C=C2 ZINC000014585298 571712383 /nfs/dbraw/zinc/71/23/83/571712383.db2.gz ZMSFODUWJLWJOE-HSZRJFAPSA-N 0 0 349.474 5.735 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@@](C)(CCCC(C)(C)O)C=C2 ZINC000014585299 571712304 /nfs/dbraw/zinc/71/23/04/571712304.db2.gz ZMSFODUWJLWJOE-QHCPKHFHSA-N 0 0 349.474 5.735 1 0 endogenous,in-man EKAFRN CCCCC/C=C/CCCCCC/C=C\C=C\C(=O)N1CCCCC1 ZINC000014616273 571716378 /nfs/dbraw/zinc/71/63/78/571716378.db2.gz HFWMTBWJCPVZTO-ZQACVTJVSA-N 0 0 345.571 6.588 1 0 endogenous,in-man EKAFRN CC(C)=CCOc1cc2c(=O)cc(-c3ccccc3)oc2c2ccoc21 ZINC000014618800 291015064 /nfs/dbraw/zinc/01/50/64/291015064.db2.gz VZSKLDHXYLNZMO-UHFFFAOYSA-N 0 0 346.382 5.551 1 0 biogenic,in-vitro EKAFRN C/C(=C/CC[C@@]1(C)C2C[C@@H]3[C@H](C2)C31C)COC(=O)Cc1ccccc1 ZINC000014690777 571720210 /nfs/dbraw/zinc/72/02/10/571720210.db2.gz ISBNMFLPVWHCIH-FHVGVICVSA-N 0 0 338.491 5.181 1 0 endogenous,in-man EKAFRN C/C(=C/CC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C)COC(=O)Cc1ccccc1 ZINC000014690779 571720899 /nfs/dbraw/zinc/72/08/99/571720899.db2.gz ISBNMFLPVWHCIH-UPMLWZHBSA-N 0 0 338.491 5.181 1 0 endogenous,in-man EKAFRN C/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CO ZINC000014691389 211754726 /nfs/dbraw/zinc/75/47/26/211754726.db2.gz ZQCPSDWUSDOQTE-PSMGVCQDSA-N 0 0 344.495 5.230 1 0 EKAFRN CC/C=C(\C)[C@H]1C(C)=CC(C)=C[C@]1(C)c1oc(OC)c(C)c(=O)c1C ZINC000014770945 201058374 /nfs/dbraw/zinc/05/83/74/201058374.db2.gz COQVDOXGJFWFLT-SXMZHRFESA-N 0 0 342.479 5.402 1 0 EKAFRN Cc1ccc2[nH]c3c(ccc4c3[C@@H]3[C@@H]5[C@@H](CC[C@@]5(C)O4)C3(C)C)c2c1 ZINC000014859658 571726390 /nfs/dbraw/zinc/72/63/90/571726390.db2.gz YNDNDGLKKJXJED-DTTQMBTESA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1ccc2[nH]c3c(ccc4c3[C@H]3[C@@H]5[C@@H](CC[C@@]5(C)O4)C3(C)C)c2c1 ZINC000014859659 571726628 /nfs/dbraw/zinc/72/66/28/571726628.db2.gz YNDNDGLKKJXJED-LEJSXIJDSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1ccc2[nH]c3c(ccc4c3[C@@H]3[C@H]5[C@@H](CC[C@@]5(C)O4)C3(C)C)c2c1 ZINC000014859660 571726601 /nfs/dbraw/zinc/72/66/01/571726601.db2.gz YNDNDGLKKJXJED-NSOPBCBCSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1ccc2[nH]c3c(ccc4c3[C@H]3[C@H]5[C@@H](CC[C@@]5(C)O4)C3(C)C)c2c1 ZINC000014859661 571726439 /nfs/dbraw/zinc/72/64/39/571726439.db2.gz YNDNDGLKKJXJED-VFFGQJHTSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@]1(C)CC[C@@H]3[C@H]1[C@@H]2C3(C)C ZINC000014859662 574413700 /nfs/dbraw/zinc/41/37/00/574413700.db2.gz CUSONBTUCOAEMV-MUXOPTKESA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN Cc1cc2c3ccccc3[nH]c2c2c1O[C@]1(C)CC[C@@H]3[C@H]1[C@H]2C3(C)C ZINC000014859663 574413699 /nfs/dbraw/zinc/41/36/99/574413699.db2.gz CUSONBTUCOAEMV-LPSTTYAQSA-N 0 0 331.459 5.930 1 0 endogenous,in-man EKAFRN COc1cc2cc(-c3ccccc3)c(-c3ccccc3)nc2cc1OC ZINC000014944892 211772663 /nfs/dbraw/zinc/77/26/63/211772663.db2.gz MRAWBMVCIHFKSI-UHFFFAOYSA-N 0 0 341.410 5.586 1 0 EKAFRN CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccco3)cc21 ZINC000014945730 201944203 /nfs/dbraw/zinc/94/42/03/201944203.db2.gz VNZAKQOQHSANKG-UHFFFAOYSA-N 0 0 335.329 5.119 1 0 EKAFRN CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccccc3)cc21 ZINC000014945733 211772927 /nfs/dbraw/zinc/77/29/27/211772927.db2.gz WKWIUSVAWQBTSV-UHFFFAOYSA-N 0 0 345.368 5.526 1 0 EKAFRN CCCCC[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC=C12 ZINC000014946946 211774353 /nfs/dbraw/zinc/77/43/53/211774353.db2.gz PFMMKGGPOLDMEE-WNYLPTBCSA-N 0 0 344.583 6.507 1 0 EKAFRN C[C@@H](NC(=O)Nc1cccc2cnccc21)c1ccc(C(C)(C)C)cc1 ZINC000014973623 211781894 /nfs/dbraw/zinc/78/18/94/211781894.db2.gz HZFYHEYVDJIJQH-OAHLLOKOSA-N 0 0 347.462 5.415 1 0 EKAFRN CCC(CC)Oc1c(C)c(C)nc(Oc2c(C)cc(C)cc2C)c1C ZINC000014974979 211781258 /nfs/dbraw/zinc/78/12/58/211781258.db2.gz RZROJZBUEHSKIG-UHFFFAOYSA-N 0 0 341.495 6.292 1 0 EKAFRN C/C=C(\CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C ZINC000014975021 211782238 /nfs/dbraw/zinc/78/22/38/211782238.db2.gz NAKAGOOICRJDFB-QGMBQPNBSA-N 0 0 325.452 6.109 1 0 EKAFRN COc1ccc2c3c(oc2c1CC=C(C)C)-c1ccc(O)cc1OC3 ZINC000015115239 560098179 /nfs/dbraw/zinc/09/81/79/560098179.db2.gz BYZVMAQRPFEPSV-UHFFFAOYSA-N 0 0 336.387 5.215 1 0 biogenic,in-vivo EKAFRN C/C(=C\CC/C(C)=C/CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1)CO ZINC000015120192 560228599 /nfs/dbraw/zinc/22/85/99/560228599.db2.gz MYAKCCHNPIRCLY-PSMGVCQDSA-N 0 0 342.479 5.310 1 0 biogenic,in-vitro EKAFRN CC(C)=CCC/C(C)=C/COC(=O)c1ccccc1NCC=C(C)C ZINC000015253700 291015070 /nfs/dbraw/zinc/01/50/70/291015070.db2.gz VOFMHJHFICFREQ-XMHGGMMESA-N 0 0 341.495 5.914 1 0 biogenic,in-vitro EKAFRN C[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]1Cc1cc3ccccc3n12 ZINC000015263825 201059244 /nfs/dbraw/zinc/05/92/44/201059244.db2.gz NEPLKJAINOWIJL-DHNNRRLOSA-N 0 0 335.491 5.334 1 0 in-vivo EKAFRN OCCCCCCCCCCCCCCCCCCCCCO ZINC000015269055 571739218 /nfs/dbraw/zinc/73/92/18/571739218.db2.gz YDIUKXTYXBWRIP-UHFFFAOYSA-N 0 0 328.581 6.383 1 0 endogenous,in-man EKAFRN CC(=O)O[C@@H]1C/C(C)=C/CC[C@@H](C)/C=C\[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]12 ZINC000017106673 211955178 /nfs/dbraw/zinc/95/51/78/211955178.db2.gz QPIUBKNTZMBLLI-XBYFEIFYSA-N 0 0 348.527 5.044 1 0 EKAFRN O[C@@]1(c2ccccc2)[C@@H]2CC=C[C@@H]2C1(c1ccccc1)c1ccccc1 ZINC000017158909 211957935 /nfs/dbraw/zinc/95/79/35/211957935.db2.gz YZUUYMMQSJASJE-ARNLJNQMSA-N 0 0 338.450 5.066 1 0 EKAFRN CC1(C)[C@@H](c2ccccc2)[C@@]12CC[C@]1(C2=O)[C@@H](c2ccccc2)C1(C)C ZINC000017196067 211960056 /nfs/dbraw/zinc/96/00/56/211960056.db2.gz KXLWBFPVIVAVFT-GCYXNMHMSA-N 0 0 344.498 5.969 1 0 EKAFRN CC1(C)[C@H](c2ccccc2)[C@]12CC[C@]1(C2=O)[C@@H](c2ccccc2)C1(C)C ZINC000017196075 211960657 /nfs/dbraw/zinc/96/06/57/211960657.db2.gz KXLWBFPVIVAVFT-OTLGMJNYSA-N 0 0 344.498 5.969 1 0 EKAFRN Cc1ccc(C(=O)C2=CC(c3ccc(C)cc3)S[C@@H]3C=CC[C@H]23)cc1 ZINC000017252447 211961365 /nfs/dbraw/zinc/96/13/65/211961365.db2.gz UZPMSCYFVVIUEA-NJDAHSKKSA-N 0 0 346.495 5.835 1 0 EKAFRN C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000019851445 212076243 /nfs/dbraw/zinc/07/62/43/212076243.db2.gz HZJRRCMQPKSHRC-RHMWETHNSA-N 0 0 348.273 5.220 1 0 EKAFRN C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000019851452 202023857 /nfs/dbraw/zinc/02/38/57/202023857.db2.gz HZJRRCMQPKSHRC-GWIYSAMLSA-N 0 0 348.273 5.220 1 0 EKAFRN CC1CCC(Nc2c(-c3ccc(Cl)cc3)nc3ncccn32)CC1 ZINC000020996900 212195876 /nfs/dbraw/zinc/19/58/76/212195876.db2.gz RVAAQOZEJLYXNI-UHFFFAOYSA-N 0 0 340.858 5.040 1 0 EKAFRN CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(Br)c1 ZINC000025965216 202138173 /nfs/dbraw/zinc/13/81/73/202138173.db2.gz RLDATGZVIQOGNJ-HOTGVXAUSA-N 0 0 349.268 5.548 1 0 EKAFRN CCCCC[C@](C)(O)c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000025985282 212503294 /nfs/dbraw/zinc/50/32/94/212503294.db2.gz PUPULQCZPABFPH-QHCPKHFHSA-N 0 0 349.474 5.602 1 0 EKAFRN CC(C)(C)c1cc(/C=C/c2ccc(Cl)cc2)cc(C(C)(C)C)c1O ZINC000025985758 212503681 /nfs/dbraw/zinc/50/36/81/212503681.db2.gz QXAIAKCWNSSIMA-BQYQJAHWSA-N 0 0 342.910 6.811 1 0 EKAFRN CCCCC(C)(C)[C@@](C)(O)c1cccc(OCc2ccccc2)c1 ZINC000025987535 212504638 /nfs/dbraw/zinc/50/46/38/212504638.db2.gz ZZATYWNLVZYVMP-QFIPXVFZSA-N 0 0 326.480 5.690 1 0 EKAFRN CCCCC[C@@H](O)c1cccc(OCc2ccc3ccccc3c2)c1 ZINC000025990482 202137493 /nfs/dbraw/zinc/13/74/93/202137493.db2.gz MGZWDAYKPAVLRD-HSZRJFAPSA-N 0 0 334.459 6.033 1 0 EKAFRN CCCCC[C@H](O)c1cccc(OCc2ccc3ccccc3c2)c1 ZINC000025990489 202137686 /nfs/dbraw/zinc/13/76/86/202137686.db2.gz MGZWDAYKPAVLRD-QHCPKHFHSA-N 0 0 334.459 6.033 1 0 EKAFRN CC(C)(C)c1cc(/C=C/c2ccc(Cl)s2)cc(C(C)(C)C)c1O ZINC000025990792 212504153 /nfs/dbraw/zinc/50/41/53/212504153.db2.gz RLKISLJTVCVCFO-BQYQJAHWSA-N 0 0 348.939 6.873 1 0 EKAFRN CCC(=C(c1ccccc1)c1ccccc1)c1cccc(OC(C)=O)c1 ZINC000026017204 202138049 /nfs/dbraw/zinc/13/80/49/202138049.db2.gz NTHFEQDCMKYWPZ-UHFFFAOYSA-N 0 0 342.438 5.981 1 0 EKAFRN CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccccc1 ZINC000026017267 212505849 /nfs/dbraw/zinc/50/58/49/212505849.db2.gz UEBLHMVIWONMDE-WCWDXBQESA-N 0 0 342.438 5.981 1 0 EKAFRN CC1=C(Cc2cccc(CO)c2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 ZINC000026166993 202140227 /nfs/dbraw/zinc/14/02/27/202140227.db2.gz IGMDJXNGTXPFSD-SIKLNZKXSA-N 0 0 328.496 5.370 1 0 EKAFRN CC1=C(Cc2cccc(CO)c2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 ZINC000026166997 212508922 /nfs/dbraw/zinc/50/89/22/212508922.db2.gz IGMDJXNGTXPFSD-DENIHFKCSA-N 0 0 328.496 5.370 1 0 EKAFRN COc1c(O)cccc1CC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000026168849 202140292 /nfs/dbraw/zinc/14/02/92/202140292.db2.gz LKSJWYMXAWCGEV-DENIHFKCSA-N 0 0 328.496 5.886 1 0 EKAFRN CC/C=C/c1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000026169119 212508836 /nfs/dbraw/zinc/50/88/36/212508836.db2.gz ANAMDWGJXBYJEB-SOOCPFIJSA-N 0 0 326.480 5.032 1 0 EKAFRN CCNc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(OC)c1-2 ZINC000026177717 202140428 /nfs/dbraw/zinc/14/04/28/202140428.db2.gz DUKKUETTYYTCOP-QFIPXVFZSA-N 0 0 331.415 5.276 1 0 EKAFRN CCS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1 ZINC000026188332 202139962 /nfs/dbraw/zinc/13/99/62/202139962.db2.gz OGHHGUOQXRJFGQ-UHFFFAOYSA-N 0 0 346.448 5.015 1 0 EKAFRN O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)cc2ccccc21 ZINC000026292754 202141495 /nfs/dbraw/zinc/14/14/95/202141495.db2.gz JFUGCZFYEROKRS-UHFFFAOYSA-N 0 0 339.398 5.546 1 0 EKAFRN CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CCCCCF)cc1OC2(C)C ZINC000026382493 212517230 /nfs/dbraw/zinc/51/72/30/212517230.db2.gz FOQPVSQLQDGLCS-SJORKVTESA-N 0 0 332.459 5.685 1 0 EKAFRN CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CCCCCF)cc1OC2(C)C ZINC000026382496 212516849 /nfs/dbraw/zinc/51/68/49/212516849.db2.gz FOQPVSQLQDGLCS-DLBZAZTESA-N 0 0 332.459 5.685 1 0 EKAFRN Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1 ZINC000026382852 202142456 /nfs/dbraw/zinc/14/24/56/202142456.db2.gz GSDNBIVDIXCNAP-UHFFFAOYSA-N 0 0 345.233 5.085 1 0 EKAFRN CCOC(=O)[C@@H]1C[C@@]1(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000026388725 202142370 /nfs/dbraw/zinc/14/23/70/202142370.db2.gz MTGJEKMTXCEFTB-PWZHTVMVSA-N 0 0 342.523 6.161 1 0 EKAFRN CCCCC/C=C\C/C=C\C/C=C\C=C\c1cc(CC(=O)OC)no1 ZINC000026400564 212519032 /nfs/dbraw/zinc/51/90/32/212519032.db2.gz CKXNCLDBKFADGD-RGQRPGJQSA-N 0 0 343.467 5.432 1 0 EKAFRN C/C=C/CN1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 ZINC000026400859 202142300 /nfs/dbraw/zinc/14/23/00/202142300.db2.gz YAOLKTOZWDQIEN-NSCUHMNNSA-N 0 0 334.246 5.724 1 0 EKAFRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC=C2c1cccnc1 ZINC000026498498 202144107 /nfs/dbraw/zinc/14/41/07/202144107.db2.gz SHEKPCQUIGUFBA-BAMDZGJYSA-N 0 0 331.459 5.337 1 0 EKAFRN Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000026573831 202145189 /nfs/dbraw/zinc/14/51/89/202145189.db2.gz UPYHVTCMTMZKAX-UHFFFAOYSA-N 0 0 333.341 5.084 1 0 EKAFRN Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000026574051 202145264 /nfs/dbraw/zinc/14/52/64/202145264.db2.gz WBTZEYLGSORECL-UHFFFAOYSA-N 0 0 329.378 5.253 1 0 EKAFRN CCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000026577161 212526556 /nfs/dbraw/zinc/52/65/56/212526556.db2.gz DFRLPVMELUYXPH-UHFFFAOYSA-N 0 0 338.495 6.530 1 0 EKAFRN CCCCC/C=C\C/C=C\C=C\C=C\c1conc1CCC(=O)OC ZINC000026577488 202145360 /nfs/dbraw/zinc/14/53/60/202145360.db2.gz BPENLZKRQSKJIL-QUVOULIFSA-N 0 0 343.467 5.432 1 0 EKAFRN CCCCC/C=C\C/C=C\C=C\C=C\c1cc(CCC(=O)OC)no1 ZINC000026577819 212526454 /nfs/dbraw/zinc/52/64/54/212526454.db2.gz ASROXWDVPGJIKN-QUVOULIFSA-N 0 0 343.467 5.432 1 0 EKAFRN CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(N)=O ZINC000026578725 212526000 /nfs/dbraw/zinc/52/60/00/212526000.db2.gz AWVRFTHLAVKPHT-SFGLVEFQSA-N 0 0 327.512 5.950 1 0 EKAFRN COc1ccc(/C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1N ZINC000026580045 212528469 /nfs/dbraw/zinc/52/84/69/212528469.db2.gz RGFKDGSHJLZDHL-SSZFMOIBSA-N 0 0 349.518 6.187 1 0 EKAFRN O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000026640005 212527638 /nfs/dbraw/zinc/52/76/38/212527638.db2.gz HTXLWCFRXIZERU-UHFFFAOYSA-N 0 0 337.378 5.404 1 0 EKAFRN Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 ZINC000026643672 202146972 /nfs/dbraw/zinc/14/69/72/202146972.db2.gz JIQRYIXFQANSEL-UHFFFAOYSA-N 0 0 348.808 6.203 1 0 EKAFRN Fc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)c(F)c1 ZINC000026646138 202146503 /nfs/dbraw/zinc/14/65/03/202146503.db2.gz QGJRDYNVFPBAJM-UHFFFAOYSA-N 0 0 332.353 5.689 1 0 EKAFRN O=c1oc2ccccc2c2c1cc(-c1ccccc1)n2-c1ccccc1 ZINC000026648993 212529455 /nfs/dbraw/zinc/52/94/55/212529455.db2.gz XHHYEGBPQISUAX-UHFFFAOYSA-N 0 0 337.378 5.404 1 0 EKAFRN CCCC(=O)c1cnc2cc(OC)ccc2c1Nc1ccccc1C ZINC000026655591 202146630 /nfs/dbraw/zinc/14/66/30/202146630.db2.gz JGBUWMZLIMDMRK-UHFFFAOYSA-N 0 0 334.419 5.278 1 0 EKAFRN CC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 ZINC000026669478 202146133 /nfs/dbraw/zinc/14/61/33/202146133.db2.gz WRYKYJFUCUGATQ-UHFFFAOYSA-N 0 0 330.453 5.201 1 0 EKAFRN c1ccc(-n2c3ccccc3c3c2ncnc3NC2CCCCC2)cc1 ZINC000026672870 202146309 /nfs/dbraw/zinc/14/63/09/202146309.db2.gz TWLVBJQUFAIBDO-UHFFFAOYSA-N 0 0 342.446 5.318 1 0 EKAFRN COc1cccc2c3c(cnc12)c(C(C)C)cn3-c1ccccc1C ZINC000026674895 212530979 /nfs/dbraw/zinc/53/09/79/212530979.db2.gz SVTHOVFACRERMT-UHFFFAOYSA-N 0 0 330.431 5.619 1 0 EKAFRN COc1cccc2c3c(cnc12)c(C(C)C)cn3-c1ccc(O)cc1C ZINC000026719030 212532314 /nfs/dbraw/zinc/53/23/14/212532314.db2.gz KAHKJINCTKNGHA-UHFFFAOYSA-N 0 0 346.430 5.325 1 0 EKAFRN CCc1nc2c(nccc2-c2ccc(OC)cc2C)n1[C@@H](CC)C1CC1 ZINC000026725742 212532557 /nfs/dbraw/zinc/53/25/57/212532557.db2.gz FEHSXCRGIMTPQK-IBGZPJMESA-N 0 0 349.478 5.339 1 0 EKAFRN CCc1nc2c(nccc2-c2ccc(OC)cc2C)n1[C@H](CC)C1CC1 ZINC000026725746 202147932 /nfs/dbraw/zinc/14/79/32/202147932.db2.gz FEHSXCRGIMTPQK-LJQANCHMSA-N 