smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H](C[C@@H](OC)n1nnc2ccccc21)n1nnc2ccccc21 ZINC000005356473 1097467556 /nfs/dbraw/zinc/46/75/56/1097467556.db2.gz RXQRKOYGDKYFNW-IAGOWNOFSA-N 0 0 338.371 2.556 50 0 EFAARN O=S(=O)(NC[C@@H](c1ccsc1)c1ccco1)c1cccnc1 ZINC000675007680 1099616386 /nfs/dbraw/zinc/61/63/86/1099616386.db2.gz GZGPPMDGZFGECT-AWEZNQCLSA-N 0 0 334.422 2.847 50 0 EFAARN O=C(NCc1cncc(-c2cccnc2)c1)c1ccc2c(c1)OCO2 ZINC000675008215 1099617671 /nfs/dbraw/zinc/61/76/71/1099617671.db2.gz JEGZBTFYFWKFJD-UHFFFAOYSA-N 0 0 333.347 2.802 50 0 EFAARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H](Oc2cnsn2)C1 ZINC000675008084 1099617882 /nfs/dbraw/zinc/61/78/82/1099617882.db2.gz XCNDQDPWBJSTMX-OAHLLOKOSA-N 0 0 340.408 2.622 50 0 EFAARN COc1ccc(S(=O)(=O)N(C)Cc2c(C)noc2C)cc1Cl ZINC000042159352 1100068331 /nfs/dbraw/zinc/06/83/31/1100068331.db2.gz MWAVYZRQKYEAFK-UHFFFAOYSA-N 0 0 344.820 2.774 50 0 EFAARN O=c1cc(CN2CCC[C@@H]2c2ccc(F)cc2)nc2c(O)cccn12 ZINC000072158431 1102104446 /nfs/dbraw/zinc/10/44/46/1102104446.db2.gz RCBPDHCBDCBYHY-MRXNPFEDSA-N 0 0 339.370 2.876 50 0 EFAARN COc1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cc1Cl ZINC000074801557 1102492383 /nfs/dbraw/zinc/49/23/83/1102492383.db2.gz LYPVHKGPWWDUNA-UHFFFAOYSA-N 0 0 346.861 2.934 50 0 EFAARN Cc1nnsc1C(=O)N1CCc2[nH]nc(CC3CCCCC3)c2C1 ZINC000082039354 1109772346 /nfs/dbraw/zinc/77/23/46/1109772346.db2.gz VCZRKQSRIAJMKE-UHFFFAOYSA-N 0 0 345.472 2.891 50 0 EFAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1 ZINC000006752794 201695372 /nfs/dbraw/zinc/69/53/72/201695372.db2.gz PKHZIGSOEHQWTD-LJQANCHMSA-N 0 0 349.390 2.974 50 0 EFAARN COc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CCOC2)cc1 ZINC000097696306 219048721 /nfs/dbraw/zinc/04/87/21/219048721.db2.gz WPXFVCSTIJOELP-INIZCTEOSA-N 0 0 326.396 2.656 50 0 EFAARN Cc1nc2ncccc2c(N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000095361524 282130909 /nfs/dbraw/zinc/13/09/09/282130909.db2.gz IHCBYGVLKFOYSU-UHFFFAOYSA-N 0 0 346.394 2.801 50 0 EFAARN Cc1nc2sc3c(c2c2nc(C(=O)NCC(C)C)nn21)CCCC3 ZINC000002330648 282138791 /nfs/dbraw/zinc/13/87/91/282138791.db2.gz ZYYFQJHFAJHGMU-UHFFFAOYSA-N 0 0 343.456 2.912 50 0 EFAARN CNC(=O)c1[nH]nc2c1[C@H](c1sc3ccccc3c1C)CC(=O)N2 ZINC000065387272 290636279 /nfs/dbraw/zinc/63/62/79/290636279.db2.gz COKBEWIERHDYKZ-SNVBAGLBSA-N 0 0 340.408 2.767 50 0 EFAARN Cc1cccnc1NC(=O)[C@@H](C)n1nc(-c2cccs2)ccc1=O ZINC000056905912 214394444 /nfs/dbraw/zinc/39/44/44/214394444.db2.gz NJEFPXHSGQBWCZ-GFCCVEGCSA-N 0 0 340.408 2.875 50 0 EFAARN COC[C@@H]1CCCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000056907531 214395156 /nfs/dbraw/zinc/39/51/56/214395156.db2.gz ZVYHGSABBOQBLP-GFCCVEGCSA-N 0 0 338.404 2.603 50 0 EFAARN O=C(c1ccc2nsnc2c1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000056923966 214395425 /nfs/dbraw/zinc/39/54/25/214395425.db2.gz XLRAGQZSHAUCRC-UHFFFAOYSA-N 0 0 335.392 2.807 50 0 EFAARN O=C(/C=C/c1cccs1)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000056921497 214395483 /nfs/dbraw/zinc/39/54/83/214395483.db2.gz XMNXLAAELQORLM-LLYBFZRZSA-N 0 0 348.493 2.701 50 0 EFAARN CSc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@H]2C(C)=O)cc1 ZINC000239328927 295678476 /nfs/dbraw/zinc/67/84/76/295678476.db2.gz JVLMCWYSBJVUFE-ZJPYXAASSA-N 0 0 334.437 2.626 50 0 EFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 ZINC000031819269 282241289 /nfs/dbraw/zinc/24/12/89/282241289.db2.gz FWCFTIRGMDVWNR-GFCCVEGCSA-N 0 0 337.339 2.506 50 0 EFAARN CCC(CC)[C@H](C(=O)Nc1cnc2onc(C)c2c1)N1CCOCC1 ZINC000266098759 282258261 /nfs/dbraw/zinc/25/82/61/282258261.db2.gz KHSZLPCKQVZVSZ-MRXNPFEDSA-N 0 0 346.431 2.607 50 0 EFAARN COc1ccc(C)cc1NC(=O)c1cnc2sc(C)cn2c1=O ZINC000004517322 210211808 /nfs/dbraw/zinc/21/18/08/210211808.db2.gz UWHJYMRBEBVZSN-UHFFFAOYSA-N 0 0 329.381 2.634 50 0 EFAARN CCOC(=O)CCC(=O)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000049031486 213979469 /nfs/dbraw/zinc/97/94/69/213979469.db2.gz LBQLOVQYTGQDMO-QGZVFWFLSA-N 0 0 333.428 2.785 50 0 EFAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000007609903 201723702 /nfs/dbraw/zinc/72/37/02/201723702.db2.gz XRXWDNSSPWSKHP-UHFFFAOYSA-N 0 0 348.424 2.506 50 0 EFAARN CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1 ZINC000007618291 201724050 /nfs/dbraw/zinc/72/40/50/201724050.db2.gz BBUOBJZATCZBPW-UHFFFAOYSA-N 0 0 333.442 2.537 50 0 EFAARN O=C(CSc1ccc(-c2ccncc2)nn1)Nc1nccs1 ZINC000004272440 210156857 /nfs/dbraw/zinc/15/68/57/210156857.db2.gz KSBUPGBZOQCWDO-UHFFFAOYSA-N 0 0 329.410 2.726 50 0 EFAARN Cc1ccccc1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000035598269 201746730 /nfs/dbraw/zinc/74/67/30/201746730.db2.gz SXOPMFNKGAXBJT-UHFFFAOYSA-N 0 0 334.423 2.829 50 0 EFAARN COc1cc(S(=O)(=O)n2ccc(C)n2)c(C)cc1Br ZINC000008714875 201758595 /nfs/dbraw/zinc/75/85/95/201758595.db2.gz DBYJXLRHAIEKSO-UHFFFAOYSA-N 0 0 345.218 2.508 50 0 EFAARN O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000008752360 201760756 /nfs/dbraw/zinc/76/07/56/201760756.db2.gz QHLGVTNBRTVHBV-GFCCVEGCSA-N 0 0 333.388 2.773 50 0 EFAARN Cc1nnc2n1C[C@H](NC(=O)c1oc3ccc(F)cc3c1C)CC2 ZINC000097198929 282362802 /nfs/dbraw/zinc/36/28/02/282362802.db2.gz RPFDOTAYFGQSRM-GFCCVEGCSA-N 0 0 328.347 2.525 50 0 EFAARN C[C@@H]1Cc2cc(CNC(=O)c3ccc4c(c3)OCCO4)ccc2O1 ZINC000009029040 201767064 /nfs/dbraw/zinc/76/70/64/201767064.db2.gz QNIDVFFCRCCWFJ-GFCCVEGCSA-N 0 0 325.364 2.711 50 0 EFAARN COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009205594 201770502 /nfs/dbraw/zinc/77/05/02/201770502.db2.gz DGNKMRHBIOMFDW-UHFFFAOYSA-N 0 0 335.363 2.802 50 0 EFAARN CCc1ccc(N2C[C@@H](c3nnc(NC(C)=O)s3)CC2=O)cc1 ZINC000009198192 201770687 /nfs/dbraw/zinc/77/06/87/201770687.db2.gz DRWJIIYWUIMPCB-LBPRGKRZSA-N 0 0 330.413 2.579 50 0 EFAARN CCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 ZINC000009224777 201771432 /nfs/dbraw/zinc/77/14/32/201771432.db2.gz YGQZQJODLZGDGM-LBPRGKRZSA-N 0 0 344.440 2.970 50 0 EFAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1N ZINC000009306577 201773542 /nfs/dbraw/zinc/77/35/42/201773542.db2.gz OTDAVCSQZQUBRL-UHFFFAOYSA-N 0 0 336.457 2.865 50 0 EFAARN C[C@@H](C(=O)NC[C@@H](O)CO)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009476754 201779373 /nfs/dbraw/zinc/77/93/73/201779373.db2.gz FODKICMUVCTLIG-ZWNOBZJWSA-N 0 0 346.814 2.547 50 0 EFAARN O=C(Nc1nccs1)c1cc2c(cc1Br)OCCO2 ZINC000009668236 201785058 /nfs/dbraw/zinc/78/50/58/201785058.db2.gz HOHMLJULWWYVHX-UHFFFAOYSA-N 0 0 341.186 2.929 50 0 EFAARN O=C(Nc1cccc(O)c1)[C@H]1CS[C@@H]2c3ccccc3C(=O)N21 ZINC000036579893 201786257 /nfs/dbraw/zinc/78/62/57/201786257.db2.gz ZLKJDJOUSSXDJS-RHSMWYFYSA-N 0 0 326.377 2.601 50 0 EFAARN CCOC(=O)[C@@H](C)Sc1ccc2nnc(-c3ccccc3)n2n1 ZINC000004164225 210137184 /nfs/dbraw/zinc/13/71/84/210137184.db2.gz ORXHBCIGJLDUNO-LLVKDONJSA-N 0 0 328.397 2.835 50 0 EFAARN