0 0 349.478 5.339 1 0 EKAFRN CSc1ccc(-c2cscc2-c2ccc(SC)cc2)cc1 ZINC000026741705 202148309 /nfs/dbraw/zinc/14/83/09/202148309.db2.gz XQGZZVRZZDNXHR-UHFFFAOYSA-N 0 0 328.527 6.526 1 0 EKAFRN CCC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc32)cc1 ZINC000026834969 202148961 /nfs/dbraw/zinc/14/89/61/202148961.db2.gz UURSBKYCNJOKKX-UHFFFAOYSA-N 0 0 346.474 5.494 1 0 EKAFRN CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc32)cc1 ZINC000026834971 212536792 /nfs/dbraw/zinc/53/67/92/212536792.db2.gz CIMIEFTVOJLVCS-UHFFFAOYSA-N 0 0 332.447 5.104 1 0 EKAFRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc21 ZINC000026835038 212536660 /nfs/dbraw/zinc/53/66/60/212536660.db2.gz QTWMJDPXJLVBRO-UHFFFAOYSA-N 0 0 332.190 5.186 1 0 EKAFRN CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC1(CCCCCC1)O2 ZINC000026840401 202148847 /nfs/dbraw/zinc/14/88/47/202148847.db2.gz JSWOAWAKGVVBJS-UHFFFAOYSA-N 0 0 330.512 6.015 1 0 EKAFRN CSc1cc(-c2ccc(Cl)cc2)oc(=S)c1Br ZINC000026848513 212537850 /nfs/dbraw/zinc/53/78/50/212537850.db2.gz DURXBXLHIVOLCT-UHFFFAOYSA-N 0 0 347.686 5.814 1 0 EKAFRN Oc1cccc(/C(=C(/c2cccc(O)c2)C(F)(F)F)C(F)(F)F)c1 ZINC000026979136 202150633 /nfs/dbraw/zinc/15/06/33/202150633.db2.gz CFKVCSPMSAQRSH-BUHFOSPRSA-N 0 0 348.242 5.133 1 0 EKAFRN CCCO[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000026994036 212543843 /nfs/dbraw/zinc/54/38/43/212543843.db2.gz PJEFWRFWSGVMAK-NRFANRHFSA-N 0 0 335.447 5.779 1 0 EKAFRN CO[C@@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000027079999 212545175 /nfs/dbraw/zinc/54/51/75/212545175.db2.gz OJNSFFIREDVKLU-LJQANCHMSA-N 0 0 325.383 5.138 1 0 EKAFRN c1[nH]c(CCC2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000027105902 202151398 /nfs/dbraw/zinc/15/13/98/202151398.db2.gz LDRZEBLJGQDJKH-UHFFFAOYSA-N 0 0 330.475 6.257 1 0 EKAFRN O=C(c1ccc(Nc2ccc(F)cc2F)cc1)c1ccccc1Cl ZINC000027181534 202153004 /nfs/dbraw/zinc/15/30/04/202153004.db2.gz YBIALBXEHDTAME-UHFFFAOYSA-N 0 0 343.760 5.593 1 0 EKAFRN O=C(c1ccccc1)c1cc(Cc2ccccc2)c(O)c2ccccc12 ZINC000027197046 202152817 /nfs/dbraw/zinc/15/28/17/202152817.db2.gz ZUFIYCWBWHBUBX-UHFFFAOYSA-N 0 0 338.406 5.367 1 0 EKAFRN Oc1c(Cc2cccc(Oc3ccccc3)c2)ccc2ccccc21 ZINC000027199370 212548808 /nfs/dbraw/zinc/54/88/08/212548808.db2.gz GYBNMVPCQRNIRW-UHFFFAOYSA-N 0 0 326.395 5.929 1 0 EKAFRN COc1cc(/C=C/C=C/c2nc3c(ccc4ccccc34)o2)ccc1O ZINC000027205785 212549175 /nfs/dbraw/zinc/54/91/75/212549175.db2.gz GGAYBTBNLITUDD-VDESZNBCSA-N 0 0 343.382 5.422 1 0 EKAFRN CSc1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 ZINC000027330488 212553565 /nfs/dbraw/zinc/55/35/65/212553565.db2.gz HUHDCGBRWLGVOF-UHFFFAOYSA-N 0 0 326.387 5.112 1 0 EKAFRN Cc1c2nc(Cl)cc(C(F)(F)F)c2cc2c1NC(C)(C)C[C@@H]2C ZINC000027415658 202154585 /nfs/dbraw/zinc/15/45/85/202154585.db2.gz JHNZWHOSOLPGTO-QMMMGPOBSA-N 0 0 342.792 5.913 1 0 EKAFRN CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](C)CCCCCC2 ZINC000027517953 202156200 /nfs/dbraw/zinc/15/62/00/202156200.db2.gz URKLLKTVBBRRMX-WBVHZDCISA-N 0 0 340.463 5.497 1 0 EKAFRN CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](C)CCCCCC2 ZINC000027517954 202155928 /nfs/dbraw/zinc/15/59/28/202155928.db2.gz URKLLKTVBBRRMX-NVXWUHKLSA-N 0 0 340.463 5.497 1 0 EKAFRN CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](C)CCCCCC2 ZINC000027517955 202156046 /nfs/dbraw/zinc/15/60/46/202156046.db2.gz URKLLKTVBBRRMX-RDJZCZTQSA-N 0 0 340.463 5.497 1 0 EKAFRN CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](C)CCCCCC2 ZINC000027517956 202156718 /nfs/dbraw/zinc/15/67/18/202156718.db2.gz URKLLKTVBBRRMX-DOTOQJQBSA-N 0 0 340.463 5.497 1 0 EKAFRN Cc1cccc(-c2cc3cc(C)ccc3c(NCc3ccccc3)n2)c1 ZINC000027518484 202156360 /nfs/dbraw/zinc/15/63/60/202156360.db2.gz BIVQEDQITFPTII-UHFFFAOYSA-N 0 0 338.454 6.131 1 0 EKAFRN Cc1c(C(=O)Cc2ccccc2)oc2cc(-c3ccccc3)cc(O)c12 ZINC000027521035 202156325 /nfs/dbraw/zinc/15/63/25/202156325.db2.gz DUKCHKIVSUFGCX-UHFFFAOYSA-N 0 0 342.394 5.539 1 0 EKAFRN CCCCc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c32)cc1 ZINC000027523266 202156681 /nfs/dbraw/zinc/15/66/81/202156681.db2.gz QJBHFBKDZBJXMA-UHFFFAOYSA-N 0 0 330.435 5.506 1 0 EKAFRN CCCCOc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c32)cc1 ZINC000027523738 202156211 /nfs/dbraw/zinc/15/62/11/202156211.db2.gz WQSHUNKAFGHQCW-UHFFFAOYSA-N 0 0 346.434 5.342 1 0 EKAFRN Clc1cc2c(cc1Cl)[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000027524249 202156807 /nfs/dbraw/zinc/15/68/07/202156807.db2.gz GLPPHKINSPDIHC-BGYRXZFFSA-N 0 0 340.253 5.775 1 0 EKAFRN Clc1cc2c(cc1Cl)[C@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000027524250 202156709 /nfs/dbraw/zinc/15/67/09/202156709.db2.gz GLPPHKINSPDIHC-PMACEKPBSA-N 0 0 340.253 5.775 1 0 EKAFRN Fc1ccc(-c2nc(C=Cc3ccccc3)[nH]c2-c2ccncc2)cc1 ZINC000027524692 202156156 /nfs/dbraw/zinc/15/61/56/202156156.db2.gz PXRMXOYBBUMASU-IZZDOVSWSA-N 0 0 341.389 5.448 1 0 EKAFRN CCCCCC12CCC(CC1)[C@@H](c1cc(=O)c3cc(O)ccc3o1)C2 ZINC000027556236 212563711 /nfs/dbraw/zinc/56/37/11/212563711.db2.gz PXDGXLKOYJQZMC-TUAABQIMSA-N 0 0 340.463 5.743 1 0 EKAFRN CCCCCC12CCC(CC1)[C@H](c1cc(=O)c3cc(O)ccc3o1)C2 ZINC000027556238 212564438 /nfs/dbraw/zinc/56/44/38/212564438.db2.gz PXDGXLKOYJQZMC-GXPWMBGSSA-N 0 0 340.463 5.743 1 0 EKAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@H](C)O)C[C@H]21 ZINC000027632047 202158577 /nfs/dbraw/zinc/15/85/77/202158577.db2.gz NLCXTZGJXGMFME-JCGIZDLHSA-N 0 0 344.495 5.097 1 0 EKAFRN CC[C@H](c1cc(O)ccc1Cl)[C@H](CC)c1cc(O)ccc1Cl ZINC000027650077 212571508 /nfs/dbraw/zinc/57/15/08/212571508.db2.gz RAOOGWHROGLOTA-KBPBESRZSA-N 0 0 339.262 6.092 1 0 EKAFRN CC[C@@H](c1cc(O)cc(Cl)c1)[C@@H](CC)c1cc(O)cc(Cl)c1 ZINC000027653948 202159057 /nfs/dbraw/zinc/15/90/57/202159057.db2.gz JUWIMOWOTINEJK-ROUUACIJSA-N 0 0 339.262 6.092 1 0 EKAFRN CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000027656705 212572301 /nfs/dbraw/zinc/57/23/01/212572301.db2.gz GAJVYAHRFQQYKV-QGZVFWFLSA-N 0 0 326.436 5.219 1 0 EKAFRN CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000027656707 202158731 /nfs/dbraw/zinc/15/87/31/202158731.db2.gz GAJVYAHRFQQYKV-KRWDZBQOSA-N 0 0 326.436 5.219 1 0 EKAFRN COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000027716836 212573852 /nfs/dbraw/zinc/57/38/52/212573852.db2.gz VDNHZANZWRQIMI-UHFFFAOYSA-N 0 0 344.389 5.558 1 0 EKAFRN Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000027718293 212573795 /nfs/dbraw/zinc/57/37/95/212573795.db2.gz LNMRMFNBFNYCEK-UHFFFAOYSA-N 0 0 328.390 5.858 1 0 EKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C/C=C/CCCF)cc1OC2(C)C ZINC000027751076 212576575 /nfs/dbraw/zinc/57/65/75/212576575.db2.gz YMYYGMHEAJZHFP-UUOJUMCQSA-N 0 0 344.470 5.852 1 0 EKAFRN CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1S[C@@H]1CCCC(=O)OC ZINC000027858877 202160828 /nfs/dbraw/zinc/16/08/28/202160828.db2.gz UVBQAJZBOBYZGD-KMRZADIASA-N 0 0 348.552 6.009 1 0 EKAFRN CC(=O)c1ccc2c(c1)C(C(C)C)=C(c1cccc(C(C)=O)c1)C2(C)C ZINC000027875097 202161185 /nfs/dbraw/zinc/16/11/85/202161185.db2.gz DXTUCICQXWFSDG-UHFFFAOYSA-N 0 0 346.470 5.950 1 0 EKAFRN Nc1sc2c(c1C(=O)c1ccc3c(c1)Cc1ccccc1-3)CCCC2 ZINC000027877405 212582609 /nfs/dbraw/zinc/58/26/09/212582609.db2.gz LXOPNDNNNAWFIF-UHFFFAOYSA-N 0 0 345.467 5.011 1 0 EKAFRN Cc1cc(C(=O)c2c(N)sc3c2CCC3)cc2ccc(Cl)cc12 ZINC000027899523 212583570 /nfs/dbraw/zinc/58/35/70/212583570.db2.gz FGRBNWKWOQZMPJ-UHFFFAOYSA-N 0 0 341.863 5.165 1 0 EKAFRN Fc1ccc([C@@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 ZINC000027992394 212593030 /nfs/dbraw/zinc/59/30/30/212593030.db2.gz MALCWMVQYCUXPR-LJQANCHMSA-N 0 0 338.426 6.091 1 0 EKAFRN Fc1ccc([C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 ZINC000027992399 212593172 /nfs/dbraw/zinc/59/31/72/212593172.db2.gz MALCWMVQYCUXPR-IBGZPJMESA-N 0 0 338.426 6.091 1 0 EKAFRN CSC[C@@H](Cc1ccccc1)Nc1nc2cc(C(C)C)ccc2o1 ZINC000028002189 212594371 /nfs/dbraw/zinc/59/43/71/212594371.db2.gz JBJSHBGKEHMLPA-QGZVFWFLSA-N 0 0 340.492 5.337 1 0 EKAFRN CCOc1c(C(C)C)cc2c(c1C(C)C)C=CC1(CCCCC1)N2 ZINC000028005904 202163674 /nfs/dbraw/zinc/16/36/74/202163674.db2.gz ONJFGQGEHGAQAA-UHFFFAOYSA-N 0 0 327.512 6.474 1 0 EKAFRN Cc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccncc3)nc2c1 ZINC000028007856 202164407 /nfs/dbraw/zinc/16/44/07/202164407.db2.gz VHNRJSBBLAHPRL-SFHVURJKSA-N 0 0 335.451 5.655 1 0 EKAFRN Cc1ccc2oc(N[C@H](CC3CCCCC3)c3ccncc3)nc2c1 ZINC000028007860 212595244 /nfs/dbraw/zinc/59/52/44/212595244.db2.gz VHNRJSBBLAHPRL-GOSISDBHSA-N 0 0 335.451 5.655 1 0 EKAFRN Cc1ccc2oc(N[C@H](CC3CCCCC3)c3cccnc3)nc2c1 ZINC000028007868 202164704 /nfs/dbraw/zinc/16/47/04/202164704.db2.gz XBLZSUJVDGECCV-GOSISDBHSA-N 0 0 335.451 5.655 1 0 EKAFRN Clc1ccc2oc(N[C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000028008660 212595112 /nfs/dbraw/zinc/59/51/12/212595112.db2.gz APXJQCOCLFLQST-SFHVURJKSA-N 0 0 348.833 5.877 1 0 EKAFRN c1ccc(C[C@@H](Nc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000028010614 212595556 /nfs/dbraw/zinc/59/55/56/212595556.db2.gz XTODZPGNUMVFKH-LJQANCHMSA-N 0 0 330.456 5.692 1 0 EKAFRN c1ccc(C[C@H](Nc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000028010619 212595191 /nfs/dbraw/zinc/59/51/91/212595191.db2.gz XTODZPGNUMVFKH-IBGZPJMESA-N 0 0 330.456 5.692 1 0 EKAFRN COc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 ZINC000028017185 202163866 /nfs/dbraw/zinc/16/38/66/202163866.db2.gz BXKSETGKBADRAP-DTQAZKPQSA-N 0 0 329.399 5.014 1 0 EKAFRN CN1c2ccccc2[C@H]2C=C(/C=C/c3ccc4ccccc4c3)C=C[C@H]21 ZINC000028114790 212600400 /nfs/dbraw/zinc/60/04/00/212600400.db2.gz ASCIXCTXNMXQCC-FGNPPGQTSA-N 0 0 335.450 5.951 1 0 EKAFRN CN1c2ccccc2[C@H]2C=C(/C=C\c3ccc4ccccc4c3)C=C[C@H]21 ZINC000028117138 212600468 /nfs/dbraw/zinc/60/04/68/212600468.db2.gz ASCIXCTXNMXQCC-HZBKBRKESA-N 0 0 335.450 5.951 1 0 EKAFRN COCCOc1cc(/C=C/c2ccc3ccccc3c2)ccc1OC ZINC000028117786 212600824 /nfs/dbraw/zinc/60/08/24/212600824.db2.gz UXUFVXFITSTOBW-BQYQJAHWSA-N 0 0 334.415 5.044 1 0 EKAFRN FCC(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000028219439 202166406 /nfs/dbraw/zinc/16/64/06/202166406.db2.gz DZLINHSYSBHLRA-UHFFFAOYSA-N 0 0 334.366 5.398 1 0 EKAFRN Fc1ccc(-c2nc(SC(F)F)[nH]c2-c2ccc(F)cc2)cc1 ZINC000028220522 202166864 /nfs/dbraw/zinc/16/68/64/202166864.db2.gz QJEDPMOEIBONLK-UHFFFAOYSA-N 0 0 338.329 5.337 1 0 EKAFRN CC(C)C[C@@H](c1cccc(O)c1)[C@@H](CC(C)C)c1cccc(O)c1 ZINC000028223274 202166726 /nfs/dbraw/zinc/16/67/26/202166726.db2.gz ODHGVCQLDXSHQR-VXKWHMMOSA-N 0 0 326.480 6.057 1 0 EKAFRN CC(C)C[C@H](c1cccc(O)c1)[C@H](CC(C)C)c1cccc(O)c1 ZINC000028223279 212605654 /nfs/dbraw/zinc/60/56/54/212605654.db2.gz ODHGVCQLDXSHQR-FGZHOGPDSA-N 0 0 326.480 6.057 1 0 EKAFRN Cc1ccc([C@@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 ZINC000028234223 202168319 /nfs/dbraw/zinc/16/83/19/202168319.db2.gz GDTOFSFBQOMDHZ-NRFANRHFSA-N 0 0 347.849 5.273 1 0 EKAFRN c1cn([C@@H](c2c[nH]cc2-c2ccccc2)c2ccc3ccccc3c2)cn1 ZINC000028235299 202168362 /nfs/dbraw/zinc/16/83/62/202168362.db2.gz VMJGAPOOJSJRLS-XMMPIXPASA-N 0 0 349.437 5.669 1 0 EKAFRN c1cn([C@H](c2c[nH]cc2-c2ccccc2)c2ccc3ccccc3c2)cn1 ZINC000028235304 202167780 /nfs/dbraw/zinc/16/77/80/202167780.db2.gz VMJGAPOOJSJRLS-DEOSSOPVSA-N 0 0 349.437 5.669 1 0 EKAFRN COC(=O)c1ccc(/C=C(C)\C=C\[C@@]23C[C@]2(C)CCCC3(C)C)cc1 ZINC000028235729 202167627 /nfs/dbraw/zinc/16/76/27/202167627.db2.gz IBEMBIRFSWLHPM-ONCQBMHBSA-N 0 0 338.491 6.039 1 0 EKAFRN CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/[C@]12C[C@@]1(C)CCCC2(C)C ZINC000028235813 212608833 /nfs/dbraw/zinc/60/88/33/212608833.db2.gz ZQAZXAXJQNKOAF-IXYVDULASA-N 0 0 342.523 6.161 1 0 EKAFRN COc1ccc([C@@H](Cc2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000028236614 202167565 /nfs/dbraw/zinc/16/75/65/202167565.db2.gz XEBCLRDNKDPMCD-GOSISDBHSA-N 0 0 347.245 5.031 1 0 EKAFRN CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 ZINC000028255013 202167699 /nfs/dbraw/zinc/16/76/99/202167699.db2.gz NNNMYIGJZDQYQT-UHFFFAOYSA-N 0 0 334.250 5.212 1 0 EKAFRN CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)sc(C)c1C ZINC000028257558 202168089 /nfs/dbraw/zinc/16/80/89/202168089.db2.gz GUCYIHJFKKNILU-OUBJIBONSA-N 0 0 330.493 5.698 1 0 EKAFRN CC(C)(C)NC(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 ZINC000028330725 202169532 /nfs/dbraw/zinc/16/95/32/202169532.db2.gz PHWAQCJKEIKNQE-UHFFFAOYSA-N 0 0 338.838 5.084 1 0 EKAFRN CCCCC[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@@H]2CCC3=CC(=O)CCC3=C12 ZINC000028386693 581093497 /nfs/dbraw/zinc/09/34/97/581093497.db2.gz IZUMHFDUSAWWQU-QRDGOAKLSA-N 0 0 342.523 5.360 1 0 EKAFRN CCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCC3=CC(=O)CCC3=C21 ZINC000028386698 581093475 /nfs/dbraw/zinc/09/34/75/581093475.db2.gz IZUMHFDUSAWWQU-XNQPPGSRSA-N 0 0 342.523 5.360 1 0 EKAFRN CCCCC[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@H]2CCC3=CC(=O)CCC3=C21 ZINC000028386704 581093412 /nfs/dbraw/zinc/09/34/12/581093412.db2.gz IZUMHFDUSAWWQU-RTRNUXGRSA-N 0 0 342.523 5.360 1 0 EKAFRN CCCCCC/C(=C\c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000028390273 202170488 /nfs/dbraw/zinc/17/04/88/202170488.db2.gz KLEINUAKRSRGRN-LVZFUZTISA-N 0 0 342.504 5.601 1 0 EKAFRN Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCCCC2)s1 ZINC000028395235 212617736 /nfs/dbraw/zinc/61/77/36/212617736.db2.gz WQYLFRWHITYOSB-UHFFFAOYSA-N 0 0 349.887 5.102 1 0 EKAFRN Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1 ZINC000028456222 581092918 /nfs/dbraw/zinc/09/29/18/581092918.db2.gz RULZSIQMRFGMKN-UHFFFAOYSA-N 0 0 343.839 5.101 1 0 EKAFRN CC(C)(CO)CCCCCCC(=O)CCCCCCC(C)(C)CO ZINC000028458019 202171289 /nfs/dbraw/zinc/17/12/89/202171289.db2.gz HCAHNSOHEXNCTF-UHFFFAOYSA-N 0 0 342.564 5.274 1 0 EKAFRN COc1cc2ccccc2cc1-c1ccc2c(c1)Cc1sc(N)nc1-2 ZINC000028465295 202171330 /nfs/dbraw/zinc/17/13/30/202171330.db2.gz MRQUBQSECMVJFJ-UHFFFAOYSA-N 0 0 344.439 5.125 1 0 EKAFRN Nc1nc2c(s1)Cc1cc(-c3ccccc3-c3cccs3)ccc1-2 ZINC000028471079 212620873 /nfs/dbraw/zinc/62/08/73/212620873.db2.gz PEROGZHSZDFOFK-UHFFFAOYSA-N 0 0 346.480 5.692 1 0 EKAFRN Nc1nc2c(s1)Cc1cc(-c3cccc(-c4cccs4)c3)ccc1-2 ZINC000028474242 202171544 /nfs/dbraw/zinc/17/15/44/202171544.db2.gz XRVIGCFTTUQVEY-UHFFFAOYSA-N 0 0 346.480 5.692 1 0 EKAFRN c1c(-c2ccc(-c3ccccc3)cc2)nc2sc3c(n12)CCCC3 ZINC000028525549 212622849 /nfs/dbraw/zinc/62/28/49/212622849.db2.gz QACOHSHSSRYUSU-UHFFFAOYSA-N 0 0 330.456 5.609 1 0 EKAFRN Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1 ZINC000028526230 202172542 /nfs/dbraw/zinc/17/25/42/202172542.db2.gz MYJNCCMUFZBCJX-UHFFFAOYSA-N 0 0 331.346 5.119 1 0 EKAFRN CCCCC/C=C/C/C=C\C=C\C=C\[C@@H]1C[C@H]1CCCC(=O)OC ZINC000028526772 212623402 /nfs/dbraw/zinc/62/34/02/212623402.db2.gz FIVTZIDMRMUBFM-OSMPXFNRSA-N 0 0 330.512 6.161 1 0 EKAFRN Fc1ccc(N2C[C@H](CCCc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000028527758 202172471 /nfs/dbraw/zinc/17/24/71/202172471.db2.gz RUXMLHRTQHYPEV-XUZZJYLKSA-N 0 0 345.461 6.026 1 0 EKAFRN COc1cc(-c2coc3ccc4ccccc4c23)cc(OC)c1OC ZINC000028570692 212626079 /nfs/dbraw/zinc/62/60/79/212626079.db2.gz BFCCHIXOZBHHAD-UHFFFAOYSA-N 0 0 334.371 5.279 1 0 EKAFRN CSc1ccc(-c2ccc(-c3ccc(SC)cc3)s2)cc1 ZINC000028571232 202172899 /nfs/dbraw/zinc/17/28/99/202172899.db2.gz VNGZQUWRJLZOTD-UHFFFAOYSA-N 0 0 328.527 6.526 1 0 EKAFRN CC(C)(C)C1=NN(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000028572016 202173272 /nfs/dbraw/zinc/17/32/72/202173272.db2.gz KIIGWQOSLMNQHN-KRWDZBQOSA-N 0 0 340.854 5.329 1 0 EKAFRN F[C@H]1CCc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc21 ZINC000028572352 212626065 /nfs/dbraw/zinc/62/60/65/212626065.db2.gz AOVZEJRHIVGBCA-JTQLQIEISA-N 0 0 339.119 5.155 1 0 EKAFRN C1C2CC3CC1CC(c1nnc(C45CC6CC(CC(C6)C4)C5)o1)(C2)C3 ZINC000028654827 202174086 /nfs/dbraw/zinc/17/40/86/202174086.db2.gz HWGAFZNFSGNHQU-UHFFFAOYSA-N 0 0 338.495 5.005 1 0 EKAFRN CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CCc4cocc4[C@]3(C)CC[C@H]21 ZINC000028701983 212632161 /nfs/dbraw/zinc/63/21/61/212632161.db2.gz PGTLDPKTOGVCIU-CUUWFGFTSA-N 0 0 344.495 5.269 1 0 EKAFRN O=C1NC(=S)SC1=Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000028703291 202175971 /nfs/dbraw/zinc/17/59/71/202175971.db2.gz IYDYEBIGANNFTO-NTEUORMPSA-N 0 0 347.848 5.461 1 0 EKAFRN O=C(c1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000028710783 212632976 /nfs/dbraw/zinc/63/29/76/212632976.db2.gz YIMAPKQPIVRUGO-UHFFFAOYSA-N 0 0 345.423 5.106 1 0 EKAFRN Cc1cc(CCCOc2c(C)cc(-c3ccc(C)c(C)c3)cc2C)on1 ZINC000028711019 202174970 /nfs/dbraw/zinc/17/49/70/202174970.db2.gz DDAKZNBHTBXFDP-UHFFFAOYSA-N 0 0 349.474 5.895 1 0 EKAFRN Cc1cc(CCCOc2c(C)cc(-c3ccc(C=O)cc3)cc2C)on1 ZINC000028711026 212632533 /nfs/dbraw/zinc/63/25/33/212632533.db2.gz YWMFFDZYTGSLRT-UHFFFAOYSA-N 0 0 349.430 5.091 1 0 EKAFRN CC1=C(/C=C/c2cc(Nc3ccccc3)nc(N)n2)C(C)(C)CCC1 ZINC000028712584 202175331 /nfs/dbraw/zinc/17/53/31/202175331.db2.gz NEUBZEYVNROGOW-VAWYXSNFSA-N 0 0 334.467 5.342 1 0 EKAFRN CC1=C(/C=C/c2cc(NC3CCCCC3)nc(N)n2)C(C)(C)CCC1 ZINC000028712593 202175981 /nfs/dbraw/zinc/17/59/81/202175981.db2.gz NJLDEOKPDJOOLF-VAWYXSNFSA-N 0 0 340.515 5.343 1 0 EKAFRN CCOC(=O)c1ccc(/C=C(C)\C=C\C2=C(C)CCCC2(C)C)s1 ZINC000028756190 212633761 /nfs/dbraw/zinc/63/37/61/212633761.db2.gz PXVBTZKLLWIINF-VDRCGHCRSA-N 0 0 344.520 6.411 1 0 EKAFRN CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)s1 ZINC000028756524 212633957 /nfs/dbraw/zinc/63/39/57/212633957.db2.gz PXVBTZKLLWIINF-KYUUQUQASA-N 0 0 344.520 6.411 1 0 EKAFRN CCCCC(=O)[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 ZINC000028756888 212634100 /nfs/dbraw/zinc/63/41/00/212634100.db2.gz OMROHXFTMGIMJK-CTNGQTDRSA-N 0 0 326.436 5.135 1 0 EKAFRN CCCCC(=O)C[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 ZINC000028757308 202176641 /nfs/dbraw/zinc/17/66/41/202176641.db2.gz SFUGXCOLPJWSGY-YADHBBJMSA-N 0 0 340.463 5.525 1 0 EKAFRN Fc1ccc2c(c1)[nH]cc2[C@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@H]21 ZINC000028759285 202176330 /nfs/dbraw/zinc/17/63/30/202176330.db2.gz VDFDUOXSAPLVNO-AGRHKRQWSA-N 0 0 342.801 5.205 1 0 EKAFRN Fc1ccc2c(c1)[nH]cc2[C@@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@H]21 ZINC000028760974 212635519 /nfs/dbraw/zinc/63/55/19/212635519.db2.gz VDFDUOXSAPLVNO-BKTGTZMESA-N 0 0 342.801 5.205 1 0 EKAFRN C/C=C(\c1ccccc1O[C@@H](C)c1cccc(Cl)c1)n1ccnc1 ZINC000028764670 202177123 /nfs/dbraw/zinc/17/71/23/202177123.db2.gz BOLHNCIMSMWFJJ-PYCWZYRLSA-N 0 0 338.838 5.586 1 0 EKAFRN C=C(c1cc(Cl)cc(Cl)c1OCc1ccccc1)n1ccnc1 ZINC000028765452 202176693 /nfs/dbraw/zinc/17/66/93/202176693.db2.gz RQBXVFNJQXEVFE-UHFFFAOYSA-N 0 0 345.229 5.288 1 0 EKAFRN C=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 ZINC000028765454 202176958 /nfs/dbraw/zinc/17/69/58/202176958.db2.gz LHPFIAPAKBTEHF-UHFFFAOYSA-N 0 0 345.229 5.288 1 0 EKAFRN C=C(c1cc(Cl)ccc1O[C@H](CC)c1ccccc1)n1ccnc1 ZINC000028765479 202176577 /nfs/dbraw/zinc/17/65/77/202176577.db2.gz HBDSKKLCLAQAKJ-LJQANCHMSA-N 0 0 338.838 5.586 1 0 EKAFRN C=C(c1cc(Cl)ccc1O[C@@H](C)c1ccsc1)n1ccnc1 ZINC000028765557 202176719 /nfs/dbraw/zinc/17/67/19/202176719.db2.gz BKCFQJSFDAFXNM-ZDUSSCGKSA-N 0 0 330.840 5.257 1 0 EKAFRN Cc1c2cc(O)ccc2n(Cc2ccccc2)c1-c1ccc(O)cc1 ZINC000028765828 202176914 /nfs/dbraw/zinc/17/69/14/202176914.db2.gz FDCMNYZVJSJZHF-UHFFFAOYSA-N 0 0 329.399 5.076 1 0 EKAFRN Clc1ccc(C(Cl)(c2ccc(Cl)cc2)c2cncnc2)cc1 ZINC000028766095 212634890 /nfs/dbraw/zinc/63/48/90/212634890.db2.gz KDFBFPOGRBLGMY-UHFFFAOYSA-N 0 0 349.648 5.314 1 0 EKAFRN CCC(CC)=C(c1cc(Cl)ccc1OCCC(C)C)n1cncn1 ZINC000028766464 202176422 /nfs/dbraw/zinc/17/64/22/202176422.db2.gz OICFIAHUERVQCT-UHFFFAOYSA-N 0 0 347.890 5.436 1 0 EKAFRN Cc1c2cc(O)ccc2n(Cc2ccccc2)c1-c1cccc(O)c1 ZINC000028766997 212634771 /nfs/dbraw/zinc/63/47/71/212634771.db2.gz JWHBIXGFRIDAPD-UHFFFAOYSA-N 0 0 329.399 5.076 1 0 EKAFRN Cc1c2cc(O)ccc2n(Cc2ccc(C)cc2)c1-c1ccc(O)cc1 ZINC000028767074 212635454 /nfs/dbraw/zinc/63/54/54/212635454.db2.gz LDCQDPUSQNMDED-UHFFFAOYSA-N 0 0 343.426 5.385 1 0 EKAFRN Cc1c2cc(O)ccc2n(Cc2cccc(C)c2)c1-c1ccc(O)cc1 ZINC000028768710 202176464 /nfs/dbraw/zinc/17/64/64/202176464.db2.gz CTHAWFCXJKHCAE-UHFFFAOYSA-N 0 0 343.426 5.385 1 0 EKAFRN CCc1c(C)[nH]c(=O)c(-c2ccsc2)c1Oc1cc(C)cc(C)c1 ZINC000028818724 202177790 /nfs/dbraw/zinc/17/77/90/202177790.db2.gz FCXCFZYUEUVNAK-UHFFFAOYSA-N 0 0 339.460 5.383 1 0 EKAFRN CCCCc1c(C)c(O)c(CCCC)c(CCCC)c1CCCC ZINC000028821159 202177521 /nfs/dbraw/zinc/17/75/21/202177521.db2.gz BRLKQGKVHGJGTM-UHFFFAOYSA-N 0 0 332.572 7.071 1 0 EKAFRN CCCCC/C=C/c1cc(F)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000028821725 202177699 /nfs/dbraw/zinc/17/76/99/202177699.db2.gz PVCMGYHOKLVFKF-BGGMYYEUSA-N 0 0 342.498 7.030 1 0 EKAFRN Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC000028824785 202177604 /nfs/dbraw/zinc/17/76/04/202177604.db2.gz ADHZHPOKTRHZGT-HACGYAERSA-N 0 0 347.384 5.071 1 0 EKAFRN Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(Nc2ccccc2)n1 ZINC000028824789 212639081 /nfs/dbraw/zinc/63/90/81/212639081.db2.gz JMSIJLPYNMYLMV-UHFFFAOYSA-N 0 0 329.325 5.214 1 0 EKAFRN Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NCc2ccccc2)n1 ZINC000028824790 202177864 /nfs/dbraw/zinc/17/78/64/202177864.db2.gz VFZYRKLFGSVMIF-UHFFFAOYSA-N 0 0 343.352 5.083 1 0 EKAFRN CC[C@H](C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000028826840 135741784 /nfs/dbraw/zinc/74/17/84/135741784.db2.gz LASZSIUHSRRUPB-KRWDZBQOSA-N 0 0 345.467 6.010 1 0 in-vivo EKAFRN O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000028826844 135741563 /nfs/dbraw/zinc/74/15/63/135741563.db2.gz IDGMQHJPMVCZGQ-UHFFFAOYSA-N 0 0 345.467 5.839 1 0 in-vivo EKAFRN CCCCCn1ccc2c1ccc1[nH]c(-c3ccccc3)cc(=O)c21 ZINC000028863686 212640843 /nfs/dbraw/zinc/64/08/43/212640843.db2.gz ZWEXCFHQOXSQKR-UHFFFAOYSA-N 0 0 330.431 5.340 1 0 EKAFRN Fc1ccc(-c2ccc3[nH]c(=S)n(C4CCCC4)c3c2)cc1Cl ZINC000028868988 212641143 /nfs/dbraw/zinc/64/11/43/212641143.db2.gz FIWISAQRLDBRMJ-UHFFFAOYSA-N 0 0 346.858 6.273 1 0 EKAFRN CC1(C)C=Cc2cc3oc4ccccc4c3c(Br)c2O1 ZINC000028873322 202179130 /nfs/dbraw/zinc/17/91/30/202179130.db2.gz LXFNWSUZRCWDPB-UHFFFAOYSA-N 0 0 329.193 5.533 1 0 EKAFRN CCc1ncnc(N[C@@H](C)c2sc3ccccc3c2C)c1Cl ZINC000028887630 202179196 /nfs/dbraw/zinc/17/91/96/202179196.db2.gz YPHINIOBFXDVIR-NSHDSACASA-N 0 0 331.872 5.389 1 0 EKAFRN CCc1ncnc(N[C@H](CC)c2ccc(C(C)(C)C)cc2)c1Cl ZINC000028887668 202178495 /nfs/dbraw/zinc/17/84/95/202178495.db2.gz HHTYSFWEEDSZRU-OAHLLOKOSA-N 0 0 331.891 5.553 1 0 EKAFRN CCc1ncnc(N[C@@H](CC)c2ccc(C(C)(C)C)cc2)c1Cl ZINC000028887672 202178295 /nfs/dbraw/zinc/17/82/95/202178295.db2.gz HHTYSFWEEDSZRU-HNNXBMFYSA-N 0 0 331.891 5.553 1 0 EKAFRN CCCCCCn1cc(CC(N)=O)c2cc(-c3ccc(C)cc3)ccc21 ZINC000028888225 202179110 /nfs/dbraw/zinc/17/91/10/202179110.db2.gz LVPBBTPBCURDJI-UHFFFAOYSA-N 0 0 348.490 5.225 1 0 EKAFRN CCOC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)cc1 ZINC000028890584 212643309 /nfs/dbraw/zinc/64/33/09/212643309.db2.gz XMTKXJVRGWGALO-IJANBFSMSA-N 0 0 328.452 5.334 1 0 EKAFRN CCCCCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2C ZINC000028955678 202179659 /nfs/dbraw/zinc/17/96/59/202179659.db2.gz OTZPRHFXLZVDOV-JOCHJYFZSA-N 0 0 347.458 5.124 1 0 EKAFRN CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000028956464 202179402 /nfs/dbraw/zinc/17/94/02/202179402.db2.gz PFFYWNMZERFXAN-UHFFFAOYSA-N 0 0 341.838 5.387 1 0 EKAFRN O=C(OCC(F)(F)F)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000028957313 202179522 /nfs/dbraw/zinc/17/95/22/202179522.db2.gz RLZDYYKLMOPCMU-UHFFFAOYSA-N 0 0 339.140 5.036 1 0 EKAFRN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2)o1 ZINC000028960853 135742704 /nfs/dbraw/zinc/74/27/04/135742704.db2.gz DFNUJFUIJZWMGJ-UHFFFAOYSA-N 0 0 346.430 5.189 1 0 EKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCC(C)C)cc1OC2(C)C ZINC000028965852 212647546 /nfs/dbraw/zinc/64/75/46/212647546.db2.gz NVOPEPXNFPWHIE-QZTJIDSGSA-N 0 0 328.496 5.982 1 0 EKAFRN CCCCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1 ZINC000028972191 212647418 /nfs/dbraw/zinc/64/74/18/212647418.db2.gz LQLSZSURMCEKFF-HZJYTTRNSA-N 0 0 344.539 7.064 1 0 biogenic,in-vitro EKAFRN Cc1cccc(N(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000028972813 212647426 /nfs/dbraw/zinc/64/74/26/212647426.db2.gz MIJSDLWKDQTMIZ-UHFFFAOYSA-N 0 0 325.795 5.185 1 0 EKAFRN COc1ccc2cc(-c3ccc(F)cc3)ccc2c1-c1cccnc1 ZINC000028979129 212648094 /nfs/dbraw/zinc/64/80/94/212648094.db2.gz XPPJOWASCORDDG-UHFFFAOYSA-N 0 0 329.374 5.717 1 0 EKAFRN CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3)cc2s1 ZINC000029041772 202179987 /nfs/dbraw/zinc/17/99/87/202179987.db2.gz ONJXQDAGAHGGJM-UHFFFAOYSA-N 0 0 335.432 5.439 1 0 EKAFRN CC(C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3)cc2s1 ZINC000029041774 212649416 /nfs/dbraw/zinc/64/94/16/212649416.db2.gz GRXSGJRDNFZOCC-UHFFFAOYSA-N 0 0 334.448 5.174 1 0 EKAFRN Cc1cccc(-n2nccc2-c2ccc3nc(NC(C)C)sc3c2)c1 ZINC000029041778 202180858 /nfs/dbraw/zinc/18/08/58/202180858.db2.gz XKCUHSVXJMGDKR-UHFFFAOYSA-N 0 0 348.475 5.278 1 0 EKAFRN Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@H]2C ZINC000029043573 581092560 /nfs/dbraw/zinc/09/25/60/581092560.db2.gz FFFOIRSYFQWGQH-CYBMUJFWSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C ZINC000029043575 581092488 /nfs/dbraw/zinc/09/24/88/581092488.db2.gz FFFOIRSYFQWGQH-ZDUSSCGKSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2cccc3cc[nH]c32)c(Cl)c2c1NC(C)(C)C[C@H]2C ZINC000029043577 581092510 /nfs/dbraw/zinc/09/25/10/581092510.db2.gz ZAINQQRFGATLID-CYBMUJFWSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2cccc3cc[nH]c32)c(Cl)c2c1NC(C)(C)C[C@@H]2C ZINC000029043579 202180728 /nfs/dbraw/zinc/18/07/28/202180728.db2.gz ZAINQQRFGATLID-ZDUSSCGKSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2cccc3[nH]ccc32)c(Cl)c2c1NC(C)(C)C[C@H]2C ZINC000029043581 581092538 /nfs/dbraw/zinc/09/25/38/581092538.db2.gz KAFURNBTIHQXCB-CYBMUJFWSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2cccc3[nH]ccc32)c(Cl)c2c1NC(C)(C)C[C@@H]2C ZINC000029043583 581092597 /nfs/dbraw/zinc/09/25/97/581092597.db2.gz KAFURNBTIHQXCB-ZDUSSCGKSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2c[nH]c3ccccc32)c(Cl)c2c1NC(C)(C)C[C@H]2C ZINC000029043638 581092526 /nfs/dbraw/zinc/09/25/26/581092526.db2.gz PFUXODWITQFWRK-CYBMUJFWSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2c[nH]c3ccccc32)c(Cl)c2c1NC(C)(C)C[C@@H]2C ZINC000029043640 202180825 /nfs/dbraw/zinc/18/08/25/202180825.db2.gz PFUXODWITQFWRK-ZDUSSCGKSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@H]2C ZINC000029043646 581092543 /nfs/dbraw/zinc/09/25/43/581092543.db2.gz GVCONUYHNJTACG-CYBMUJFWSA-N 0 0 338.882 6.494 1 0 EKAFRN Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@@H]2C ZINC000029043647 581092604 /nfs/dbraw/zinc/09/26/04/581092604.db2.gz GVCONUYHNJTACG-ZDUSSCGKSA-N 0 0 338.882 6.494 1 0 EKAFRN CCCCCCC1=Cc2ncnc(N)c2[C@](C)(CCCCCC)C1 ZINC000029045705 212649389 /nfs/dbraw/zinc/64/93/89/212649389.db2.gz WMCWIKUCGJJFBD-OAQYLSRUSA-N 0 0 329.532 6.044 1 0 EKAFRN O=C(Nc1cnc2ccccc2c1)c1ccc(NC2CCCCC2)cc1 ZINC000029051512 212650271 /nfs/dbraw/zinc/65/02/71/212650271.db2.gz SWEAAERORIFOIX-UHFFFAOYSA-N 0 0 345.446 5.232 1 0 in-vivo EKAFRN Cc1cccc(-c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2)c1 ZINC000029061110 202180619 /nfs/dbraw/zinc/18/06/19/202180619.db2.gz GFJKNHKOZLFIJW-UHFFFAOYSA-N 0 0 345.225 6.467 1 0 in-vivo EKAFRN Oc1cc(-c2ccc(F)cc2)ccc1Oc1ccc(Cl)cc1Cl ZINC000029061114 202180929 /nfs/dbraw/zinc/18/09/29/202180929.db2.gz LFNMTUYVBXAAKI-UHFFFAOYSA-N 0 0 349.188 6.297 1 0 in-vivo EKAFRN CC[C@H](C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 ZINC000029061410 202180343 /nfs/dbraw/zinc/18/03/43/202180343.db2.gz LHFFQFRAOUEGEB-NSHDSACASA-N 0 0 325.235 6.080 1 0 in-vivo EKAFRN CCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1 