O=C(CSc1cc(N2CCCC2)ncn1)OCc1ccccc1 ZINC000036708501 201788353 /nfs/dbraw/zinc/78/83/53/201788353.db2.gz JXNOWDHJMBAAAN-UHFFFAOYSA-N 0 0 329.425 2.912 50 0 EFAARN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000010283865 201796416 /nfs/dbraw/zinc/79/64/16/201796416.db2.gz LAEXTEDOITVLEM-UHFFFAOYSA-N 0 0 336.413 2.743 50 0 EFAARN CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000010363190 201796849 /nfs/dbraw/zinc/79/68/49/201796849.db2.gz ZDZBRRCDERVTBH-UHFFFAOYSA-N 0 0 338.816 2.642 50 0 EFAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000010302208 201797399 /nfs/dbraw/zinc/79/73/99/201797399.db2.gz NNBFPEXWPNZGPA-OAHLLOKOSA-N 0 0 338.473 2.810 50 0 EFAARN Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)ccc1Cl ZINC000010682625 201801554 /nfs/dbraw/zinc/80/15/54/201801554.db2.gz PKIMPABWNUGZLW-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN Cc1cc(NC(=O)[C@@H](Sc2nncn2C)c2ccccc2)no1 ZINC000010861621 201802548 /nfs/dbraw/zinc/80/25/48/201802548.db2.gz DMHOLTUUTVHWMM-ZDUSSCGKSA-N 0 0 329.385 2.584 50 0 EFAARN COc1cccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000011496007 201808999 /nfs/dbraw/zinc/80/89/99/201808999.db2.gz ILESQUNBGOEGCJ-GFCCVEGCSA-N 0 0 331.343 2.869 50 0 EFAARN CN(Cc1ccco1)Cc1nnc(SCc2ccncc2)n1C ZINC000011785436 201814792 /nfs/dbraw/zinc/81/47/92/201814792.db2.gz RTHGIDYUKQKVBE-UHFFFAOYSA-N 0 0 329.429 2.727 50 0 EFAARN CC(C)C1=NO[C@@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)C1 ZINC000011820364 201816842 /nfs/dbraw/zinc/81/68/42/201816842.db2.gz YKSGPDJQFBLYCA-QGZVFWFLSA-N 0 0 338.411 2.762 50 0 EFAARN Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)s1 ZINC000011955088 201821331 /nfs/dbraw/zinc/82/13/31/201821331.db2.gz APGGIBFMOIABNG-CQSZACIVSA-N 0 0 334.485 2.896 50 0 EFAARN O=C1CCCN1c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 ZINC000012001863 201822399 /nfs/dbraw/zinc/82/23/99/201822399.db2.gz IRLOWJXFZOJJQQ-UHFFFAOYSA-N 0 0 348.468 2.982 50 0 EFAARN O=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)C1CCCCC1 ZINC000012073449 201823701 /nfs/dbraw/zinc/82/37/01/201823701.db2.gz GTKWQNIWCHLXFP-KRWDZBQOSA-N 0 0 332.419 2.666 50 0 EFAARN O=C(NCc1cccnc1)c1coc(COc2cccc(F)c2)n1 ZINC000012075008 201823719 /nfs/dbraw/zinc/82/37/19/201823719.db2.gz KZYMERIZOIOLMJ-UHFFFAOYSA-N 0 0 327.315 2.718 50 0 EFAARN COC(=O)CCC(=O)N[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012050725 201823855 /nfs/dbraw/zinc/82/38/55/201823855.db2.gz AHAJHPUNIFHLHB-CYBMUJFWSA-N 0 0 347.459 2.857 50 0 EFAARN CCCNC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000012138475 201829006 /nfs/dbraw/zinc/82/90/06/201829006.db2.gz BEZCAJVEBLXYPN-UHFFFAOYSA-N 0 0 342.395 2.853 50 0 EFAARN CCCCNC(=O)CC[C@]1(Cc2ccc(OC)cc2)CCC(=O)N1 ZINC000012244779 201834332 /nfs/dbraw/zinc/83/43/32/201834332.db2.gz OJPOMCAXPQHYIU-LJQANCHMSA-N 0 0 332.444 2.583 50 0 EFAARN CSc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 ZINC000012323970 201838723 /nfs/dbraw/zinc/83/87/23/201838723.db2.gz LNMBUTCEKDKMMI-UHFFFAOYSA-N 0 0 337.455 2.867 50 0 EFAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)NCCc1ccco1 ZINC000012391381 201843208 /nfs/dbraw/zinc/84/32/08/201843208.db2.gz NWFDVDFQJMBYLF-INIZCTEOSA-N 0 0 344.436 2.625 50 0 EFAARN O=C(CCS[C@H]1CCc2ccccc2NC1=O)NCc1ccco1 ZINC000012389059 201843528 /nfs/dbraw/zinc/84/35/28/201843528.db2.gz QNLAVMCMDTYGEW-INIZCTEOSA-N 0 0 344.436 2.973 50 0 EFAARN