ZINC000029123813 202181481 /nfs/dbraw/zinc/18/14/81/202181481.db2.gz 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347.245 5.400 1 0 EKAFRN Clc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 ZINC000040862233 213394250 /nfs/dbraw/zinc/39/42/50/213394250.db2.gz AZGVHXKCDAYGAE-GOSISDBHSA-N 0 0 347.245 5.400 1 0 EKAFRN Clc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 ZINC000040862235 213394708 /nfs/dbraw/zinc/39/47/08/213394708.db2.gz AZGVHXKCDAYGAE-SFHVURJKSA-N 0 0 347.245 5.400 1 0 EKAFRN Cc1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 ZINC000040862237 213395282 /nfs/dbraw/zinc/39/52/82/213395282.db2.gz RZZQWNYDNUYYFB-IBGZPJMESA-N 0 0 326.827 5.055 1 0 EKAFRN Cc1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 ZINC000040862239 213394611 /nfs/dbraw/zinc/39/46/11/213394611.db2.gz RZZQWNYDNUYYFB-LJQANCHMSA-N 0 0 326.827 5.055 1 0 EKAFRN CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1cc(O)c(C)cc1O ZINC000040863541 213394966 /nfs/dbraw/zinc/39/49/66/213394966.db2.gz WMICYZWXGIMHIB-NGEVDRGDSA-N 0 0 328.496 6.368 1 0 EKAFRN O=C(Nc1cc(Nc2ccccc2)nc2ccccc21)C1CCCC1 ZINC000040864916 213395378 /nfs/dbraw/zinc/39/53/78/213395378.db2.gz 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CHWPGQPIBOVNNP-UHFFFAOYSA-N 0 0 347.368 5.627 1 0 EKAFRN Cc1cccc(Nc2nc(-c3ccncc3-c3ccccc3)cs2)c1 ZINC000072113249 216011376 /nfs/dbraw/zinc/01/13/76/216011376.db2.gz LDVOXXSNAQINOP-UHFFFAOYSA-N 0 0 343.455 5.924 1 0 EKAFRN O=C(Nc1cccc(C(F)(F)F)c1F)NC1CCCCCCC1 ZINC000072113257 216011018 /nfs/dbraw/zinc/01/10/18/216011018.db2.gz BLWMUNNMBMWCKD-UHFFFAOYSA-N 0 0 332.341 5.079 1 0 EKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(-c3ccccc3)no1)O2 ZINC000072113586 216011592 /nfs/dbraw/zinc/01/15/92/216011592.db2.gz PHBWTVHFQHQPIU-QFIPXVFZSA-N 0 0 349.430 5.213 1 0 EKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(-c3ccccc3)no1)O2 ZINC000072113587 203162617 /nfs/dbraw/zinc/16/26/17/203162617.db2.gz PHBWTVHFQHQPIU-JOCHJYFZSA-N 0 0 349.430 5.213 1 0 EKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(-c3ccccc3)on1)O2 ZINC000072113657 216011350 /nfs/dbraw/zinc/01/13/50/216011350.db2.gz WKWVGODTOHNLJK-QFIPXVFZSA-N 0 0 349.430 5.213 1 0 EKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(-c3ccccc3)on1)O2 ZINC000072113658 203163070 /nfs/dbraw/zinc/16/30/70/203163070.db2.gz WKWVGODTOHNLJK-JOCHJYFZSA-N 0 0 349.430 5.213 1 0 EKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cc(C3CCCC3)on1)O2 ZINC000072113661 216011167 /nfs/dbraw/zinc/01/11/67/216011167.db2.gz GDPIGYVLDVIRMP-NRFANRHFSA-N 0 0 341.451 5.203 1 0 EKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(C3CCCC3)on1)O2 ZINC000072113662 203162712 /nfs/dbraw/zinc/16/27/12/203162712.db2.gz GDPIGYVLDVIRMP-OAQYLSRUSA-N 0 0 341.451 5.203 1 0 EKAFRN Oc1ccccc1Nc1nc(-c2cccc(F)c2)nc2ccc(F)cc21 ZINC000072114357 203163717 /nfs/dbraw/zinc/16/37/17/203163717.db2.gz LNPDCWSVFDPRPD-UHFFFAOYSA-N 0 0 349.340 5.024 1 0 EKAFRN Oc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc32)cc1 ZINC000072114612 203163905 /nfs/dbraw/zinc/16/39/05/203163905.db2.gz DFCAFWVCQZVLLU-UHFFFAOYSA-N 0 0 349.340 5.024 1 0 EKAFRN Oc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc32)c1 ZINC000072114613 216011778 /nfs/dbraw/zinc/01/17/78/216011778.db2.gz RGCNNZXIHOUMOQ-UHFFFAOYSA-N 0 0 349.340 5.024 1 0 EKAFRN Cc1cccc(Nc2nc(-c3ccncc3-c3ccncc3)cs2)c1 ZINC000072114816 216011484 /nfs/dbraw/zinc/01/14/84/216011484.db2.gz YXZSZYUXOONMIG-UHFFFAOYSA-N 0 0 344.443 5.319 1 0 EKAFRN CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)no1 ZINC000072114866 203164141 /nfs/dbraw/zinc/16/41/41/203164141.db2.gz YCMKHVBGZOIYLM-UHFFFAOYSA-N 0 0 342.483 5.093 1 0 EKAFRN Clc1ccccc1[C@@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 ZINC000072115068 216011668 /nfs/dbraw/zinc/01/16/68/216011668.db2.gz NEBRHWAKJHWZMO-NRFANRHFSA-N 0 0 349.865 5.139 1 0 EKAFRN Clc1ccccc1[C@H]1CC(c2ccc3[nH]c4c(c3c2)CCCC4)=NN1 ZINC000072115069 216011277 /nfs/dbraw/zinc/01/12/77/216011277.db2.gz NEBRHWAKJHWZMO-OAQYLSRUSA-N 0 0 349.865 5.139 1 0 EKAFRN Clc1cccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)c1 ZINC000072115070 216011356 /nfs/dbraw/zinc/01/13/56/216011356.db2.gz HWWHKICIRJKDOX-FQEVSTJZSA-N 0 0 349.865 5.139 1 0 EKAFRN Clc1cccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)c1 ZINC000072115071 216011673 /nfs/dbraw/zinc/01/16/73/216011673.db2.gz HWWHKICIRJKDOX-HXUWFJFHSA-N 0 0 349.865 5.139 1 0 EKAFRN Clc1ccc([C@@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 ZINC000072115072 203164288 /nfs/dbraw/zinc/16/42/88/203164288.db2.gz CBJMFRKVUQRZMQ-FQEVSTJZSA-N 0 0 349.865 5.139 1 0 EKAFRN Clc1ccc([C@H]2CC(c3ccc4[nH]c5c(c4c3)CCCC5)=NN2)cc1 ZINC000072115073 216011028 /nfs/dbraw/zinc/01/10/28/216011028.db2.gz CBJMFRKVUQRZMQ-HXUWFJFHSA-N 0 0 349.865 5.139 1 0 EKAFRN Fc1cccc(-c2nc3ccc(F)cc3c(Nc3ccccc3)n2)c1 ZINC000072116430 216012250 /nfs/dbraw/zinc/01/22/50/216012250.db2.gz YHOWHFOIYIUABT-UHFFFAOYSA-N 0 0 333.341 5.319 1 0 EKAFRN Cc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc32)cc1 ZINC000072116549 216012367 /nfs/dbraw/zinc/01/23/67/216012367.db2.gz SIQGRWHNRYWQAS-UHFFFAOYSA-N 0 0 347.368 5.627 1 0 EKAFRN Cc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc32)c1 ZINC000072116550 216012788 /nfs/dbraw/zinc/01/27/88/216012788.db2.gz LNZMJRMBZUDXQP-UHFFFAOYSA-N 0 0 347.368 5.627 1 0 EKAFRN Fc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000072118019 216012075 /nfs/dbraw/zinc/01/20/75/216012075.db2.gz FFFGVWHJHXRJHI-UHFFFAOYSA-N 0 0 338.329 5.712 1 0 EKAFRN C[C@]1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1 ZINC000072118765 203164129 /nfs/dbraw/zinc/16/41/29/203164129.db2.gz PMNFSAGLIMRJAD-HSZRJFAPSA-N 0 0 343.426 5.616 1 0 EKAFRN C[C@@]1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1 ZINC000072118766 203163754 /nfs/dbraw/zinc/16/37/54/203163754.db2.gz PMNFSAGLIMRJAD-QHCPKHFHSA-N 0 0 343.426 5.616 1 0 EKAFRN CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)on1 ZINC000072119027 203164170 /nfs/dbraw/zinc/16/41/70/203164170.db2.gz VWCNTMRMMCMZRA-UHFFFAOYSA-N 0 0 328.456 5.164 1 0 EKAFRN CCCCCN(CCCCC)C(=O)c1cc(-c2ccccc2)no1 ZINC000072119623 203163688 /nfs/dbraw/zinc/16/36/88/203163688.db2.gz BIKKIFJQWFNADP-UHFFFAOYSA-N 0 0 328.456 5.164 1 0 EKAFRN CCCCCN(CCCCC)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000072120335 216013957 /nfs/dbraw/zinc/01/39/57/216013957.db2.gz NEUFNGGUDGNSMD-UHFFFAOYSA-N 0 0 342.483 5.093 1 0 EKAFRN Clc1cccc(CSc2ccc(-c3ccccn3)nn2)c1Cl ZINC000072122800 203163412 /nfs/dbraw/zinc/16/34/12/203163412.db2.gz HIEGEQMCQJFCSD-UHFFFAOYSA-N 0 0 348.258 5.138 1 0 EKAFRN Clc1ccc(Cl)c(CSc2ccc(-c3ccccn3)nn2)c1 ZINC000072123372 216014652 /nfs/dbraw/zinc/01/46/52/216014652.db2.gz JWRRUOFRPHVEHM-UHFFFAOYSA-N 0 0 348.258 5.138 1 0 EKAFRN Clc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1 ZINC000072124336 216016614 /nfs/dbraw/zinc/01/66/14/216016614.db2.gz VYBFDRKPRDWXQU-UHFFFAOYSA-N 0 0 348.258 5.138 1 0 EKAFRN C[C@H](Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl ZINC000072125173 203165225 /nfs/dbraw/zinc/16/52/25/203165225.db2.gz HKWBSSPPZCQEOJ-NSHDSACASA-N 0 0 345.830 5.184 1 0 EKAFRN C[C@@H](Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl ZINC000072125174 203165639 /nfs/dbraw/zinc/16/56/39/203165639.db2.gz HKWBSSPPZCQEOJ-LLVKDONJSA-N 0 0 345.830 5.184 1 0 EKAFRN COc1ccccc1N(C)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2C1 ZINC000072134117 216023668 /nfs/dbraw/zinc/02/36/68/216023668.db2.gz NINITLSHUAPIHQ-LSDHHAIUSA-N 0 0 332.447 5.320 1 0 EKAFRN COc1ccccc1N(C)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 ZINC000072134118 216023099 /nfs/dbraw/zinc/02/30/99/216023099.db2.gz NINITLSHUAPIHQ-CABCVRRESA-N 0 0 332.447 5.320 1 0 EKAFRN CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2O1 ZINC000072135096 216022967 /nfs/dbraw/zinc/02/29/67/216022967.db2.gz XOTZRPRCGXHFHS-MSOLQXFVSA-N 0 0 338.838 5.506 1 0 EKAFRN CN(c1ccc(Cl)cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 ZINC000072135097 203166521 /nfs/dbraw/zinc/16/65/21/203166521.db2.gz XOTZRPRCGXHFHS-ZWKOTPCHSA-N 0 0 338.838 5.506 1 0 EKAFRN COc1ccc(OC)c2c(/C=C/c3c(C)[nH]c4ccccc34)ccnc12 ZINC000072135123 216023434 /nfs/dbraw/zinc/02/34/34/216023434.db2.gz PBSUBTVVJHCRPW-CMDGGOBGSA-N 0 0 344.414 5.212 1 0 EKAFRN Cn1ccc2c1c1c(cc2-c2cccc3ccccc32)[C@H]2CC[C@@H]1O2 ZINC000072135888 216024943 /nfs/dbraw/zinc/02/49/43/216024943.db2.gz GLZODCOHLUSPJL-RTWAWAEBSA-N 0 0 325.411 5.905 1 0 EKAFRN Cn1ccc2c1c1c(cc2-c2cccc3ccccc32)[C@@H]2CC[C@H]1O2 ZINC000072135889 216024444 /nfs/dbraw/zinc/02/44/44/216024444.db2.gz GLZODCOHLUSPJL-LEWJYISDSA-N 0 0 325.411 5.905 1 0 EKAFRN CCCCc1ccc2nc(NC(=O)c3sccc3C)sc2c1 ZINC000072136013 216025113 /nfs/dbraw/zinc/02/51/13/216025113.db2.gz RTNBVCDVVVYNGZ-UHFFFAOYSA-N 0 0 330.478 5.261 1 0 EKAFRN CCCCc1ccc2nc(NC(=O)c3cc(C)cs3)sc2c1 ZINC000072136112 216025332 /nfs/dbraw/zinc/02/53/32/216025332.db2.gz SQWILUJSHXZIGV-UHFFFAOYSA-N 0 0 330.478 5.261 1 0 EKAFRN Cn1ccc2c1c1c(cc2-c2ccc(C(F)(F)F)cc2)[C@H]2CC[C@@H]1O2 ZINC000072136219 216025103 /nfs/dbraw/zinc/02/51/03/216025103.db2.gz DSGQGIYWJKACCQ-SJORKVTESA-N 0 0 343.348 5.770 1 0 EKAFRN Cn1ccc2c1c1c(cc2-c2ccc(C(F)(F)F)cc2)[C@@H]2CC[C@H]1O2 ZINC000072136220 203167990 /nfs/dbraw/zinc/16/79/90/203167990.db2.gz DSGQGIYWJKACCQ-DLBZAZTESA-N 0 0 343.348 5.770 1 0 EKAFRN CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 ZINC000072137548 216024676 /nfs/dbraw/zinc/02/46/76/216024676.db2.gz GXUZTDABZYSZGR-MSOLQXFVSA-N 0 0 330.475 5.570 1 0 EKAFRN COc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3C2)cc1OC ZINC000072139417 216026114 /nfs/dbraw/zinc/02/61/14/216026114.db2.gz TXTLCRIBOQQTCY-DZGCQCFKSA-N 0 0 333.431 5.227 1 0 EKAFRN COc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3C2)cc1OC ZINC000072139418 216025973 /nfs/dbraw/zinc/02/59/73/216025973.db2.gz TXTLCRIBOQQTCY-HIFRSBDPSA-N 0 0 333.431 5.227 1 0 EKAFRN Cn1ccc2c1c1c(cc2-c2ccc(C(F)(F)F)cc2)[C@H]2CC[C@@H]1C2 ZINC000072139478 216026027 /nfs/dbraw/zinc/02/60/27/216026027.db2.gz VDRMZFYUZJCSMU-UONOGXRCSA-N 0 0 341.376 6.229 1 0 EKAFRN Cn1ccc2c1c1c(cc2-c2ccc(C(F)(F)F)cc2)[C@@H]2CC[C@H]1C2 ZINC000072139479 216026043 /nfs/dbraw/zinc/02/60/43/216026043.db2.gz VDRMZFYUZJCSMU-KGLIPLIRSA-N 0 0 341.376 6.229 1 0 EKAFRN CCN(Cc1ccccc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 ZINC000072139662 216026688 /nfs/dbraw/zinc/02/66/88/216026688.db2.gz WPQHMJJUKITZNQ-VQTJNVASSA-N 0 0 332.447 5.111 1 0 EKAFRN Fc1cc(C(F)(F)F)ccc1-c1nc(/C=C/c2ccccc2)no1 ZINC000072141229 216027864 /nfs/dbraw/zinc/02/78/64/216027864.db2.gz IIVFHJKCTKBYNB-RMKNXTFCSA-N 0 0 334.272 5.065 1 0 EKAFRN Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)n2C)c1 ZINC000072141516 216027271 /nfs/dbraw/zinc/02/72/71/216027271.db2.gz ZWPSJECOTGKAKZ-UHFFFAOYSA-N 0 0 332.447 5.178 1 0 EKAFRN CCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000072141868 216027407 /nfs/dbraw/zinc/02/74/07/216027407.db2.gz DJSUQGWXSNZBAV-UHFFFAOYSA-N 0 0 330.840 5.355 1 0 EKAFRN c1ccc(-c2cc(-c3ccccn3)c3c(n2)-c2ccccc2OC3)cc1 ZINC000072142773 216026949 /nfs/dbraw/zinc/02/69/49/216026949.db2.gz ISBARHJQBDMKKT-UHFFFAOYSA-N 0 0 336.394 5.370 1 0 EKAFRN C[C@@H]1CCc2ccccc2N1Cc1coc(-c2ccccc2Cl)n1 ZINC000072142911 216027094 /nfs/dbraw/zinc/02/70/94/216027094.db2.gz OAYMKFFZLDXXSE-CQSZACIVSA-N 0 0 338.838 5.336 1 0 EKAFRN C[C@H]1CCc2ccccc2N1Cc1coc(-c2ccccc2Cl)n1 ZINC000072142912 216026968 /nfs/dbraw/zinc/02/69/68/216026968.db2.gz OAYMKFFZLDXXSE-AWEZNQCLSA-N 0 0 338.838 5.336 1 0 EKAFRN Brc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1 ZINC000072170884 216062850 /nfs/dbraw/zinc/06/28/50/216062850.db2.gz BGMKDXZAVMKCFI-VMPITWQZSA-N 0 0 347.302 6.410 1 0 EKAFRN O=C1N[C@@H](c2ccc(Cl)cc2)c2c3c(ccc2O1)oc1ccccc13 ZINC000072172076 216063114 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216065198 /nfs/dbraw/zinc/06/51/98/216065198.db2.gz IVHAVEUHLWFABI-UHFFFAOYSA-N 0 0 325.367 5.568 1 0 EKAFRN FC(F)(F)c1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1 ZINC000072175456 216065338 /nfs/dbraw/zinc/06/53/38/216065338.db2.gz RNWXSBSLFCBSJV-UHFFFAOYSA-N 0 0 341.336 5.347 1 0 EKAFRN Clc1ccc(CNc2nccc3c4ccccc4[nH]c32)cc1Cl ZINC000072175485 216065318 /nfs/dbraw/zinc/06/53/18/216065318.db2.gz ZDLNTIUTDBBRNH-UHFFFAOYSA-N 0 0 342.229 5.635 1 0 EKAFRN FC(F)(F)c1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 ZINC000072175489 203182872 /nfs/dbraw/zinc/18/28/72/203182872.db2.gz QLOMCFMHBWYDGU-UHFFFAOYSA-N 0 0 341.336 5.347 1 0 EKAFRN c1ccc(-c2ccc(CNc3cc4c(cn3)[nH]c3ccccc34)cc2)cc1 ZINC000072175490 216064486 /nfs/dbraw/zinc/06/44/86/216064486.db2.gz YMORMGOWYRKCBP-UHFFFAOYSA-N 0 0 349.437 5.995 1 0 EKAFRN c1ccc(-c2ccccc2CNc2cc3c(cn2)[nH]c2ccccc23)cc1 ZINC000072175505 216065331 /nfs/dbraw/zinc/06/53/31/216065331.db2.gz MEJFVUBLOBOJIU-UHFFFAOYSA-N 0 0 349.437 5.995 1 0 EKAFRN 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ZINC000073197021 216361790 /nfs/dbraw/zinc/36/17/90/216361790.db2.gz LAKMRENAOJDJCY-UHFFFAOYSA-N 0 0 339.394 5.494 1 0 EKAFRN CCCCC[C@H](O)CC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000073197155 216362267 /nfs/dbraw/zinc/36/22/67/216362267.db2.gz MIZCMCLDFGJDHS-SFHVURJKSA-N 0 0 348.527 5.472 1 0 EKAFRN CCCCC[C@@H](O)CC(=O)CCc1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000073197156 216361928 /nfs/dbraw/zinc/36/19/28/216361928.db2.gz MIZCMCLDFGJDHS-GOSISDBHSA-N 0 0 348.527 5.472 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(O)cc3)c2)cc1 ZINC000073198517 216362705 /nfs/dbraw/zinc/36/27/05/216362705.db2.gz RDEGKQCBPZLPGE-UHFFFAOYSA-N 0 0 339.394 5.494 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(O)c3)c2)cc1 ZINC000073198803 216362076 /nfs/dbraw/zinc/36/20/76/216362076.db2.gz JOJWYBDEKOXGGY-UHFFFAOYSA-N 0 0 339.394 5.494 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccccc3O)cc(-c3ccccc3)n2)cc1 ZINC000073198804 203259655 /nfs/dbraw/zinc/25/96/55/203259655.db2.gz WYFMOALPRXJVFE-UHFFFAOYSA-N 0 0 339.394 5.494 1 0 EKAFRN FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 ZINC000073199177 216363229 /nfs/dbraw/zinc/36/32/29/216363229.db2.gz HLRRIAAHLBSRKM-UHFFFAOYSA-N 0 0 345.151 5.410 1 0 EKAFRN CO/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000073199372 216363304 /nfs/dbraw/zinc/36/33/04/216363304.db2.gz IIUFBJITILOZMM-PDGQHHTCSA-N 0 0 329.827 5.089 1 0 EKAFRN Oc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3o2)cc1 ZINC000073199964 216363690 /nfs/dbraw/zinc/36/36/90/216363690.db2.gz GQPGUGOYNGZEEI-UHFFFAOYSA-N 0 0 326.355 5.349 1 0 EKAFRN Oc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 ZINC000073200224 216363163 /nfs/dbraw/zinc/36/31/63/216363163.db2.gz VXOMJGYRSSCPKA-UHFFFAOYSA-N 0 0 325.371 5.084 1 0 EKAFRN Cc1cc(Cl)ccc1-c1nsc(-c2ccc(Cl)cc2C)n1 ZINC000073219316 216366082 /nfs/dbraw/zinc/36/60/82/216366082.db2.gz XDNSCFJLFWJLJR-UHFFFAOYSA-N 0 0 335.259 5.796 1 0 EKAFRN O=C1CCCc2nn(-c3cccc(Cl)c3)c(C3CCCCC3)c21 ZINC000073221926 203260923 /nfs/dbraw/zinc/26/09/23/203260923.db2.gz UIUFXUYZXXKPSJ-UHFFFAOYSA-N 0 0 328.843 5.092 1 0 EKAFRN Clc1cc(Br)ccc1Nc1ccc2ccccc2n1 ZINC000073223176 216366808 /nfs/dbraw/zinc/36/68/08/216366808.db2.gz TYXMXGVFJXFKAF-UHFFFAOYSA-N 0 0 333.616 5.394 1 0 EKAFRN Cc1c(Cl)cccc1-c1nsc(-c2cccc(Cl)c2C)n1 ZINC000073224124 216366479 /nfs/dbraw/zinc/36/64/79/216366479.db2.gz NADWWOCLZZZQSA-UHFFFAOYSA-N 0 0 335.259 5.796 1 0 EKAFRN Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1O ZINC000073224298 216367017 /nfs/dbraw/zinc/36/70/17/216367017.db2.gz YJOYGCXDJCBBAL-UHFFFAOYSA-N 0 0 344.720 5.017 1 0 EKAFRN CCC(CC)c1nc(C)n2nc(-c3ccc(OC)cc3C)c(C)cc12 ZINC000073224554 203260391 /nfs/dbraw/zinc/26/03/91/203260391.db2.gz CMUDFLWRNRSEFS-UHFFFAOYSA-N 0 0 337.467 5.234 1 0 EKAFRN Cc1ccc(Nc2nncc3c(-c4ccc(O)cc4)cccc32)cc1 ZINC000073239801 216368333 /nfs/dbraw/zinc/36/83/33/216368333.db2.gz WRSYCAPFKMIFHZ-UHFFFAOYSA-N 0 0 327.387 5.054 1 0 EKAFRN CC1(C)Cc2nn(-c3cccs3)c(C3CCCCC3)c2C(=O)C1 ZINC000073240759 216368150 /nfs/dbraw/zinc/36/81/50/216368150.db2.gz SNQHTIUGRRMZNV-UHFFFAOYSA-N 0 0 328.481 5.137 1 0 EKAFRN c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 ZINC000073279993 203263520 /nfs/dbraw/zinc/26/35/20/203263520.db2.gz ILNNNUPOGRLTSY-UHFFFAOYSA-N 0 0 346.433 6.564 1 0 EKAFRN CC(C)Oc1cc(-c2ccc(N3CCCC3)cc2)nc2ccccc21 ZINC000073280495 216374519 /nfs/dbraw/zinc/37/45/19/216374519.db2.gz WCCSQOLHONVFPL-UHFFFAOYSA-N 0 0 332.447 5.289 1 0 EKAFRN Clc1ccccc1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1 ZINC000073294236 216373462 /nfs/dbraw/zinc/37/34/62/216373462.db2.gz RQYALPIXORGKPB-JLHYYAGUSA-N 0 0 336.866 6.477 1 0 EKAFRN CC(C)c1cc(C(C)(C)C)cc(-c2cccc(N(C)C)c2)c1CO ZINC000073294825 216373612 /nfs/dbraw/zinc/37/36/12/216373612.db2.gz GERNXALRDMYNPZ-UHFFFAOYSA-N 0 0 325.496 5.333 1 0 EKAFRN CC(C)c1cc(C(C)(C)C)cc(-c2cccc3ccccc32)c1CO ZINC000073295313 216374237 /nfs/dbraw/zinc/37/42/37/216374237.db2.gz USUANCDGWNOSIV-UHFFFAOYSA-N 0 0 332.487 6.420 1 0 EKAFRN CC(C)c1cc(C(C)(C)C)cc(-c2ccc3ccccc3c2)c1CO ZINC000073295315 216373848 /nfs/dbraw/zinc/37/38/48/216373848.db2.gz NCTONOXJZGFRGY-UHFFFAOYSA-N 0 0 332.487 6.420 1 0 EKAFRN CCCc1cc(Cl)c(O)c(-c2cc(CCC)cc(Cl)c2O)c1 ZINC000073296041 216373805 /nfs/dbraw/zinc/37/38/05/216373805.db2.gz MCLLKFNUWFKZFX-UHFFFAOYSA-N 0 0 339.262 5.977 1 0 EKAFRN COc1ccccc1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1 ZINC000073296270 216374571 /nfs/dbraw/zinc/37/45/71/216374571.db2.gz ZJBJCXOJEOKRHB-SDNWHVSQSA-N 0 0 332.447 5.832 1 0 EKAFRN CCCc1ccc(O)c(-c2cc(CCC)cc(Br)c2O)c1 ZINC000073297623 216373669 /nfs/dbraw/zinc/37/36/69/216373669.db2.gz VNIUZICVAUHSBH-UHFFFAOYSA-N 0 0 349.268 5.432 1 0 EKAFRN CSc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1 ZINC000073312063 216376441 /nfs/dbraw/zinc/37/64/41/216376441.db2.gz FCZVDWWPWKSMOW-UHFFFAOYSA-N 0 0 328.521 5.989 1 0 EKAFRN C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@@H]1C ZINC000073387986 203264869 /nfs/dbraw/zinc/26/48/69/203264869.db2.gz XVWDFPZSRGALNR-DJDHSFSDSA-N 0 0 344.499 5.152 1 0 EKAFRN C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)[C@H]1CCCC[C@@H]1C ZINC000073387993 216382231 /nfs/dbraw/zinc/38/22/31/216382231.db2.gz XVWDFPZSRGALNR-STEAMIEHSA-N 0 0 344.499 5.152 1 0 EKAFRN C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@@H]1C ZINC000073387996 203265486 /nfs/dbraw/zinc/26/54/86/203265486.db2.gz XVWDFPZSRGALNR-WTLGNFPFSA-N 0 0 344.499 5.152 1 0 EKAFRN C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)[C@@H]1CCCC[C@@H]1C ZINC000073387999 216382711 /nfs/dbraw/zinc/38/27/11/216382711.db2.gz XVWDFPZSRGALNR-ILRDRHFLSA-N 0 0 344.499 5.152 1 0 EKAFRN O=C(c1cc(-c2ccccc2)on1)N(C1CCCC1)C1CCCCC1 ZINC000073402448 216384255 /nfs/dbraw/zinc/38/42/55/216384255.db2.gz LNELYLIANNZHAW-UHFFFAOYSA-N 0 0 338.451 5.059 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(O)c3)n2)cc1 ZINC000082149420 217478905 /nfs/dbraw/zinc/47/89/05/217478905.db2.gz MRCMJZTZWNHYBN-UHFFFAOYSA-N 0 0 339.394 5.494 1 0 EKAFRN Oc1cccc(-c2cc(-c3ccccc3O)cc(-c3ccccc3)n2)c1 ZINC000082156869 217479880 /nfs/dbraw/zinc/47/98/80/217479880.db2.gz GRPQXLWSNFMVGS-UHFFFAOYSA-N 0 0 339.394 5.494 1 0 EKAFRN CC(C)=C/C=C/[C@@]1(C)CCc2c(O)cc(C)c(CC=C(C)C)c2O1 ZINC000084154026 291014696 /nfs/dbraw/zinc/01/46/96/291014696.db2.gz UANZUGFDTSFCAF-CGIBVWHJSA-N 0 0 326.480 5.815 1 0 biogenic,in-vitro EKAFRN CC1(C)C[C@H](O)C[C@](C)(CNc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000084614694 217620388 /nfs/dbraw/zinc/62/03/88/217620388.db2.gz RIESLYDNHARKDP-HOCLYGCPSA-N 0 0 349.824 5.348 1 0 EKAFRN CC1(C)C[C@H](O)C[C@](C)(CNc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000084614699 217620516 /nfs/dbraw/zinc/62/05/16/217620516.db2.gz OWHZBTQOZANKGJ-LRDDRELGSA-N 0 0 349.824 5.348 1 0 EKAFRN FC(F)(F)c1ccc2c(c1)nccc2-c1cnn(-c2ccccc2)c1 ZINC000084616055 217621321 /nfs/dbraw/zinc/62/13/21/217621321.db2.gz YBGJGTRWDKTGRJ-UHFFFAOYSA-N 0 0 339.320 5.106 1 0 EKAFRN Clc1ccc(Nc2nnc(-c3c[nH]c4ccccc34)s2)cc1 ZINC000084670006 217629909 /nfs/dbraw/zinc/62/99/09/217629909.db2.gz UHRIWZZABUZHBX-UHFFFAOYSA-N 0 0 326.812 5.083 1 0 EKAFRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccccc1Cl ZINC000084671677 217631363 /nfs/dbraw/zinc/63/13/63/217631363.db2.gz KKYPVDWXGFTXDX-QFIPXVFZSA-N 0 0 346.861 6.331 1 0 EKAFRN CCCCC/C=C/c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1 ZINC000084690874 217632158 /nfs/dbraw/zinc/63/21/58/217632158.db2.gz JBNBOXNHEWHGRS-VOTSOKGWSA-N 0 0 349.430 6.013 1 0 EKAFRN COC(=O)CC1=C/C(=C\c2ccc(SC)cc2)c2ccc(F)cc21 ZINC000084712595 203537141 /nfs/dbraw/zinc/53/71/41/203537141.db2.gz ZHYBDZGJVVTAHT-NTEUORMPSA-N 0 0 340.419 5.048 1 0 EKAFRN Cc1ccc([C@@]23Sc4ccccc4N=C2c2ccccc2C3=O)cc1 ZINC000084714676 217634754 /nfs/dbraw/zinc/63/47/54/217634754.db2.gz YRFJSWZJODANPB-JOCHJYFZSA-N 0 0 341.435 5.313 1 0 EKAFRN Cc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084726823 203537034 /nfs/dbraw/zinc/53/70/34/203537034.db2.gz UQVXMRDUXLDHHY-XMMPIXPASA-N 0 0 349.433 6.077 1 0 EKAFRN FC(F)(F)c1nc2ccccc2c(Sc2ccc(Cl)cc2)n1 ZINC000084728955 217637624 /nfs/dbraw/zinc/63/76/24/217637624.db2.gz UMQJJFPZABCSNA-UHFFFAOYSA-N 0 0 340.757 5.453 1 0 EKAFRN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000084729756 217637779 /nfs/dbraw/zinc/63/77/79/217637779.db2.gz XECLBYVJWQYBLT-JOCHJYFZSA-N 0 0 346.861 6.331 1 0 EKAFRN COc1ccc([C@@H](Nc2ccccc2)c2c(C)[nH]c3ccccc32)cc1 ZINC000084729761 203536712 /nfs/dbraw/zinc/53/67/12/203536712.db2.gz XUEXVGQESDMUCX-HSZRJFAPSA-N 0 0 342.442 5.686 1 0 EKAFRN Cc1ccc(C(C)C)c(NC(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000084739941 217641261 /nfs/dbraw/zinc/64/12/61/217641261.db2.gz ZQLWJUGZXBQKRM-UHFFFAOYSA-N 0 0 344.458 6.429 1 0 EKAFRN Cc1ccc(C(C)C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000084742090 217640613 /nfs/dbraw/zinc/64/06/13/217640613.db2.gz BZBMRBZWKDGVMC-UHFFFAOYSA-N 0 0 329.443 6.038 1 0 EKAFRN Cc1ccc(C(C)C)c(NC(=O)Oc2ccc(-c3ccccc3)cc2)c1 ZINC000084742306 217641507 /nfs/dbraw/zinc/64/15/07/217641507.db2.gz PMSONNCQMRASIR-UHFFFAOYSA-N 0 0 345.442 6.396 1 0 EKAFRN Cc1ccc(C(C)C)c(NC(=O)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000084742414 217640886 /nfs/dbraw/zinc/64/08/86/217640886.db2.gz NIOHQJNSDDFDMZ-UHFFFAOYSA-N 0 0 325.452 6.027 1 0 EKAFRN Cc1cc(O)c2c(c1)O[C@@]1(C)CC[C@H]3[C@@]4(CO[C@H]2[C@H]41)CCCC3(C)C ZINC000084757301 217641899 /nfs/dbraw/zinc/64/18/99/217641899.db2.gz UGGAILYEBCSZIV-ZTCOWCNDSA-N 0 0 342.479 5.146 1 0 in-man EKAFRN Cc1c(=O)c2ccccc2[nH]c1-c1ccc(-c2ccccc2F)cc1 ZINC000084758307 217642394 /nfs/dbraw/zinc/64/23/94/217642394.db2.gz YZNFGGTWPIWSFT-UHFFFAOYSA-N 0 0 329.374 5.310 1 0 EKAFRN CC[C@@H](C/C=C/CCC(=O)[O-])CCCCCC[C@@H]1C=C(CC[NH3+])CC1 ZINC000085489236 291016921 /nfs/dbraw/zinc/01/69/21/291016921.db2.gz LSOXKPCHPZASBZ-ZLNADXECSA-N 0 0 349.559 5.850 1 0 biogenic,in-vitro EKAFRN C[C@H]1CC=C[C@](C)([C@H]2CCC[C@H](Cc3cc(O)cc(CCO)c3)C2)C1 ZINC000085543621 291017472 /nfs/dbraw/zinc/01/74/72/291017472.db2.gz DMKKXGUPBVXGNO-OXHIVJRSSA-N 0 0 342.523 5.268 1 0 biogenic,in-vitro EKAFRN CCCCC[C@@H]1CC[C@@]2(C[C@@H]3[C@H]2[C@@H](O)C[C@]2(C)CCC[C@@]3(O)C2)C1 ZINC000085547647 291016920 /nfs/dbraw/zinc/01/69/20/291016920.db2.gz WSNNRICCQOXNBM-FAWMDMTCSA-N 0 0 334.544 5.065 1 0 biogenic,in-vitro EKAFRN CCCCC[C@H]1C[C@@]2(C[C@@H]3[C@H]2CC[C@]2(C)CCC[C@@]3(O)C2)C[C@@H]1CO ZINC000085547649 291016927 /nfs/dbraw/zinc/01/69/27/291016927.db2.gz KVODGEBXIXGZHI-FQULXSMESA-N 0 0 348.571 5.313 1 0 biogenic,in-vitro EKAFRN O=Cc1ccc([C@H](CN2CC23CCCCC3)C2CCCCC2)cc1 ZINC000085547951 291017619 /nfs/dbraw/zinc/01/76/19/291017619.db2.gz OELMYHZWMSUJPW-FKHAVUOCSA-N 0 0 325.496 5.182 1 0 biogenic,in-vitro EKAFRN CC1=C2C[C@]3([C@@H]4C=C[C@@H]5CCC[C@@]56CN46)CC[C@@H](C)[C@@]2(CC1)C3(C)C ZINC000085548252 291015572 /nfs/dbraw/zinc/01/55/72/291015572.db2.gz AODNXKJFRNSFJW-ICGRTBRASA-N 0 0 337.551 5.722 1 0 biogenic,in-vitro EKAFRN CC1=C2C[C@]3(CN4CC4)CC[C@@H](C4CCCCC4)[C@@]2(CC1)C3(C)C ZINC000085548331 291015540 /nfs/dbraw/zinc/01/55/40/291015540.db2.gz KELPXURMLUGWLS-AJSBUHFISA-N 0 0 327.556 5.805 1 0 biogenic,in-vitro EKAFRN CCCCc1ccc(CCc2ccc(O)c(OC3CCCCC3)c2)o1 ZINC000085624489 291016918 /nfs/dbraw/zinc/01/69/18/291016918.db2.gz YWNDOWUMAWGFGT-UHFFFAOYSA-N 0 0 342.479 5.825 1 0 biogenic,in-vitro EKAFRN CCCCc1ccc(CCc2ccc(O)c(OC3CCCC3)c2)o1 ZINC000085624498 291016915 /nfs/dbraw/zinc/01/69/15/291016915.db2.gz JGOZRSYVXVIUDC-UHFFFAOYSA-N 0 0 328.452 5.434 1 0 biogenic,in-vitro EKAFRN Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@H]1CC[C@@](C)(C[C@H]41)O3 ZINC000085945722 571791856 /nfs/dbraw/zinc/79/18/56/571791856.db2.gz SCQKOFCBSCEEQG-QQMNAOGKSA-N 0 0 331.459 5.886 1 0 endogenous,in-man EKAFRN Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3 ZINC000085945724 574416884 /nfs/dbraw/zinc/41/68/84/574416884.db2.gz SCQKOFCBSCEEQG-MFEFFIJZSA-N 0 0 331.459 5.886 1 0 endogenous,in-man EKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)C ZINC000090427533 217929595 /nfs/dbraw/zinc/92/95/95/217929595.db2.gz FCHAVFLICKAOOF-AIBIWWTJSA-N 0 0 331.544 6.220 1 0 EKAFRN CC(=O)O[C@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 ZINC000095486253 291014754 /nfs/dbraw/zinc/01/47/54/291014754.db2.gz QFTDFAVFSULANQ-FJWRRNOESA-N 0 0 336.516 5.120 1 0 biogenic,in-vitro EKAFRN CC(C)C[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000095552567 218435342 /nfs/dbraw/zinc/43/53/42/218435342.db2.gz DLHMPCIOGCSHER-LJQANCHMSA-N 0 0 336.479 5.055 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccco3)nc(-c3ccc(Cl)cc3)c2)cc1 ZINC000095552626 218434467 /nfs/dbraw/zinc/43/44/67/218434467.db2.gz VATGJQKFORRITE-UHFFFAOYSA-N 0 0 347.801 6.035 1 0 EKAFRN CCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000095553631 203761656 /nfs/dbraw/zinc/76/16/56/203761656.db2.gz OWGWQXYERIAGRG-JTQLQIEISA-N 0 0 331.637 5.017 1 0 EKAFRN CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000095554403 203759990 /nfs/dbraw/zinc/75/99/90/203759990.db2.gz ADZOQOOHSKDGKU-KRWDZBQOSA-N 0 0 342.870 5.073 1 0 EKAFRN Oc1cccc(-c2cc(-c3ccco3)nc(-c3ccc(Cl)cc3)c2)c1 ZINC000095554604 218436045 /nfs/dbraw/zinc/43/60/45/218436045.db2.gz RPKGNTBARWDYQB-UHFFFAOYSA-N 0 0 347.801 6.035 1 0 EKAFRN C[C@@H](C(=O)Nc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000095555200 218436015 /nfs/dbraw/zinc/43/60/15/218436015.db2.gz NNZLGZKXWZCOEH-CYBMUJFWSA-N 0 0 348.833 5.717 1 0 EKAFRN Oc1ccc(-c2cc(-c3ccco3)nc(-c3cccc(Cl)c3)c2)cc1 ZINC000095555223 218436506 /nfs/dbraw/zinc/43/65/06/218436506.db2.gz MQVFBAPUWKTIJS-UHFFFAOYSA-N 0 0 347.801 6.035 1 0 EKAFRN Oc1cccc(-c2cc(-c3ccco3)nc(-c3ccccc3Cl)c2)c1 ZINC000095556298 218436495 /nfs/dbraw/zinc/43/64/95/218436495.db2.gz KSCWXMDSXGEOEC-UHFFFAOYSA-N 0 0 347.801 6.035 1 0 EKAFRN Fc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 ZINC000095558473 218436750 /nfs/dbraw/zinc/43/67/50/218436750.db2.gz TVEOYNAPJWRTLM-UHFFFAOYSA-N 0 0 349.228 5.455 1 0 EKAFRN Cc1ccc(Cl)cc1-c1nsc(-c2ccc(Cl)cc2C)n1 ZINC000095558972 218436954 /nfs/dbraw/zinc/43/69/54/218436954.db2.gz JUHUHBDBRUOVLM-UHFFFAOYSA-N 0 0 335.259 5.796 1 0 EKAFRN Clc1ccc2c(c1)nccc2NCc1nc(-c2ccccc2)co1 ZINC000095559732 218436830 /nfs/dbraw/zinc/43/68/30/218436830.db2.gz ILQPRTKYYDFFLO-UHFFFAOYSA-N 0 0 335.794 5.155 1 0 EKAFRN Cn1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccccc21 ZINC000095563319 203762118 /nfs/dbraw/zinc/76/21/18/203762118.db2.gz FGWOCLZHKUNUFA-NRFANRHFSA-N 0 0 347.849 5.428 1 0 EKAFRN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2Cl)c1C=O ZINC000095563640 218437711 /nfs/dbraw/zinc/43/77/11/218437711.db2.gz DBUYMODKGXPIFK-UHFFFAOYSA-N 0 0 347.201 5.092 1 0 EKAFRN Fc1cccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)c1 ZINC000095563683 218437988 /nfs/dbraw/zinc/43/79/88/218437988.db2.gz JZHUAEMEPCQAFH-UHFFFAOYSA-N 0 0 339.439 5.293 1 0 EKAFRN Cn1cc([C@@H](Nc2ccccn2)c2ccccc2Cl)c2ccccc21 ZINC000095564353 