O=C(CCc1cn[nH]c1)N1CCO[C@H](CCCc2ccccc2)C1 ZINC000012385655 201844130 /nfs/dbraw/zinc/84/41/30/201844130.db2.gz ZROLLFDNHQEORE-GOSISDBHSA-N 0 0 327.428 2.593 50 0 EFAARN CCCn1nc(C)c2c1nc(-c1cnn(C)c1C)cc2C(=O)OC ZINC000012396860 201844147 /nfs/dbraw/zinc/84/41/47/201844147.db2.gz CNGKZSJXDXFWJX-UHFFFAOYSA-N 0 0 327.388 2.645 50 0 EFAARN CCCO[C@](NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000012411225 201844512 /nfs/dbraw/zinc/84/45/12/201844512.db2.gz PIEPGKAKPDFWGY-CQSZACIVSA-N 0 0 333.306 2.665 50 0 EFAARN O=C1C[C@@H](c2nc(-c3ccccc3)no2)CN1c1ccc2c(c1)OCO2 ZINC000012416011 201846118 /nfs/dbraw/zinc/84/61/18/201846118.db2.gz OHXWGZMNOAREAS-CYBMUJFWSA-N 0 0 349.346 2.986 50 0 EFAARN Cc1ncsc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000012437951 201847466 /nfs/dbraw/zinc/84/74/66/201847466.db2.gz JWWNEKFDXAXRAG-GFCCVEGCSA-N 0 0 349.843 2.636 50 0 EFAARN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000012476912 201850613 /nfs/dbraw/zinc/85/06/13/201850613.db2.gz UPUYBYQDCSKMRD-CYBMUJFWSA-N 0 0 340.345 2.723 50 0 EFAARN CCOC(=O)c1ccc(CNc2nncc(-c3ccc(C)o3)n2)o1 ZINC000012717011 201861180 /nfs/dbraw/zinc/86/11/80/201861180.db2.gz UBWFXNHODUAVFR-UHFFFAOYSA-N 0 0 328.328 2.822 50 0 EFAARN COc1cccc(OCc2nc(C(=O)NCC(F)(F)F)co2)c1 ZINC000012710263 201861997 /nfs/dbraw/zinc/86/19/97/201861997.db2.gz HWTKOTHYGZFKDJ-UHFFFAOYSA-N 0 0 330.262 2.554 50 0 EFAARN CCc1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000012865783 201872676 /nfs/dbraw/zinc/87/26/76/201872676.db2.gz YYUZYFUTUWPKBV-UHFFFAOYSA-N 0 0 332.425 2.556 50 0 EFAARN CCCCNC(=O)[C@@H](C)Sc1nc2c3ccccc3ncn2n1 ZINC000012981328 201879720 /nfs/dbraw/zinc/87/97/20/201879720.db2.gz ASAFXIJVUWAJST-LLVKDONJSA-N 0 0 329.429 2.674 50 0 EFAARN CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2C)c1N ZINC000013655994 201907206 /nfs/dbraw/zinc/90/72/06/201907206.db2.gz RPYDVZSIHQBEFS-UHFFFAOYSA-N 0 0 337.383 2.809 50 0 EFAARN CCOc1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000013669984 201907216 /nfs/dbraw/zinc/90/72/16/201907216.db2.gz 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CCOC(=O)N1CCN(CC(=O)Nc2cccc3ccccc32)CC1 ZINC000036075362 202313310 /nfs/dbraw/zinc/31/33/10/202313310.db2.gz KEMKOMWKQUXQAA-UHFFFAOYSA-N 0 0 341.411 2.552 50 0 EFAARN O=C(CC1(Cn2cnnn2)CCCCC1)NCc1ccccc1Cl ZINC000036354153 202322510 /nfs/dbraw/zinc/32/25/10/202322510.db2.gz IBYKHZPKFLORMS-UHFFFAOYSA-N 0 0 347.850 2.984 50 0 EFAARN C[C@]1(C(=O)NCc2nc3ccccc3[nH]2)Oc2ccccc2NC1=O ZINC000036359007 202322519 /nfs/dbraw/zinc/32/25/19/202322519.db2.gz FRLAHXNDXSZJMX-GOSISDBHSA-N 0 0 336.351 2.618 50 0 EFAARN Cc1sc(-n2cnnn2)c(C(=O)NCc2ccccc2Cl)c1C ZINC000036359821 202322566 /nfs/dbraw/zinc/32/25/66/202322566.db2.gz MXOSPRABEWCLCH-UHFFFAOYSA-N 0 0 347.831 2.924 50 0 EFAARN CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)s1 ZINC000036352842 202322863 /nfs/dbraw/zinc/32/28/63/202322863.db2.gz SEKNUNGCWAMHLR-TZMCWYRMSA-N 0 0 344.440 2.820 50 0 EFAARN CC(C)n1ncc2c1nc1c(c2C(=O)NCc2ccncc2)CCC1 ZINC000036354064 202322967 /nfs/dbraw/zinc/32/29/67/202322967.db2.gz LLMAXNHVQPFNRV-UHFFFAOYSA-N 0 0 335.411 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/nfs/dbraw/zinc/32/63/94/202326394.db2.gz WQCDUOAKABMTHG-SNVBAGLBSA-N 0 0 341.337 2.795 50 0 EFAARN O=C(Nc1ccncc1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000036615378 202327170 /nfs/dbraw/zinc/32/71/70/202327170.db2.gz TTXMJOAFWYCONZ-CQSZACIVSA-N 0 0 346.184 2.976 50 0 EFAARN O=S(=O)(NCc1cc2c(s1)CCCC2)c1cnn(C(F)F)c1 ZINC000036615125 202327462 /nfs/dbraw/zinc/32/74/62/202327462.db2.gz YHTDBNNVUZAGAM-UHFFFAOYSA-N 0 0 347.412 2.697 50 0 EFAARN CC(C)n1ccc(NC(=O)c2cc(-c3ccccc3)nc3ncnn32)n1 ZINC000036619478 202327665 /nfs/dbraw/zinc/32/76/65/202327665.db2.gz RDYZAZZJHUPJAX-UHFFFAOYSA-N 0 0 347.382 2.821 50 0 EFAARN O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc2nsnc2c1 ZINC000070966537 202339065 /nfs/dbraw/zinc/33/90/65/202339065.db2.gz DVOLEJQNUREZSJ-GOSISDBHSA-N 0 0 339.420 2.719 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070966330 202339093 /nfs/dbraw/zinc/33/90/93/202339093.db2.gz OZRFPJQBCDFOBH-QRWLVFNGSA-N 0 0 325.408 2.868 50 0 EFAARN O=S(=O)(/C=C/c1ccccc1)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070967626 202339435 /nfs/dbraw/zinc/33/94/35/202339435.db2.gz ZPHRDAJREPIIGE-KQDNUWKFSA-N 0 0 343.448 2.875 50 0 EFAARN CCc1nc(NC(=O)CN2CCC[C@H](c3ccnn3C)C2)sc1C ZINC000072270578 202359411 /nfs/dbraw/zinc/35/94/11/202359411.db2.gz RGEQZXJJKVIVIV-ZDUSSCGKSA-N 0 0 347.488 2.566 50 0 EFAARN O=C(CN1CCC[C@H](c2cc[nH]n2)C1)NC1(c2ccccc2)CCC1 ZINC000072270732 202360205 /nfs/dbraw/zinc/36/02/05/202360205.db2.gz WMIHIYWDVWFZQF-INIZCTEOSA-N 0 0 338.455 2.785 50 0 EFAARN Cc1cn2nc(N3CCC[C@H](c4noc(C(C)C)n4)C3)sc2n1 ZINC000072279245 202361764 /nfs/dbraw/zinc/36/17/64/202361764.db2.gz VRXYXGHCANMEEQ-NSHDSACASA-N 0 0 332.433 2.990 50 0 EFAARN CC(C)COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 ZINC000072325546 202363730 /nfs/dbraw/zinc/36/37/30/202363730.db2.gz BEJBXANYZQAXAI-AWEZNQCLSA-N 0 0 329.396 2.914 50 0 biogenic EFAARN Cc1nc2ccc(O)cc2c(=O)n1CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000072325117 202363769 /nfs/dbraw/zinc/36/37/69/202363769.db2.gz AXFWRAGCSAIYLT-UHFFFAOYSA-N 0 0 348.362 2.531 50 0 biogenic EFAARN O=C(COc1ccc(F)cc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000074584086 202373913 /nfs/dbraw/zinc/37/39/13/202373913.db2.gz SFQLKALEIADTAE-CQSZACIVSA-N 0 0 343.354 2.949 50 0 EFAARN Cn1nc(CNC(=O)c2ccc(Cl)s2)c2ccccc2c1=O ZINC000075148916 202375042 /nfs/dbraw/zinc/37/50/42/202375042.db2.gz HJTCOGSWBULINN-UHFFFAOYSA-N 0 0 333.800 2.578 50 0 EFAARN COc1ccc(CCC(=O)NC[C@@]2(O)CCc3ccccc32)cc1 ZINC000075155674 202375853 /nfs/dbraw/zinc/37/58/53/202375853.db2.gz QNJJBNBLRZPJPJ-FQEVSTJZSA-N 0 0 325.408 2.578 50 0 EFAARN O=C(NC[C@@](O)(c1cccs1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000075155355 202375974 /nfs/dbraw/zinc/37/59/74/202375974.db2.gz JJCBJGDNDHGPKL-KRWDZBQOSA-N 0 0 346.408 2.896 50 0 EFAARN CSC[C@](C)(O)CNC(=O)COc1ccc(Cl)cc1Cl ZINC000075157275 202376081 /nfs/dbraw/zinc/37/60/81/202376081.db2.gz UJEJANOOGGJPNP-CYBMUJFWSA-N 0 0 338.256 2.602 50 0 EFAARN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl ZINC000075156931 202376123 /nfs/dbraw/zinc/37/61/23/202376123.db2.gz ZAEPYDRBVHBTFO-NXEZZACHSA-N 0 0 338.256 2.884 50 0 EFAARN C[C@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1cccs1 ZINC000075156062 202376260 /nfs/dbraw/zinc/37/62/60/202376260.db2.gz DIMVKNIMMRNAKN-AWEZNQCLSA-N 0 0 345.873 2.729 50 0 EFAARN O=C(c1nnn(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000075163276 202377152 /nfs/dbraw/zinc/37/71/52/202377152.db2.gz KXJPSXCIKJMCAK-UHFFFAOYSA-N 0 0 347.422 2.757 50 0 EFAARN CN(CC(=O)NC[C@@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000075162145 202377354 /nfs/dbraw/zinc/37/73/54/202377354.db2.gz