218438400 /nfs/dbraw/zinc/43/84/00/218438400.db2.gz XVPNRAROZBMGHP-NRFANRHFSA-N 0 0 347.849 5.428 1 0 EKAFRN CC[C@@H](C)C(=O)c1c(O)cc2c(c1O)CC[C@](C)(CCC=C(C)C)O2 ZINC000095577245 203763831 /nfs/dbraw/zinc/76/38/31/203763831.db2.gz PCLLEWWERMTJCL-SZNDQCEHSA-N 0 0 346.467 5.157 1 0 EKAFRN CC[C@H](C)C(=O)c1c(O)cc2c(c1O)CC[C@](C)(CCC=C(C)C)O2 ZINC000095577246 218439612 /nfs/dbraw/zinc/43/96/12/218439612.db2.gz PCLLEWWERMTJCL-QKKBWIMNSA-N 0 0 346.467 5.157 1 0 EKAFRN CC(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3ccccc3c2)c1 ZINC000095577642 203763717 /nfs/dbraw/zinc/76/37/17/203763717.db2.gz NZFZDMBBROWZBS-UHFFFAOYSA-N 0 0 346.474 6.020 1 0 EKAFRN Cc1cc(C)c(Nc2cc(Oc3c(C)cc(C)cc3C)ncn2)c(C)c1 ZINC000095578325 218440024 /nfs/dbraw/zinc/44/00/24/218440024.db2.gz AGKZVPXIDDBVMR-UHFFFAOYSA-N 0 0 347.462 5.863 1 0 EKAFRN CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)NC2CCCCC2)no1 ZINC000095578999 203764415 /nfs/dbraw/zinc/76/44/15/203764415.db2.gz UOTLDRHRWZLHME-IENJSVCTSA-N 0 0 342.483 5.133 1 0 EKAFRN CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 ZINC000095581317 218440221 /nfs/dbraw/zinc/44/02/21/218440221.db2.gz FFHOZBSPIAPLQP-LJQANCHMSA-N 0 0 334.444 5.082 1 0 EKAFRN CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 ZINC000095581318 218440582 /nfs/dbraw/zinc/44/05/82/218440582.db2.gz FFHOZBSPIAPLQP-IBGZPJMESA-N 0 0 334.444 5.082 1 0 EKAFRN CCOC(=O)c1[nH]c2ccc(C)cc2c1Sc1ccc(Cl)cc1 ZINC000095582892 218440631 /nfs/dbraw/zinc/44/06/31/218440631.db2.gz QMPJJGKATRZDOQ-UHFFFAOYSA-N 0 0 345.851 5.458 1 0 EKAFRN CCc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2)s1 ZINC000095582986 218440707 /nfs/dbraw/zinc/44/07/07/218440707.db2.gz XAKVCCNKFODRRJ-HXUWFJFHSA-N 0 0 348.471 5.106 1 0 EKAFRN CCCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 ZINC000095583903 218441024 /nfs/dbraw/zinc/44/10/24/218441024.db2.gz SEOPTNNPNXQCLW-FQEVSTJZSA-N 0 0 348.471 5.472 1 0 EKAFRN Clc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)n1 ZINC000095583917 218440508 /nfs/dbraw/zinc/44/05/08/218440508.db2.gz JKTMEYXRCJFWAI-UHFFFAOYSA-N 0 0 326.831 5.023 1 0 in-vitro EKAFRN Cc1ccc([C@H]2Nc3c(C)cccc3C(=O)N2c2ccccc2)s1 ZINC000095584149 218440259 /nfs/dbraw/zinc/44/02/59/218440259.db2.gz REWAUGRSTYZAMK-IBGZPJMESA-N 0 0 334.444 5.136 1 0 EKAFRN CCN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(C)s1 ZINC000095584287 218440768 /nfs/dbraw/zinc/44/07/68/218440768.db2.gz GLQCLDSRRFENCV-FQEVSTJZSA-N 0 0 348.471 5.242 1 0 EKAFRN Cc1nnc(Cc2cccc(Oc3cc(C)c(Cl)c(C)c3)c2)o1 ZINC000095584594 218441075 /nfs/dbraw/zinc/44/10/75/218441075.db2.gz VODTUPJDTMPCJY-UHFFFAOYSA-N 0 0 328.799 5.031 1 0 EKAFRN O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1cc(F)cc(F)c1 ZINC000095586426 218441947 /nfs/dbraw/zinc/44/19/47/218441947.db2.gz BKQOACXPMXWKTP-UHFFFAOYSA-N 0 0 348.296 5.221 1 0 EKAFRN CCCCCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](C1CCCCC1)N2 ZINC000095588145 203763209 /nfs/dbraw/zinc/76/32/09/203763209.db2.gz PLOUXGVSNIUAMA-BWAGFHJFSA-N 0 0 327.512 5.871 1 0 EKAFRN c1ccc(-c2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1 ZINC000095588556 203764373 /nfs/dbraw/zinc/76/43/73/203764373.db2.gz NVPLNHJBYGKMMK-ZTCOLXNVSA-N 0 0 347.502 6.196 1 0 EKAFRN CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 ZINC000095588589 218441964 /nfs/dbraw/zinc/44/19/64/218441964.db2.gz ZNNNHMQVUHNXQO-PMOQBDJRSA-N 0 0 341.539 6.261 1 0 EKAFRN CC(C)c1c(O[C@H]2CCCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O ZINC000095589083 203764835 /nfs/dbraw/zinc/76/48/35/203764835.db2.gz BZUWQISDPPBBPF-LPHOPBHVSA-N 0 0 339.479 5.047 1 0 EKAFRN CCCCCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C(CC)CC)N2 ZINC000095590570 218442866 /nfs/dbraw/zinc/44/28/66/218442866.db2.gz PUKMFERGIKBKJD-BWAGFHJFSA-N 0 0 329.528 6.117 1 0 EKAFRN CCCCCc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000095593963 203765011 /nfs/dbraw/zinc/76/50/11/203765011.db2.gz HWYDJOMBMCGWCJ-UHFFFAOYSA-N 0 0 330.493 5.177 1 0 EKAFRN Cc1ccc(Nc2nnc(-c3ccccc3Cl)c3ccccc32)cc1 ZINC000095594211 218443825 /nfs/dbraw/zinc/44/38/25/218443825.db2.gz ZZECIOTWJGZQLJ-UHFFFAOYSA-N 0 0 345.833 6.002 1 0 EKAFRN CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OCCC ZINC000095618252 571797987 /nfs/dbraw/zinc/79/79/87/571797987.db2.gz SFPNSCZLRJDTGT-IXDOJHRFSA-N 0 0 340.548 5.948 1 0 endogenous,in-man EKAFRN CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCCC ZINC000095618253 571798021 /nfs/dbraw/zinc/79/80/21/571798021.db2.gz SFPNSCZLRJDTGT-RDPWEWGOSA-N 0 0 340.548 5.948 1 0 endogenous,in-man EKAFRN C=C/C(C)=C/C[C@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000095909205 291013768 /nfs/dbraw/zinc/01/37/68/291013768.db2.gz VJDJSELBAMIXHE-YWJOTBCWSA-N 0 0 330.512 5.851 1 0 biogenic,in-vitro EKAFRN CCCCC/C=C\CCCCCCc1cc(=O)c2c(n1C)CC=CC2 ZINC000095913701 291015686 /nfs/dbraw/zinc/01/56/86/291015686.db2.gz GOQAIYGQXSZVJZ-FPLPWBNLSA-N 0 0 341.539 5.670 1 0 biogenic,in-vitro EKAFRN CC(=O)O[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)/C(C)=C/CO ZINC000096900624 218896613 /nfs/dbraw/zinc/89/66/13/218896613.db2.gz XXKXYCZWYIZXHT-VWVWAGKGSA-N 0 0 348.527 5.046 1 0 EKAFRN CCS[C@H]1SC(c2ccccc2)(c2ccccc2)c2ccccc21 ZINC000096903417 218897518 /nfs/dbraw/zinc/89/75/18/218897518.db2.gz KQGRJLLVBPJGTK-NRFANRHFSA-N 0 0 348.536 6.477 1 0 EKAFRN Clc1ccc(-c2nc3ccc(N4CCCCC4)nc3s2)cc1 ZINC000096911339 218898154 /nfs/dbraw/zinc/89/81/54/218898154.db2.gz RIFSEFZODCMOQY-UHFFFAOYSA-N 0 0 329.856 5.002 1 0 EKAFRN O=C1c2ccccc2-c2nccc3nc(-c4ccc(Cl)cc4)cc1c32 ZINC000096934769 218901738 /nfs/dbraw/zinc/90/17/38/218901738.db2.gz JMIKSJYQTVDBAX-UHFFFAOYSA-N 0 0 342.785 5.162 1 0 EKAFRN O=c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)oc2ccccc12 ZINC000096937346 218902908 /nfs/dbraw/zinc/90/29/08/218902908.db2.gz AIZTWJVKZIIEBP-UHFFFAOYSA-N 0 0 348.785 5.906 1 0 EKAFRN COc1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(C)C)cc1 ZINC000096937386 218902912 /nfs/dbraw/zinc/90/29/12/218902912.db2.gz ZTQBSMFKIIULNB-UHFFFAOYSA-N 0 0 329.443 6.090 1 0 EKAFRN Cc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1 ZINC000096937387 218902735 /nfs/dbraw/zinc/90/27/35/218902735.db2.gz VUTMYRGGYVAPRP-UHFFFAOYSA-N 0 0 333.434 6.759 1 0 EKAFRN c1nn2ccc(NC3CCCCC3)nc2c1-c1ccc2ccccc2c1 ZINC000096938013 218903029 /nfs/dbraw/zinc/90/30/29/218903029.db2.gz CZOBCNFPTMNZHD-UHFFFAOYSA-N 0 0 342.446 5.294 1 0 EKAFRN CCCCCn1c2ccccc2c2cc(C(=O)c3ccccc3)ccc21 ZINC000096938078 218902891 /nfs/dbraw/zinc/90/28/91/218902891.db2.gz BRJRXEOBLQQTQY-UHFFFAOYSA-N 0 0 341.454 6.216 1 0 EKAFRN Cc1cc(=O)oc2cc(Oc3cc(Cl)nc4ccccc43)ccc12 ZINC000098082093 219080345 /nfs/dbraw/zinc/08/03/45/219080345.db2.gz AKEWMCXXULUQBA-UHFFFAOYSA-N 0 0 337.762 5.095 1 0 EKAFRN Cc1ccc(N=C2NN=Cc3cc4cc(C)ccc4nc3S2)c(C)c1 ZINC000098082438 219081051 /nfs/dbraw/zinc/08/10/51/219081051.db2.gz FXIHSQXLYRANKZ-UHFFFAOYSA-N 0 0 346.459 5.068 1 0 EKAFRN CCc1ccc(N=C2NN=Cc3cc4cc(C)ccc4nc3S2)cc1 ZINC000098082439 219080863 /nfs/dbraw/zinc/08/08/63/219080863.db2.gz HIXYMSKSGPRSHJ-UHFFFAOYSA-N 0 0 346.459 5.013 1 0 EKAFRN Cc1cccc(C)c1N=C1NN=Cc2cc3cccc(C)c3nc2S1 ZINC000098083873 219081225 /nfs/dbraw/zinc/08/12/25/219081225.db2.gz QGMAQPFUYLUWRT-UHFFFAOYSA-N 0 0 346.459 5.068 1 0 EKAFRN Cc1ccc2nc3c(cc2c1)C=NNC(=Nc1c(C)cccc1C)S3 ZINC000098084160 219080913 /nfs/dbraw/zinc/08/09/13/219080913.db2.gz IEKRDNMPMBGBDO-UHFFFAOYSA-N 0 0 346.459 5.068 1 0 EKAFRN O=C(O[C@H]1Cc2cccc3cccc1c23)c1ccc(Cl)c(Cl)c1 ZINC000098084806 219081218 /nfs/dbraw/zinc/08/12/18/219081218.db2.gz MVOZEZKIDVCPOK-KRWDZBQOSA-N 0 0 343.209 5.601 1 0 EKAFRN O=C(O[C@@H]1Cc2cccc3cccc1c23)c1ccc(Cl)c(Cl)c1 ZINC000098084807 219081240 /nfs/dbraw/zinc/08/12/40/219081240.db2.gz MVOZEZKIDVCPOK-QGZVFWFLSA-N 0 0 343.209 5.601 1 0 EKAFRN CC(C)c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 ZINC000100068470 219089583 /nfs/dbraw/zinc/08/95/83/219089583.db2.gz NSKLNRWWULBAJO-UHFFFAOYSA-N 0 0 345.421 5.361 1 0 EKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 ZINC000100290493 219095949 /nfs/dbraw/zinc/09/59/49/219095949.db2.gz ZJNVIVRSORGHEF-CVEARBPZSA-N 0 0 342.523 6.821 1 0 EKAFRN CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCO ZINC000100352639 219097640 /nfs/dbraw/zinc/09/76/40/219097640.db2.gz LGEQQWMQCRIYKG-AVHBIOJASA-N 0 0 347.543 5.241 1 0 EKAFRN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1 ZINC000100632701 219103364 /nfs/dbraw/zinc/10/33/64/219103364.db2.gz ZPGPTWHKZBMVBI-JOCHJYFZSA-N 0 0 346.430 5.253 1 0 EKAFRN Cc1cc2c(cc1C)N[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000100644445 219103394 /nfs/dbraw/zinc/10/33/94/219103394.db2.gz FDVZYQKXLPWYJY-NRFANRHFSA-N 0 0 347.462 5.570 1 0 EKAFRN c1ccc(-c2nc3c([nH]2)c(NC2CCCC2)nc2ccccc32)cc1 ZINC000100650181 219103682 /nfs/dbraw/zinc/10/36/82/219103682.db2.gz NWRVMTIXIRNDKA-UHFFFAOYSA-N 0 0 328.419 5.084 1 0 EKAFRN Cc1ccc2c(c1)N[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000100650837 219103550 /nfs/dbraw/zinc/10/35/50/219103550.db2.gz AQVMHAPTQYRDGR-LJQANCHMSA-N 0 0 338.476 5.928 1 0 EKAFRN Cc1ccc2c(c1)N[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000100650840 219103201 /nfs/dbraw/zinc/10/32/01/219103201.db2.gz AQVMHAPTQYRDGR-IBGZPJMESA-N 0 0 338.476 5.928 1 0 EKAFRN c1ccc(Nc2nc3ccccc3c3nc(-c4ccccc4)[nH]c32)cc1 ZINC000100655655 219103250 /nfs/dbraw/zinc/10/32/50/219103250.db2.gz YGHGENGJGPQBRJ-UHFFFAOYSA-N 0 0 336.398 5.473 1 0 EKAFRN CCCn1c2[nH]c(C3CCCC3)nc2c(=S)n(CCC)c1=S ZINC000100671875 219104398 /nfs/dbraw/zinc/10/43/98/219104398.db2.gz MWVNTKWTRCFSNP-UHFFFAOYSA-N 0 0 336.530 5.102 1 0 EKAFRN CC(C)(O)CCCCc1cccc(/C=C/[C@@]2(C)CC[C@H](O)CC2)c1 ZINC000100738300 219105130 /nfs/dbraw/zinc/10/51/30/219105130.db2.gz VUPXSZKJILWBPI-RNLIKRBWSA-N 0 0 330.512 5.125 1 0 EKAFRN Cc1ccc2c(c1)c1ccc3c4c1n2C(C)(C)[C@H]1CC[C@](C)(C[C@@H]41)O3 ZINC000100773097 571817634 /nfs/dbraw/zinc/81/76/34/571817634.db2.gz SCQKOFCBSCEEQG-SAHWJRBASA-N 0 0 331.459 5.886 1 0 endogenous,in-man EKAFRN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ccc(F)cc3SC12 ZINC000100796246 219107163 /nfs/dbraw/zinc/10/71/63/219107163.db2.gz OTHRPXZOUNCYQW-NSHDSACASA-N 0 0 345.826 6.005 1 0 EKAFRN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ccc(F)cc3SC12 ZINC000100796248 219107118 /nfs/dbraw/zinc/10/71/18/219107118.db2.gz OTHRPXZOUNCYQW-LLVKDONJSA-N 0 0 345.826 6.005 1 0 EKAFRN O=C1C[C@@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3SC12 ZINC000100796334 219107028 /nfs/dbraw/zinc/10/70/28/219107028.db2.gz KMLXQGGKAVIFQI-LBPRGKRZSA-N 0 0 327.836 5.865 1 0 EKAFRN O=C1C[C@H](c2ccccc2)CC2=Nc3ccc(Cl)cc3SC12 ZINC000100796336 219106927 /nfs/dbraw/zinc/10/69/27/219106927.db2.gz KMLXQGGKAVIFQI-GFCCVEGCSA-N 0 0 327.836 5.865 1 0 EKAFRN COc1cccc([C@@H]2CC(=O)C3Sc4cc(F)ccc4N=C3C2)c1 ZINC000100796348 219107007 /nfs/dbraw/zinc/10/70/07/219107007.db2.gz MTGSKLQPUFXFOL-LBPRGKRZSA-N 0 0 341.407 5.360 1 0 EKAFRN COc1cccc([C@H]2CC(=O)C3Sc4cc(F)ccc4N=C3C2)c1 ZINC000100796350 219107569 /nfs/dbraw/zinc/10/75/69/219107569.db2.gz MTGSKLQPUFXFOL-GFCCVEGCSA-N 0 0 341.407 5.360 1 0 EKAFRN CC(C)CC[C@H]1S[C@@H](CCC(C)C)S[C@@H](CCC(C)C)S1 ZINC000100950574 219113064 /nfs/dbraw/zinc/11/30/64/219113064.db2.gz NTXLGTSNINCLPB-UYQNGYJDSA-N 0 0 348.687 7.487 1 0 EKAFRN COC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccc(OC)cc1 ZINC000100957374 219112718 /nfs/dbraw/zinc/11/27/18/219112718.db2.gz NTWDBJJVUXQRGH-GHNGSUTGSA-N 0 0 341.432 5.051 1 0 EKAFRN Clc1cc2c3cc[nH]cc-3nc2c(Cl)c1OCC1CCCCC1 ZINC000100958124 219112962 /nfs/dbraw/zinc/11/29/62/219112962.db2.gz NYYUHVYOJVRFSZ-UHFFFAOYSA-N 0 0 349.261 5.934 1 0 EKAFRN CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCCCC1 ZINC000100991839 219112497 /nfs/dbraw/zinc/11/24/97/219112497.db2.gz NTMJGBPXLHDTGK-UHFFFAOYSA-N 0 0 329.444 5.071 1 0 EKAFRN CC1(C)Sc2ccccc2C(=O)C1C(=O)Nc1cccc(Cl)c1 ZINC000100997190 219113480 /nfs/dbraw/zinc/11/34/80/219113480.db2.gz BUJPRQOJIZGWNV-UHFFFAOYSA-N 0 0 345.851 5.132 1 0 EKAFRN c1ccc(CNc2nc3ccccc3c3nc(C4CCCC4)[nH]c32)cc1 ZINC000101044177 219115347 /nfs/dbraw/zinc/11/53/47/219115347.db2.gz SVFZJACZPSFUOW-UHFFFAOYSA-N 0 0 342.446 5.332 1 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5.125 1 0 EKAFRN Clc1cccc([C@@H]2c3cc4c(cc3NC3=C2CCCC3)OCO4)c1 ZINC000101645119 219150587 /nfs/dbraw/zinc/15/05/87/219150587.db2.gz HFSZIZDBDMENHB-FQEVSTJZSA-N 0 0 339.822 5.454 1 0 EKAFRN Clc1cccc([C@H]2c3cc4c(cc3NC3=C2CCCC3)OCO4)c1 ZINC000101645124 204016800 /nfs/dbraw/zinc/01/68/00/204016800.db2.gz HFSZIZDBDMENHB-HXUWFJFHSA-N 0 0 339.822 5.454 1 0 EKAFRN O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000101679176 204018480 /nfs/dbraw/zinc/01/84/80/204018480.db2.gz WOBDOASPGMXUAV-HXUWFJFHSA-N 0 0 342.398 5.154 1 0 EKAFRN O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1c(ccc3ncccc31)N2 ZINC000101679178 204018538 /nfs/dbraw/zinc/01/85/38/204018538.db2.gz WOBDOASPGMXUAV-FQEVSTJZSA-N 0 0 342.398 5.154 1 0 EKAFRN Clc1cccc([C@H]2C3=C(CCC3)Nc3cc4c(cc32)OCO4)c1 ZINC000101708087 219158303 /nfs/dbraw/zinc/15/83/03/219158303.db2.gz GWBPIVXNDUUQGD-IBGZPJMESA-N 0 0 325.795 5.064 1 0 EKAFRN Clc1cccc([C@@H]2C3=C(CCC3)Nc3cc4c(cc32)OCO4)c1 ZINC000101708090 219158441 /nfs/dbraw/zinc/15/84/41/219158441.db2.gz GWBPIVXNDUUQGD-LJQANCHMSA-N 0 0 325.795 5.064 1 0 EKAFRN COc1ccc(/N=c2\cc(-c3ccc(O)cc3)oc3ccccc32)cc1 ZINC000101749946 219160569 /nfs/dbraw/zinc/16/05/69/219160569.db2.gz RRPHNGUXLUAZTO-BSYVCWPDSA-N 0 0 343.382 5.046 1 0 EKAFRN C[C@@H]1CC2=C(C(=O)O1)[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000101816718 219166398 /nfs/dbraw/zinc/16/63/98/219166398.db2.gz GUCQPLYCDVLKKP-ADLMAVQZSA-N 0 0 340.810 5.158 1 0 EKAFRN C[C@H]1CC2=C(C(=O)O1)[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000101816722 204023826 /nfs/dbraw/zinc/02/38/26/204023826.db2.gz GUCQPLYCDVLKKP-BBATYDOGSA-N 0 0 340.810 5.158 1 0 EKAFRN C[C@@H]1CC2=C(C(=O)O1)[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000101816726 219166181 /nfs/dbraw/zinc/16/61/81/219166181.db2.gz GUCQPLYCDVLKKP-ZMZPIMSZSA-N 0 0 340.810 5.158 1 0 EKAFRN C[C@H]1CC2=C(C(=O)O1)[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2 ZINC000101816732 219165901 /nfs/dbraw/zinc/16/59/01/219165901.db2.gz GUCQPLYCDVLKKP-VOJFVSQTSA-N 0 0 340.810 5.158 1 0 EKAFRN Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccccc3Cl)C2)cc1 ZINC000102038508 219181349 /nfs/dbraw/zinc/18/13/49/219181349.db2.gz TXDYHOBHEBBEKZ-NRFANRHFSA-N 0 0 349.817 5.690 1 0 EKAFRN Oc1ccc(C2=Nc3ccccc3O[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102038512 219181850 /nfs/dbraw/zinc/18/18/50/219181850.db2.gz TXDYHOBHEBBEKZ-OAQYLSRUSA-N 0 0 349.817 5.690 1 0 EKAFRN CCOC(=O)C(=CNc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000102202234 219190231 /nfs/dbraw/zinc/19/02/31/219190231.db2.gz NMOKOCAFGUURBO-KAMYIIQDSA-N 0 0 336.218 5.010 1 0 EKAFRN Cc1cc2c(cc1C)N[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102664620 204046441 /nfs/dbraw/zinc/04/64/41/204046441.db2.gz YBOCYKXDJUXDCE-NRFANRHFSA-N 0 0 347.462 5.570 1 0 EKAFRN Cc1cc2c(cc1C)N[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102664621 219219926 /nfs/dbraw/zinc/21/99/26/219219926.db2.gz YBOCYKXDJUXDCE-OAQYLSRUSA-N 0 0 347.462 5.570 1 0 EKAFRN CC(=C(c1ccccc1)c1ccccc1)c1ccc([S@@](C)(=N)=O)cc1 ZINC000103019639 204059340 /nfs/dbraw/zinc/05/93/40/204059340.db2.gz BWPGPZMWVQLQMJ-VWLOTQADSA-N 0 0 347.483 5.701 1 0 EKAFRN CC1=C(CC(N)=O)c2cc(F)ccc2/C1=C/c1ccc(C(C)C)cc1 ZINC000103086345 219254443 /nfs/dbraw/zinc/25/44/43/219254443.db2.gz LGQQXFLHICRHFS-VXLYETTFSA-N 0 0 335.422 5.152 1 0 EKAFRN c1ccc([C@H]2O[C@H]3c4cccc5cccc(c45)[C@@H]3N2c2ccccc2)cc1 ZINC000103132798 204063806 /nfs/dbraw/zinc/06/38/06/204063806.db2.gz XQVNBWQUBGRWCR-CCDWMCETSA-N 0 0 349.433 6.171 1 0 EKAFRN c1ccc([C@H]2O[C@@H]3c4cccc5cccc(c45)[C@@H]3N2c2ccccc2)cc1 ZINC000103132800 204062602 /nfs/dbraw/zinc/06/26/02/204062602.db2.gz XQVNBWQUBGRWCR-ISJGIBHGSA-N 0 0 349.433 6.171 1 0 EKAFRN S=c1[nH]c(=S)c2c([nH]1)NC1=C(CCCC1)[C@@H]2c1ccccc1 ZINC000103163689 219265172 /nfs/dbraw/zinc/26/51/72/219265172.db2.gz IJJCBEWASPWVHH-ZDUSSCGKSA-N 0 0 327.478 5.187 1 0 EKAFRN S=c1[nH]c(=S)c2c([nH]1)NC1=C(CCCC1)[C@H]2c1ccccc1 ZINC000103163691 204064301 /nfs/dbraw/zinc/06/43/01/204064301.db2.gz IJJCBEWASPWVHH-CYBMUJFWSA-N 0 0 327.478 5.187 1 0 EKAFRN Cn1s/c(=N/c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000103167972 219264412 /nfs/dbraw/zinc/26/44/12/219264412.db2.gz YLEXACWBAOCRGH-QURGRASLSA-N 0 0 343.455 5.048 1 0 EKAFRN Cn1s/c(=N/c2ccccc2-c2ccccc2)nc1-c1ccccc1 ZINC000103167974 219264443 /nfs/dbraw/zinc/26/44/43/219264443.db2.gz PFRHGPYAEYFAGB-QURGRASLSA-N 0 0 343.455 5.048 1 0 EKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2)nn1 ZINC000103169643 204065166 /nfs/dbraw/zinc/06/51/66/204065166.db2.gz YOMNPSVCMMMHMT-UHFFFAOYSA-N 0 0 330.309 5.263 1 0 EKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2C)nn1 ZINC000103169647 219264578 /nfs/dbraw/zinc/26/45/78/219264578.db2.gz LCRYJRCNZTXTKE-UHFFFAOYSA-N 0 0 344.336 5.572 1 0 EKAFRN Cc1cccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 ZINC000103169651 219264667 /nfs/dbraw/zinc/26/46/67/219264667.db2.gz MOORGNJVLOONSG-UHFFFAOYSA-N 0 0 344.336 5.572 1 0 EKAFRN CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2csc3ccccc32)C1 ZINC000103170220 219264486 /nfs/dbraw/zinc/26/44/86/219264486.db2.gz KZDVHICYWXIVJC-UHFFFAOYSA-N 0 0 347.483 5.452 1 0 EKAFRN CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc3ccccc3s2)C1 ZINC000103170228 219264765 /nfs/dbraw/zinc/26/47/65/219264765.db2.gz NHTZRHPDYOVESC-UHFFFAOYSA-N 0 0 347.483 5.452 1 0 EKAFRN COc1ccc([C@@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000103172572 204064185 /nfs/dbraw/zinc/06/41/85/204064185.db2.gz NRPYGMADXJBPKJ-HSZRJFAPSA-N 0 0 340.422 5.734 1 0 EKAFRN COc1ccc([C@H](c2ccccc2)c2c(O)ccc3ccccc32)cc1 ZINC000103172575 219266176 /nfs/dbraw/zinc/26/61/76/219266176.db2.gz NRPYGMADXJBPKJ-QHCPKHFHSA-N 0 0 340.422 5.734 1 0 EKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Cl)cc1Cl ZINC000103172649 204065047 /nfs/dbraw/zinc/06/50/47/204065047.db2.gz JNHAZFDZPNGYFT-PVXIVEMSSA-N 0 0 329.267 5.611 1 0 EKAFRN CCCC/C=C\CCCCCCCC/C=C/CCC(=O)C(F)(F)F ZINC000103173877 204064372 /nfs/dbraw/zinc/06/43/72/204064372.db2.gz ZGZRIICZPCUMBS-IYUNJCAYSA-N 0 0 346.477 7.321 1 0 EKAFRN CCCC/C=C\CCCCCCCCC/C=C/CC(=O)C(F)(F)F ZINC000103173880 219266098 /nfs/dbraw/zinc/26/60/98/219266098.db2.gz UCIDMQKKABIWDU-RAPDCGKPSA-N 0 0 346.477 7.321 1 0 EKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(Br)cc1 ZINC000103174451 219265482 /nfs/dbraw/zinc/26/54/82/219265482.db2.gz FVVDVWBVLRKPMN-UHOFOFEASA-N 0 0 339.273 5.067 1 0 EKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(Br)c1 ZINC000103174456 204064451 /nfs/dbraw/zinc/06/44/51/204064451.db2.gz SFVAEPHIYBJLPU-UHOFOFEASA-N 0 0 339.273 5.067 1 0 EKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1Br ZINC000103174459 204064952 /nfs/dbraw/zinc/06/49/52/204064952.db2.gz FQHVEIIGOKERTH-DVOMOZLQSA-N 0 0 339.273 5.067 1 0 EKAFRN Cc1ccsc1C1=NN[C@H](c2cc3cccc(C)c3nc2Cl)C1 ZINC000103174957 219266077 /nfs/dbraw/zinc/26/60/77/219266077.db2.gz JXMMZEZMTMGITF-AWEZNQCLSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1ccsc1C1=NN[C@@H](c2cc3cccc(C)c3nc2Cl)C1 ZINC000103174959 219265748 /nfs/dbraw/zinc/26/57/48/219265748.db2.gz JXMMZEZMTMGITF-CQSZACIVSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1nc(Cl)c(C(=O)Nc2ccccc2-c2ccccc2)s1 ZINC000103175082 219265873 /nfs/dbraw/zinc/26/58/73/219265873.db2.gz KDJZCHPEQKWJTK-UHFFFAOYSA-N 0 0 328.824 5.024 1 0 EKAFRN Cc1nc(C(F)F)c(C(=O)Nc2ccccc2-c2ccccc2)s1 ZINC000103175084 219266123 /nfs/dbraw/zinc/26/61/23/219266123.db2.gz OVEUQUSJXDUBKT-UHFFFAOYSA-N 0 0 344.386 5.308 1 0 EKAFRN CC[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3Cl)c21 ZINC000103178571 219266903 /nfs/dbraw/zinc/26/69/03/219266903.db2.gz AQQKJWQPZKBOBV-GFCCVEGCSA-N 0 0 328.843 5.162 1 0 EKAFRN CC[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3Cl)c21 ZINC000103178574 219266475 /nfs/dbraw/zinc/26/64/75/219266475.db2.gz AQQKJWQPZKBOBV-LBPRGKRZSA-N 0 0 328.843 5.162 1 0 EKAFRN CC[C@@H]1C[C@@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 ZINC000103178578 219266328 /nfs/dbraw/zinc/26/63/28/219266328.db2.gz RMJYIGSZMFOADY-ZUOKHONESA-N 0 0 342.870 5.552 1 0 EKAFRN CC[C@H]1C[C@@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 ZINC000103178581 219266502 /nfs/dbraw/zinc/26/65/02/219266502.db2.gz RMJYIGSZMFOADY-RNODOKPDSA-N 0 0 342.870 5.552 1 0 EKAFRN CC[C@@H]1C[C@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 ZINC000103178583 219266473 /nfs/dbraw/zinc/26/64/73/219266473.db2.gz RMJYIGSZMFOADY-XCLFUZPHSA-N 0 0 342.870 5.552 1 0 EKAFRN CC[C@H]1C[C@](C)(CC)c2cccc(NC(=O)c3cccnc3Cl)c21 ZINC000103178586 219266326 /nfs/dbraw/zinc/26/63/26/219266326.db2.gz RMJYIGSZMFOADY-RBZFPXEDSA-N 0 0 342.870 5.552 1 0 EKAFRN CCCCn1c2cc(OC)ccc2nc1-c1c(O)ccc2ccccc21 ZINC000103179248 219266791 /nfs/dbraw/zinc/26/67/91/219266791.db2.gz ZCXVPJBGLYXGMX-UHFFFAOYSA-N 0 0 346.430 5.371 1 0 EKAFRN CCOC(=O)c1ccc(OC[C@H](Cc2ccccc2)CC(C)C)cc1 ZINC000103180402 219266554 /nfs/dbraw/zinc/26/65/54/219266554.db2.gz IULNUIRKBPGZSM-IBGZPJMESA-N 0 0 340.463 5.147 1 0 EKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC(C)C ZINC000103183084 219266899 /nfs/dbraw/zinc/26/68/99/219266899.db2.gz UBDYIDHYYIWNDR-MURFETPASA-N 0 0 349.603 6.962 1 0 EKAFRN CO[C@@H](c1cc(C)no1)c1ccccc1/C=C/c1ccc(Cl)cc1 ZINC000103183728 204066627 /nfs/dbraw/zinc/06/66/27/204066627.db2.gz OVBUJNNFMICYNX-JRMCHAMMSA-N 0 0 339.822 5.543 1 0 EKAFRN CO[C@H](c1cc(C)no1)c1ccccc1/C=C/c1ccc(Cl)cc1 ZINC000103183730 219266941 /nfs/dbraw/zinc/26/69/41/219266941.db2.gz OVBUJNNFMICYNX-OSICKASQSA-N 0 0 339.822 5.543 1 0 EKAFRN Clc1ccc(C2=NO[C@H](c3ccccc3)N2c2ccccc2)cc1 ZINC000103184146 204066606 /nfs/dbraw/zinc/06/66/06/204066606.db2.gz QYSJAKYBEZNJGF-HXUWFJFHSA-N 0 0 334.806 5.237 1 0 EKAFRN Clc1ccc(C2=NO[C@@H](c3ccccc3)N2c2ccccc2)cc1 ZINC000103184148 219266386 /nfs/dbraw/zinc/26/63/86/219266386.db2.gz QYSJAKYBEZNJGF-FQEVSTJZSA-N 0 0 334.806 5.237 1 0 EKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2F)nn1 ZINC000103186311 204066583 /nfs/dbraw/zinc/06/65/83/204066583.db2.gz GJKVJOZNGSQEKG-UHFFFAOYSA-N 0 0 348.299 5.402 1 0 EKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(F)cc2)nn1 ZINC000103186316 204066011 /nfs/dbraw/zinc/06/60/11/204066011.db2.gz VWHKXDZEMOKZRR-UHFFFAOYSA-N 0 0 348.299 5.402 1 0 EKAFRN CC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000103186462 219267096 /nfs/dbraw/zinc/26/70/96/219267096.db2.gz XCJWCUQYANKDMZ-UHFFFAOYSA-N 0 0 348.467 5.069 1 0 EKAFRN Fc1ccc2nc(SCc3c(F)cccc3F)sc2c1F ZINC000103186613 219267639 /nfs/dbraw/zinc/26/76/39/219267639.db2.gz QUBSHEYMUNJAEN-UHFFFAOYSA-N 0 0 329.343 5.145 1 0 EKAFRN Fc1ccc(CSc2nc3ccc(F)c(F)c3s2)cc1F ZINC000103186616 219267326 /nfs/dbraw/zinc/26/73/26/219267326.db2.gz IAOONDPKNNROFN-UHFFFAOYSA-N 0 0 329.343 5.145 1 0 EKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2)nn1 ZINC000103187778 219267422 /nfs/dbraw/zinc/26/74/22/219267422.db2.gz NXPOMVDJHZUQQI-UHFFFAOYSA-N 0 0 344.336 5.050 1 0 EKAFRN Cc1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103187877 219267346 /nfs/dbraw/zinc/26/73/46/219267346.db2.gz ZGNWCHPLGNVSKA-UHFFFAOYSA-N 0 0 344.336 5.572 1 0 EKAFRN CC(C)n1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000103190197 219267446 /nfs/dbraw/zinc/26/74/46/219267446.db2.gz QITKKMXXROYYGW-HTXNQAPBSA-N 0 0 329.856 5.078 1 0 EKAFRN COc1cc(/C=C\c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000103193209 204065924 /nfs/dbraw/zinc/06/59/24/204065924.db2.gz JWCORGYYDPIQLE-PLNGDYQASA-N 0 0 339.218 5.190 1 0 EKAFRN CC(C)n1cncc1-c1cccc(OCc2ccccc2Cl)c1 ZINC000103199982 219268393 /nfs/dbraw/zinc/26/83/93/219268393.db2.gz JMHZHKWXTUIAST-UHFFFAOYSA-N 0 0 326.827 5.363 1 0 EKAFRN CC(C)n1cncc1-c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103199986 219268588 /nfs/dbraw/zinc/26/85/88/219268588.db2.gz SNLSXMKAZDQKFI-UHFFFAOYSA-N 0 0 326.827 5.363 1 0 EKAFRN CC(C)Cc1cc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1 ZINC000103202076 219269194 /nfs/dbraw/zinc/26/91/94/219269194.db2.gz LKKVXMDEJPFZRL-UHFFFAOYSA-N 0 0 345.368 5.096 1 0 EKAFRN Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000103203873 204067387 /nfs/dbraw/zinc/06/73/87/204067387.db2.gz QYQFEUWSHBUNLR-QHCPKHFHSA-N 0 0 326.443 5.659 1 0 EKAFRN CCCc1cc(C(=O)OC/C=C(\C)CCC=C(C)C)n(C(C)(C)C)n1 ZINC000103204920 219268884 /nfs/dbraw/zinc/26/88/84/219268884.db2.gz ZWCGHMUFMOUSSG-GHRIWEEISA-N 0 0 346.515 5.440 1 0 EKAFRN Cc1csc(C2=NN[C@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000103205138 219269462 /nfs/dbraw/zinc/26/94/62/219269462.db2.gz CKPIBKBWQTXCRZ-AWEZNQCLSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1csc(C2=NN[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000103205139 204068036 /nfs/dbraw/zinc/06/80/36/204068036.db2.gz CKPIBKBWQTXCRZ-CQSZACIVSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1ccc(C2=NN[C@H](c3cc4cccc(C)c4nc3Cl)C2)s1 ZINC000103205143 219269868 /nfs/dbraw/zinc/26/98/68/219269868.db2.gz IXBMKOIKNAULKS-AWEZNQCLSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1ccc(C2=NN[C@@H](c3cc4cccc(C)c4nc3Cl)C2)s1 ZINC000103205145 204067373 /nfs/dbraw/zinc/06/73/73/204067373.db2.gz IXBMKOIKNAULKS-CQSZACIVSA-N 0 0 341.867 5.005 1 0 EKAFRN Oc1ccccc1C1=Nc2ccccc2S[C@H](c2ccc(F)cc2)C1 ZINC000103205892 204068004 /nfs/dbraw/zinc/06/80/04/204068004.db2.gz WCROIGSCNRRNSN-NRFANRHFSA-N 0 0 349.430 5.889 1 0 EKAFRN Oc1ccccc1C1=Nc2ccccc2S[C@@H](c2ccc(F)cc2)C1 ZINC000103205893 219269224 /nfs/dbraw/zinc/26/92/24/219269224.db2.gz WCROIGSCNRRNSN-OAQYLSRUSA-N 0 0 349.430 5.889 1 0 EKAFRN CC(C)Oc1cc(OC(C)C)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000103207994 219270640 /nfs/dbraw/zinc/27/06/40/219270640.db2.gz YZBUGXXNJUPERV-UHFFFAOYSA-N 0 0 338.403 5.034 1 0 EKAFRN Cc1ccc(-c2nnc(-c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 ZINC000103208905 219270416 /nfs/dbraw/zinc/27/04/16/219270416.db2.gz LBNRVFHSKZBYON-UHFFFAOYSA-N 0 0 336.778 5.625 1 0 EKAFRN CCOC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1-c1ccccc1 ZINC000103209363 219270335 /nfs/dbraw/zinc/27/03/35/219270335.db2.gz FCKIRKLDUUTSQA-UHFFFAOYSA-N 0 0 348.446 5.014 1 0 EKAFRN Fc1ccc(-c2ccc(-c3nnc(-c4ccccc4Cl)o3)o2)cc1 ZINC000103210261 219270551 /nfs/dbraw/zinc/27/05/51/219270551.db2.gz GPGDKCSPIBSVCD-UHFFFAOYSA-N 0 0 340.741 5.456 1 0 EKAFRN ClC(Cl)=CCn1cc(-c2ocnc2Cl)c2ccccc21 ZINC000103213654 219270454 /nfs/dbraw/zinc/27/04/54/219270454.db2.gz LMMIRLVIWCMHBC-UHFFFAOYSA-N 0 0 327.598 5.269 1 0 EKAFRN Cc1ccsc1C1=NN[C@H](c2cc3ccc(C)cc3nc2Cl)C1 ZINC000103213685 219270456 /nfs/dbraw/zinc/27/04/56/219270456.db2.gz QJKFBJANYRVLCS-HNNXBMFYSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1ccsc1C1=NN[C@@H](c2cc3ccc(C)cc3nc2Cl)C1 ZINC000103213686 219270893 /nfs/dbraw/zinc/27/08/93/219270893.db2.gz QJKFBJANYRVLCS-OAHLLOKOSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1csc(C2=NN[C@H](c3cc4ccc(C)cc4nc3Cl)C2)c1 ZINC000103213688 204068342 /nfs/dbraw/zinc/06/83/42/204068342.db2.gz KNOQLVAZKMXONW-HNNXBMFYSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1csc(C2=NN[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)c1 ZINC000103213690 219270677 /nfs/dbraw/zinc/27/06/77/219270677.db2.gz KNOQLVAZKMXONW-OAHLLOKOSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1ccc(C2=NN[C@H](c3cc4ccc(C)cc4nc3Cl)C2)s1 ZINC000103213692 219270078 /nfs/dbraw/zinc/27/00/78/219270078.db2.gz MVRCLTUMRVFKIL-HNNXBMFYSA-N 0 0 341.867 5.005 1 0 EKAFRN Cc1ccc(C2=NN[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)s1 ZINC000103213693 219270130 /nfs/dbraw/zinc/27/01/30/219270130.db2.gz MVRCLTUMRVFKIL-OAHLLOKOSA-N 0 0 341.867 5.005 1 0 EKAFRN CO[C@@]1(c2ccccc2)C=CC(C2CCCC2)(C2CCCC2)OC1 ZINC000103215741 204067294 /nfs/dbraw/zinc/06/72/94/204067294.db2.gz