QKLBBSDGKHRVCG-JTQLQIEISA-N 0 0 339.848 2.681 50 0 EFAARN Cc1ccc(-n2nnc(C(=O)Nc3cccc(OC(F)F)c3)n2)cc1 ZINC000075163440 202377524 /nfs/dbraw/zinc/37/75/24/202377524.db2.gz AAYNTBOGDLNTFJ-UHFFFAOYSA-N 0 0 345.309 2.824 50 0 EFAARN O=C(NCCNc1ccc(-n2cccc2)nn1)Nc1ccccc1F ZINC000075172231 202377899 /nfs/dbraw/zinc/37/78/99/202377899.db2.gz HDSLFJNVALSXDR-UHFFFAOYSA-N 0 0 340.362 2.640 50 0 EFAARN CN(C)c1ccc(CCNC(=O)NCCOc2ccccc2)cc1 ZINC000075166842 202378478 /nfs/dbraw/zinc/37/84/78/202378478.db2.gz LAEWKYLZRXFVTB-UHFFFAOYSA-N 0 0 327.428 2.673 50 0 EFAARN COC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1nc(C)cs1 ZINC000075165733 202378567 /nfs/dbraw/zinc/37/85/67/202378567.db2.gz FUGPJFFYIMQCMN-ZDUSSCGKSA-N 0 0 331.397 2.756 50 0 EFAARN O=S(=O)(NCC[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000077111850 202383766 /nfs/dbraw/zinc/38/37/66/202383766.db2.gz ZEBJMHJFDMTNJG-LBPRGKRZSA-N 0 0 349.330 2.700 50 0 EFAARN Cc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)c1cccs1 ZINC000077114679 202383864 /nfs/dbraw/zinc/38/38/64/202383864.db2.gz RCURMNLYSQTJLB-LBPRGKRZSA-N 0 0 329.418 2.598 50 0 EFAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccco1 ZINC000079188449 202423883 /nfs/dbraw/zinc/42/38/83/202423883.db2.gz BNBVBVOHMOHNFC-BBRMVZONSA-N 0 0 326.304 2.842 50 0 biogenic EFAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1F ZINC000040478673 202442909 /nfs/dbraw/zinc/44/29/09/202442909.db2.gz OWCTVLIDYPUWCN-UHFFFAOYSA-N 0 0 325.343 2.737 50 0 EFAARN C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000041127344 202473746 /nfs/dbraw/zinc/47/37/46/202473746.db2.gz RURDEMTZMJLJIE-GFCCVEGCSA-N 0 0 348.424 2.609 50 0 EFAARN CC(=O)Nc1ccc(Nc2nc3ccccc3c(NCCO)n2)cc1 ZINC000041149951 202475767 /nfs/dbraw/zinc/47/57/67/202475767.db2.gz WBJNWKGXXKOQNZ-UHFFFAOYSA-N 0 0 337.383 2.736 50 0 EFAARN CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccn2)cc1 ZINC000041529404 202482595 /nfs/dbraw/zinc/48/25/95/202482595.db2.gz OWMARYMTWCVBDI-UHFFFAOYSA-N 0 0 345.366 2.913 50 0 EFAARN C[C@@]1(C(=O)Nc2cccc3cccnc32)Oc2ccccc2NC1=O ZINC000041546795 202482774 /nfs/dbraw/zinc/48/27/74/202482774.db2.gz IJMSJNVFBSUJSA-LJQANCHMSA-N 0 0 333.347 2.963 50 0 EFAARN O=C(C1CCC1)N1CCc2ncnc(NCc3ccsc3)c2CC1 ZINC000072433810 216228545 /nfs/dbraw/zinc/22/85/45/216228545.db2.gz HWQCFGINBVAJFT-UHFFFAOYSA-N 0 0 342.468 2.878 50 0 EFAARN CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCc1c[nH]c3ccccc13)C2 ZINC000072434683 216228904 /nfs/dbraw/zinc/22/89/04/216228904.db2.gz KRRDZRWFPRWLOP-JKSUJKDBSA-N 0 0 339.439 2.570 50 0 EFAARN CCc1cc(N2CCN(CC(F)(F)F)CC2)n2nc(C)c(C)c2n1 ZINC000072431345 216224193 /nfs/dbraw/zinc/22/41/93/216224193.db2.gz XBXDPPRVIXFSNT-UHFFFAOYSA-N 0 0 341.381 2.593 50 0 EFAARN Cc1cc2nc(C)cc(N3CCC([C@H](O)c4ccccn4)CC3)n2n1 ZINC000072431301 216224332 /nfs/dbraw/zinc/22/43/32/216224332.db2.gz CKYGFIHLJOWSDF-IBGZPJMESA-N 0 0 337.427 2.691 50 0 EFAARN O=C([O-])C1(n2cccn2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000072432295 216225311 /nfs/dbraw/zinc/22/53/11/216225311.db2.gz ZIMGHYNQQSZGNW-UHFFFAOYSA-N 0 0 336.395 2.507 50 0 EFAARN CCCc1cncnc1N1CCC2(C[C@H](C(=O)[O-])[N@H+](CCC)C2)CC1 ZINC000072433122 216226614 /nfs/dbraw/zinc/22/66/14/216226614.db2.gz XRKPYOZNMWHVGJ-MRXNPFEDSA-N 0 0 346.475 2.585 50 0 EFAARN Cc1nn2c(nc(C)cc2N(C)Cc2nc(-c3ccccn3)no2)c1C ZINC000072432446 216227131 /nfs/dbraw/zinc/22/71/31/216227131.db2.gz