KGVQCJPZMAXLCF-NRFANRHFSA-N 0 0 326.480 5.234 1 0 EKAFRN CO[C@]1(c2ccccc2)C=CC(C2CCCC2)(C2CCCC2)OC1 ZINC000103215743 204067070 /nfs/dbraw/zinc/06/70/70/204067070.db2.gz KGVQCJPZMAXLCF-OAQYLSRUSA-N 0 0 326.480 5.234 1 0 EKAFRN Oc1ccccc1-c1cc(-c2ccc(Cl)cc2Cl)[nH]c(=S)n1 ZINC000103221257 219271724 /nfs/dbraw/zinc/27/17/24/219271724.db2.gz WGOIQGOZXHVJMX-UHFFFAOYSA-N 0 0 349.242 5.486 1 0 EKAFRN O=C1O/C(=C\c2ccc(-c3ccccc3)cc2)C=C1Cc1ccccc1 ZINC000103222654 219271798 /nfs/dbraw/zinc/27/17/98/219271798.db2.gz VXCPTQAQSZJYPK-KQWNVCNZSA-N 0 0 338.406 5.420 1 0 EKAFRN C[C@H]1C[C@H](C)[C@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)O1 ZINC000103227109 219272826 /nfs/dbraw/zinc/27/28/26/219272826.db2.gz XBTNMOPAIXKVGQ-NYXXWNEKSA-N 0 0 340.507 5.432 1 0 EKAFRN C[C@@H]1C[C@H](C)[C@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)O1 ZINC000103227113 204066861 /nfs/dbraw/zinc/06/68/61/204066861.db2.gz XBTNMOPAIXKVGQ-MUBOZHMMSA-N 0 0 340.507 5.432 1 0 EKAFRN C[C@H]1C[C@H](C)[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)O1 ZINC000103227115 219272929 /nfs/dbraw/zinc/27/29/29/219272929.db2.gz XBTNMOPAIXKVGQ-YGTAYNOISA-N 0 0 340.507 5.432 1 0 EKAFRN C[C@@H]1C[C@H](C)[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)O1 ZINC000103227118 219272677 /nfs/dbraw/zinc/27/26/77/219272677.db2.gz XBTNMOPAIXKVGQ-IDXNZQRWSA-N 0 0 340.507 5.432 1 0 EKAFRN Clc1cc(Cl)cc(Nc2nc3c(s2)Cc2ccccc2-3)c1 ZINC000103228320 204067903 /nfs/dbraw/zinc/06/79/03/204067903.db2.gz ABZBKCTZESNXNY-UHFFFAOYSA-N 0 0 333.243 5.765 1 0 EKAFRN Clc1cc(Cl)cc(Nc2nc3c(s2)-c2ccccc2C3)c1 ZINC000103228327 219272778 /nfs/dbraw/zinc/27/27/78/219272778.db2.gz YJDOXWUGGMZTKL-UHFFFAOYSA-N 0 0 333.243 5.765 1 0 EKAFRN Fc1ccc(C(F)(F)F)cc1-c1csc(NC2CCCCC2)n1 ZINC000103228336 219272822 /nfs/dbraw/zinc/27/28/22/219272822.db2.gz HDDAZFDJVMZGFO-UHFFFAOYSA-N 0 0 344.377 5.713 1 0 EKAFRN Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000103229219 219272560 /nfs/dbraw/zinc/27/25/60/219272560.db2.gz NRRZWTUERXZRMH-UHFFFAOYSA-N 0 0 334.366 5.881 1 0 EKAFRN CC(C)(C)Cc1csc(N)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103229446 219272482 /nfs/dbraw/zinc/27/24/82/219272482.db2.gz VBPSMJZZSYROPX-UHFFFAOYSA-N 0 0 342.291 5.457 1 0 EKAFRN CC(C)(C)Cc1csc(N)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103229448 219272140 /nfs/dbraw/zinc/27/21/40/219272140.db2.gz HSYROQSSEAWKOV-UHFFFAOYSA-N 0 0 341.398 5.169 1 0 EKAFRN O=C(NCCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 ZINC000103231461 219272500 /nfs/dbraw/zinc/27/25/00/219272500.db2.gz HCGQWLCVONOQEZ-UHFFFAOYSA-N 0 0 340.426 5.261 1 0 EKAFRN O=C(OCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 ZINC000103231519 204069686 /nfs/dbraw/zinc/06/96/86/204069686.db2.gz GDPCONKCMTWAEN-UHFFFAOYSA-N 0 0 327.383 5.645 1 0 EKAFRN O=C(NCc1ccccc1)N1c2ccccc2C=Cc2ccccc21 ZINC000103231521 219272091 /nfs/dbraw/zinc/27/20/91/219272091.db2.gz IEVOWGKQHLFEHH-UHFFFAOYSA-N 0 0 326.399 5.218 1 0 EKAFRN CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 ZINC000103232759 219273312 /nfs/dbraw/zinc/27/33/12/219273312.db2.gz HCSPUUGFMREMHT-OAQYLSRUSA-N 0 0 344.410 5.201 1 0 EKAFRN CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 ZINC000103232762 204068597 /nfs/dbraw/zinc/06/85/97/204068597.db2.gz HCSPUUGFMREMHT-NRFANRHFSA-N 0 0 344.410 5.201 1 0 EKAFRN CC(C)CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000103235256 219273162 /nfs/dbraw/zinc/27/31/62/219273162.db2.gz YJROPBJTXCZHED-UHFFFAOYSA-N 0 0 329.252 5.102 1 0 EKAFRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1ncc[nH]1 ZINC000103244913 219274586 /nfs/dbraw/zinc/27/45/86/219274586.db2.gz ZQJUNMKUHZNGTJ-GOSISDBHSA-N 0 0 336.826 5.054 1 0 EKAFRN Cn1c2cnc1OCCCCCCCCCCCOc1ccccc1-2 ZINC000103245648 219274393 /nfs/dbraw/zinc/27/43/93/219274393.db2.gz DGYHEGRMGGZWCS-UHFFFAOYSA-N 0 0 342.483 5.369 1 0 EKAFRN O[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247408 219274293 /nfs/dbraw/zinc/27/42/93/219274293.db2.gz RGSFRNAPJDYGIT-JSPTYHBCSA-N 0 0 337.438 5.088 1 0 EKAFRN O[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247410 219274734 /nfs/dbraw/zinc/27/47/34/219274734.db2.gz RGSFRNAPJDYGIT-FHOPOIAVSA-N 0 0 337.438 5.088 1 0 EKAFRN O=C1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247441 219274725 /nfs/dbraw/zinc/27/47/25/219274725.db2.gz QKZZGHKUUSIDBB-YZQOYHPDSA-N 0 0 335.422 5.296 1 0 EKAFRN COc1ccc(NC(=O)c2oc3cc4occ(C)c4cc3c2C)cc1 ZINC000103248324 219275408 /nfs/dbraw/zinc/27/54/08/219275408.db2.gz MKJIMQDAKGUTKU-UHFFFAOYSA-N 0 0 335.359 5.057 1 0 EKAFRN Cc1coc2cc3oc(C(=O)Nc4ccc(Cl)cc4)c(C)c3cc12 ZINC000103248327 204069578 /nfs/dbraw/zinc/06/95/78/204069578.db2.gz RSLIIAAGOXDVNI-UHFFFAOYSA-N 0 0 339.778 5.702 1 0 EKAFRN CCCCc1cc2ccccc2nc1-c1cc(-c2ccccc2)no1 ZINC000103251879 204069375 /nfs/dbraw/zinc/06/93/75/204069375.db2.gz GGKLAQATLNJSKA-UHFFFAOYSA-N 0 0 328.415 5.899 1 0 EKAFRN CCCCCc1cc2ccccc2nc1-c1cc(-c2ccccc2)no1 ZINC000103251881 219275545 /nfs/dbraw/zinc/27/55/45/219275545.db2.gz XTHHXKKPBDJKQA-UHFFFAOYSA-N 0 0 342.442 6.290 1 0 EKAFRN CCCc1cc2ccccc2nc1-c1cc(-c2ccc(F)cc2)no1 ZINC000103251887 219275751 /nfs/dbraw/zinc/27/57/51/219275751.db2.gz VGXORELBUSJASA-UHFFFAOYSA-N 0 0 332.378 5.648 1 0 EKAFRN CCCCc1cc2ccccc2nc1-c1cc(-c2ccc(F)cc2)no1 ZINC000103251889 219275203 /nfs/dbraw/zinc/27/52/03/219275203.db2.gz LJFNWKFTZVNKML-UHFFFAOYSA-N 0 0 346.405 6.039 1 0 EKAFRN CCCc1cc2ccccc2nc1-c1cc(-c2ccc(C)cc2)no1 ZINC000103251892 219275583 /nfs/dbraw/zinc/27/55/83/219275583.db2.gz GSEJRDKJXBBIFI-UHFFFAOYSA-N 0 0 328.415 5.818 1 0 EKAFRN CCCCc1cc2ccccc2nc1-c1cc(-c2ccc(C)cc2)no1 ZINC000103251893 219275340 /nfs/dbraw/zinc/27/53/40/219275340.db2.gz HQJDZHRRYYXQJW-UHFFFAOYSA-N 0 0 342.442 6.208 1 0 EKAFRN CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 ZINC000103255312 219276920 /nfs/dbraw/zinc/27/69/20/219276920.db2.gz HWDGFXFLCBGAAK-KRWDZBQOSA-N 0 0 347.289 6.347 1 0 EKAFRN CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000103255314 219276364 /nfs/dbraw/zinc/27/63/64/219276364.db2.gz HWDGFXFLCBGAAK-QGZVFWFLSA-N 0 0 347.289 6.347 1 0 EKAFRN COc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C)cc2)n1 ZINC000103259690 219278414 /nfs/dbraw/zinc/27/84/14/219278414.db2.gz 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329.424 5.334 3 0 EKAFRN Fc1ccc2cnc(-c3ccccc3)c(-c3cc(F)cc(F)c3)c2c1 ZINC000036388758 202324092 /nfs/dbraw/zinc/32/40/92/202324092.db2.gz FUECZKGNOJNFEM-UHFFFAOYSA-N 0 0 335.328 5.986 3 0 EKAFRN COc1ccccc1-c1oc2ccccc2c1-c1ccc2c(c1)OCO2 ZINC000036388956 213093158 /nfs/dbraw/zinc/09/31/58/213093158.db2.gz CKOYRYPZEZRBCO-UHFFFAOYSA-N 0 0 344.366 5.504 3 0 EKAFRN COc1ccc(-c2c3ccccc3oc2-c2ccccc2OC)cn1 ZINC000036388957 213093827 /nfs/dbraw/zinc/09/38/27/213093827.db2.gz GPAFAWYOVODGQU-UHFFFAOYSA-N 0 0 331.371 5.179 3 0 EKAFRN COc1ccc(-c2c3ccccc3oc2-c2ccccc2OC)cc1F ZINC000036388958 202325091 /nfs/dbraw/zinc/32/50/91/202325091.db2.gz SYAIRAPJWGZHRK-UHFFFAOYSA-N 0 0 348.373 5.923 3 0 EKAFRN COc1ccccc1-c1oc2ccccc2c1-c1ccc2cc[nH]c2c1 ZINC000036388960 202325450 /nfs/dbraw/zinc/32/54/50/202325450.db2.gz XTGKMRAJCZTEQO-UHFFFAOYSA-N 0 0 339.394 6.257 3 0 EKAFRN COCc1ccc(-c2c3ccccc3sc2-c2ccsc2)cc1 ZINC000036388977 213093733 /nfs/dbraw/zinc/09/37/33/213093733.db2.gz NPEAWJPJGHJESY-UHFFFAOYSA-N 0 0 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ZINC000061947988 214689159 /nfs/dbraw/zinc/68/91/59/214689159.db2.gz XWBGXJBMJKPTGC-IZZDOVSWSA-N 0 0 343.451 6.142 3 0 EKAFRN O=c1cc(-c2ccsc2)oc2ccc(-c3ccc4cc[nH]c4c3)cc12 ZINC000061948122 214689189 /nfs/dbraw/zinc/68/91/89/214689189.db2.gz JZYLGUXQBZSVHP-UHFFFAOYSA-N 0 0 343.407 5.670 3 0 EKAFRN COc1ccccc1Cc1c(C2CCCCC2)nc2ccc(C)cn21 ZINC000072103045 216008439 /nfs/dbraw/zinc/00/84/39/216008439.db2.gz RLUBDGBLOPBNLZ-UHFFFAOYSA-N 0 0 334.463 5.290 3 0 EKAFRN CCCc1nc2c3ccccc3ccn2c1Cc1ccc(OC)cc1C ZINC000072103474 216008052 /nfs/dbraw/zinc/00/80/52/216008052.db2.gz DPSPXLGYKOHREV-UHFFFAOYSA-N 0 0 344.458 5.348 3 0 EKAFRN Fc1cccc(Cc2c(C3CCCCC3)nc3ccc(Cl)cn32)c1 ZINC000072119004 203163694 /nfs/dbraw/zinc/16/36/94/203163694.db2.gz BCJDZUXWFXUUCR-UHFFFAOYSA-N 0 0 342.845 5.765 3 0 EKAFRN CCCc1nc2c(C)cc(Br)cn2c1Cc1ccsc1 ZINC000072119005 216012731 /nfs/dbraw/zinc/01/27/31/216012731.db2.gz FEXALKNDXQXMPA-UHFFFAOYSA-N 0 0 349.297 5.010 3 0 EKAFRN O=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2[C@H]2CCCCN12 ZINC000072122030 216015104 /nfs/dbraw/zinc/01/51/04/216015104.db2.gz FGNCSVAQPOYSKF-MRXNPFEDSA-N 0 0 331.337 5.053 3 0 EKAFRN O=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2[C@@H]2CCCCN12 ZINC000072122031 216015654 /nfs/dbraw/zinc/01/56/54/216015654.db2.gz FGNCSVAQPOYSKF-INIZCTEOSA-N 0 0 331.337 5.053 3 0 EKAFRN COc1ccc(Cc2c(C(C)(C)C)nc3ccc(Cl)cn32)c(C)c1 ZINC000072128719 216019454 /nfs/dbraw/zinc/01/94/54/216019454.db2.gz SEDGLMOQZHOEJZ-UHFFFAOYSA-N 0 0 342.870 5.193 3 0 EKAFRN Fc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1 ZINC000072134879 216023111 /nfs/dbraw/zinc/02/31/11/216023111.db2.gz KFKWLAYGLQRAOX-UHFFFAOYSA-N 0 0 342.826 5.446 3 0 EKAFRN COc1ccccc1Cc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000072134954 216023179 /nfs/dbraw/zinc/02/31/79/216023179.db2.gz VQSVCHCLHCICLZ-UHFFFAOYSA-N 0 0 348.833 5.254 3 0 EKAFRN Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1 ZINC000072134980 216023043 /nfs/dbraw/zinc/02/30/43/216023043.db2.gz IHLYXHVEFQZMBE-UHFFFAOYSA-N 0 0 338.863 5.615 3 0 EKAFRN Fc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1 ZINC000072135114 216024191 /nfs/dbraw/zinc/02/41/91/216024191.db2.gz QABSCKLJBHARTE-UHFFFAOYSA-N 0 0 342.373 5.477 3 0 EKAFRN Clc1ccc2nc(C3CCCCC3)c(Cc3ccsc3)n2c1 ZINC000072136358 216024476 /nfs/dbraw/zinc/02/44/76/216024476.db2.gz UQQUXXGQOFPQNB-UHFFFAOYSA-N 0 0 330.884 5.688 3 0 EKAFRN Cc1ccc2nc(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c1 ZINC000072136428 203168394 /nfs/dbraw/zinc/16/83/94/203168394.db2.gz HTRRCYDRNKMZEQ-UHFFFAOYSA-N 0 0 338.882 6.086 3 0 EKAFRN CC(C)(C)Cc1c(-c2cccc(Cl)c2)nc2ccc(Cl)cn21 ZINC000072136559 216025413 /nfs/dbraw/zinc/02/54/13/216025413.db2.gz FKMKYJPJVKGITC-UHFFFAOYSA-N 0 0 333.262 5.897 3 0 EKAFRN CCCc1nc2c3ccccc3ccn2c1Cc1cccc(Cl)c1 ZINC000072136769 216024635 /nfs/dbraw/zinc/02/46/35/216024635.db2.gz SIYULYHGDANINA-UHFFFAOYSA-N 0 0 334.850 5.684 3 0 EKAFRN c1cc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)cs1 ZINC000072137502 216025099 /nfs/dbraw/zinc/02/50/99/216025099.db2.gz OAYVFFGBYOBGCV-UHFFFAOYSA-N 0 0 340.451 5.807 3 0 EKAFRN Cc1ccc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c1 ZINC000072137581 203167570 /nfs/dbraw/zinc/16/75/70/203167570.db2.gz RASDOUNUOPFFQD-UHFFFAOYSA-N 0 0 338.882 5.935 3 0 EKAFRN CC(C)(C)Cc1c(C2CCCCC2)nc2ccc(Br)cn21 ZINC000072137621 216025419 /nfs/dbraw/zinc/02/54/19/216025419.db2.gz SGDADDKPEFDVEI-UHFFFAOYSA-N 0 0 349.316 5.733 3 0 EKAFRN Cc1ccc2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c1 ZINC000072137692 216024657 /nfs/dbraw/zinc/02/46/57/216024657.db2.gz TXCQYACIASVWPZ-UHFFFAOYSA-N 0 0 332.834 5.554 3 0 EKAFRN Clc1cccc(Cc2c(-c3ccco3)nc3ccc(Cl)cn32)c1 ZINC000072137807 216024803 /nfs/dbraw/zinc/02/48/03/216024803.db2.gz BRIXXSCSWZQOIJ-UHFFFAOYSA-N 0 0 343.213 5.492 3 0 EKAFRN Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(C)cn32)cc1 ZINC000072137931 203167938 /nfs/dbraw/zinc/16/79/38/203167938.db2.gz TVDGOWLQGKKKPG-UHFFFAOYSA-N 0 0 346.861 5.862 3 0 EKAFRN COc1ccccc1Cc1c(C(C)(C)C)nc2c3ccccc3ccn12 ZINC000072138434 216026193 /nfs/dbraw/zinc/02/61/93/216026193.db2.gz QVTGBMWZDSMLEZ-UHFFFAOYSA-N 0 0 344.458 5.384 3 0 EKAFRN Cc1ccc(Cc2c(C3CCCCC3)nc3ccc(Cl)cn32)cc1 ZINC000072138515 216026248 /nfs/dbraw/zinc/02/62/48/216026248.db2.gz CGWNOGAQWRDTJM-UHFFFAOYSA-N 0 0 338.882 5.935 3 0 EKAFRN Cc1ccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)cc1 ZINC000072139508 216025812 /nfs/dbraw/zinc/02/58/12/216025812.db2.gz SFUVXMKSGPRWDY-UHFFFAOYSA-N 0 0 338.410 5.647 3 0 EKAFRN Cc1ccc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000072141341 203168654 /nfs/dbraw/zinc/16/86/54/203168654.db2.gz BQSVSICLBJSFKX-UHFFFAOYSA-N 0 0 346.396 5.550 3 0 EKAFRN CCCc1nc2ccc(C)cn2c1Cc1ccccc1C(F)(F)F ZINC000072141375 216027775 /nfs/dbraw/zinc/02/77/75/216027775.db2.gz NYGSSIWSNADTEQ-UHFFFAOYSA-N 0 0 332.369 5.205 3 0 EKAFRN Fc1cccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn32)c1 ZINC000072141640 216027726 /nfs/dbraw/zinc/02/77/26/216027726.db2.gz MSJVSRLMCUCSHC-UHFFFAOYSA-N 0 0 336.797 5.385 3 0 EKAFRN C[C@@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 ZINC000073313070 203263871 /nfs/dbraw/zinc/26/38/71/203263871.db2.gz SKMFQTAOSOOOIV-BEFAXECRSA-N 0 0 344.499 5.296 3 0 EKAFRN C[C@H]1CCCC[C@@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 ZINC000073313072 216376948 /nfs/dbraw/zinc/37/69/48/216376948.db2.gz SKMFQTAOSOOOIV-KXBFYZLASA-N 0 0 344.499 5.296 3 0 EKAFRN C[C@@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 ZINC000073313075 216376510 /nfs/dbraw/zinc/37/65/10/216376510.db2.gz SKMFQTAOSOOOIV-DNVCBOLYSA-N 0 0 344.499 5.296 3 0 EKAFRN C[C@H]1CCCC[C@H]1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 ZINC000073313078 216377045 /nfs/dbraw/zinc/37/70/45/216377045.db2.gz SKMFQTAOSOOOIV-HNAYVOBHSA-N 0 0 344.499 5.296 3 0 EKAFRN Cc1cc(C)n2c(nc(-c3cc4ccccc4o3)c2NC2CCCC2)n1 ZINC000095599689 218444879 /nfs/dbraw/zinc/44/48/79/218444879.db2.gz KOTKEOPVHGKCMR-UHFFFAOYSA-N 0 0 346.434 5.114 3 0 EKAFRN CCCCc1c(-c2ccccc2OC)ncn1[C@H](C)c1ccccc1 ZINC000169303125 529014197 /nfs/dbraw/zinc/01/41/97/529014197.db2.gz CWCAIAPSHJFRJK-QGZVFWFLSA-N 0 0 334.463 5.511 3 0 EKAFRN COc1ccccc1CCn1cnc(-c2cccc(F)c2)c1C(C)C ZINC000169304151 534049057 /nfs/dbraw/zinc/04/90/57/534049057.db2.gz XAXYSOIUXVBOQN-UHFFFAOYSA-N 0 0 338.426 5.064 3 0 EKAFRN CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(C)cc1 ZINC000169305028 529014389 /nfs/dbraw/zinc/01/43/89/529014389.db2.gz JZMUKMHKYQIWNT-UHFFFAOYSA-N 0 0 334.463 5.258 3 0 EKAFRN