YZPIVAQSVVZVRS-UHFFFAOYSA-N 0 0 349.398 2.736 50 0 EFAARN CNc1cc(C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)ccn1 ZINC000072478316 216256830 /nfs/dbraw/zinc/25/68/30/216256830.db2.gz COKQHYQVUMEHNV-UHFFFAOYSA-N 0 0 337.423 2.886 50 0 EFAARN CN1CCN(C(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)CC1 ZINC000072478648 216257089 /nfs/dbraw/zinc/25/70/89/216257089.db2.gz PEGGHEIQNWLEFN-QGZVFWFLSA-N 0 0 331.460 2.547 50 0 EFAARN COc1cccc(C[C@@H]2CCCN2c2ncnc3c2CN(C)CC3)c1 ZINC000222192615 201033879 /nfs/dbraw/zinc/03/38/79/201033879.db2.gz NXZKLAIQCIKOIB-INIZCTEOSA-N 0 0 338.455 2.685 50 0 EFAARN NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000000246490 201055679 /nfs/dbraw/zinc/05/56/79/201055679.db2.gz YIOAHVXFPXWMLZ-UHFFFAOYSA-N 0 0 326.425 2.671 50 0 EFAARN Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O ZINC000062001410 201146834 /nfs/dbraw/zinc/14/68/34/201146834.db2.gz GSTAVRGLFGEEIM-UHFFFAOYSA-N 0 0 345.402 2.992 50 0 biogenic EFAARN CC(C)(C)c1cnc(CN2CCC(c3ccnn3CCO)CC2)o1 ZINC000058292636 201141109 /nfs/dbraw/zinc/14/11/09/201141109.db2.gz NDIQWUNTYTVZAU-UHFFFAOYSA-N 0 0 332.448 2.541 50 0 EFAARN COc1c(CNCc2ccc(N3CCCCCC3)nc2)c(C)nn1C ZINC000058393500 201142075 /nfs/dbraw/zinc/14/20/75/201142075.db2.gz PCWNSRMTNDLJTR-UHFFFAOYSA-N 0 0 343.475 2.802 50 0 EFAARN O=C(NCCn1cccc1)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000239846286 201152873 /nfs/dbraw/zinc/15/28/73/201152873.db2.gz LBBILTYLACCYIN-UHFFFAOYSA-N 0 0 349.818 2.524 50 0 EFAARN O=C(NCc1nnc2ccc(-c3ccsc3)nn21)[C@@H]1CC=CCC1 ZINC000239578956 201152977 /nfs/dbraw/zinc/15/29/77/201152977.db2.gz DCJLFRGBIIHOPH-GFCCVEGCSA-N 0 0 339.424 2.825 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)Oc1ccc3c(c1)CCC3)C2 ZINC000065463469 201154329 /nfs/dbraw/zinc/15/43/29/201154329.db2.gz KLPHZYXBSNNVFT-WMLDXEAASA-N 0 0 339.439 2.579 50 0 EFAARN Cc1cc(CCCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)on1 ZINC000253473644 201187918 /nfs/dbraw/zinc/18/79/18/201187918.db2.gz WXCONBWXLJUCAC-UHFFFAOYSA-N 0 0 342.374 2.885 50 0 EFAARN COC(=O)c1ccsc1NC(=O)c1ccnc(OCC2CC2)c1 ZINC000253400708 201186113 /nfs/dbraw/zinc/18/61/13/201186113.db2.gz LNHFRQPEIVQMEA-UHFFFAOYSA-N 0 0 332.381 2.971 50 0 EFAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1 ZINC000253403391 201186587 /nfs/dbraw/zinc/18/65/87/201186587.db2.gz PTEIEVIZFOJZIH-UHFFFAOYSA-N 0 0 348.472 2.601 50 0 EFAARN COC(=O)c1ccccc1N(C)C(=O)c1ccnc(OCC2CC2)c1 ZINC000253398903 201187133 /nfs/dbraw/zinc/18/71/33/201187133.db2.gz HVFQJUCMKXHBIA-UHFFFAOYSA-N 0 0 340.379 2.934 50 0 EFAARN CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1 ZINC000005253928 201362352 /nfs/dbraw/zinc/36/23/52/201362352.db2.gz AEQYXFDOZIMRHR-UHFFFAOYSA-N 0 0 345.395 2.577 50 0 biogenic EFAARN COC(=O)C1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1 ZINC000006668946 201363201 /nfs/dbraw/zinc/36/32/01/201363201.db2.gz UMQWHIALZWCQTO-UHFFFAOYSA-N 0 0 335.787 2.831 50 0 EFAARN O=C(CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O)c1ccccc1 ZINC000008764534 201363428 /nfs/dbraw/zinc/36/34/28/201363428.db2.gz YQJMVFPZFXFBSG-KRWDZBQOSA-N 0 0 334.375 2.521 50 0 biogenic EFAARN CCOC(=O)N1CCN(Cc2cc(=O)oc3c(C)cc(C)cc23)CC1 ZINC000020412473 201370859 /nfs/dbraw/zinc/37/08/59/201370859.db2.gz HDLAXQVPKXRRAJ-UHFFFAOYSA-N 0 0 344.411 2.684 50 0 biogenic EFAARN Cc1c2ccccc2n(C)c1C(=O)NC1(C(N)=O)CCCCCC1 ZINC000299791419 201355708 /nfs/dbraw/zinc/35/57/08/201355708.db2.gz FIXSLAIGUQHCJD-UHFFFAOYSA-N 0 0 327.428 2.795 50 0 EFAARN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000151126802 201390788 /nfs/dbraw/zinc/39/07/88/201390788.db2.gz WVKNHDSXFGCNRM-CQSZACIVSA-N 0 0 338.816 2.577 50 0 EFAARN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(-c2cccs2)n[nH]1 ZINC000152762624 201392409 /nfs/dbraw/zinc/39/24/09/201392409.db2.gz OIXCWZZAGLFODU-GFCCVEGCSA-N 0 0 339.424 2.542 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1Cc3ccc(C)cc3S1)C2 ZINC000097198049 201380284 /nfs/dbraw/zinc/38/02/84/201380284.db2.gz NXUUBRDAUUXTCU-HOCLYGCPSA-N 0 0 327.453 2.648 50 0 EFAARN CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)CC2 ZINC000097198026 201380608 /nfs/dbraw/zinc/38/06/08/201380608.db2.gz DDURAJXRHQCZQC-KRWDZBQOSA-N 0 0 338.455 2.564 50 0 EFAARN Cc1nnc2n1C[C@@H](NC(=O)Cc1coc3cc(C)c(C)cc13)CC2 ZINC000097198842 201380912 /nfs/dbraw/zinc/38/09/12/201380912.db2.gz YPKWIGNIMUEPQK-HNNXBMFYSA-N 0 0 338.411 2.623 50 0 EFAARN CCc1nnc2n1C[C@H](NC(=O)c1cc3cc(C)ccc3nc1C)CC2 ZINC000097198783 201381547 /nfs/dbraw/zinc/38/15/47/201381547.db2.gz KYBCXNAQBLHRJH-OAHLLOKOSA-N 0 0 349.438 2.750 50 0 EFAARN c1csc([C@@H]2CN(Cc3nc(Cc4ccccc4)no3)CCO2)n1 ZINC000097199948 201382382 /nfs/dbraw/zinc/38/23/82/201382382.db2.gz JQHZAUYFCTWLCA-AWEZNQCLSA-N 0 0 342.424 2.690 50 0 EFAARN c1csc([C@H]2CN(Cc3nc(Cc4ccccc4)no3)CCO2)n1 ZINC000097199949 201382896 /nfs/dbraw/zinc/38/28/96/201382896.db2.gz JQHZAUYFCTWLCA-CQSZACIVSA-N 0 0 342.424 2.690 50 0 EFAARN c1csc([C@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)n1 ZINC000097199751 201382954 /nfs/dbraw/zinc/38/29/54/201382954.db2.gz UGELEEWYKMJORT-LLVKDONJSA-N 0 0 334.426 2.828 50 0 EFAARN c1csc([C@@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)n1 ZINC000097199750 201383381 /nfs/dbraw/zinc/38/33/81/201383381.db2.gz UGELEEWYKMJORT-NSHDSACASA-N 0 0 334.426 2.828 50 0 EFAARN 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330.750 2.990 50 0 EFAARN CCOc1ccc(C2N3CC4(C)CN2CC(CC)(C3)C4=O)cc1OC ZINC000019323499 212015033 /nfs/dbraw/zinc/01/50/33/212015033.db2.gz BACLSSHVTRZXNM-UHFFFAOYSA-N 0 0 344.455 2.709 50 0 biogenic EFAARN CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]21 ZINC000114318626 204470878 /nfs/dbraw/zinc/47/08/78/204470878.db2.gz GXIZSOVZVRKXEC-HUUCEWRRSA-N 0 0 332.400 2.874 50 0 EFAARN O=c1n(Cc2cc(F)cc(F)c2)nc2ccc(-c3ccccc3)nn21 ZINC000049399360 214005069 /nfs/dbraw/zinc/00/50/69/214005069.db2.gz RJTUQJKVAPLIFA-UHFFFAOYSA-N 0 0 338.317 2.885 50 0 EFAARN O=C(Nc1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC000005152350 284297077 /nfs/dbraw/zinc/29/70/77/284297077.db2.gz DKJPRPJHALRUJF-UHFFFAOYSA-N 0 0 341.205 2.820 50 0 EFAARN CC[C@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2cccc(C)c2)C1=O ZINC000017269365 211960953 /nfs/dbraw/zinc/96/09/53/211960953.db2.gz XHUGGPGWKOPBAJ-OKILXGFUSA-N 0 0 334.441 2.593 50 0 EFAARN O=C(Nc1ncccn1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017200482 211960468 /nfs/dbraw/zinc/96/04/68/211960468.db2.gz YZENXTNPGOWYEB-UHFFFAOYSA-N 0 0 344.330 2.530 50 0 EFAARN O=C(COc1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000016968797 211944397 /nfs/dbraw/zinc/94/43/97/211944397.db2.gz UWOKZJFYXKJZOK-UHFFFAOYSA-N 0 0 325.408 2.930 50 0 EFAARN CC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)n1c(C)cc(C)nc1=O ZINC000016626263 211921904 /nfs/dbraw/zinc/92/19/04/211921904.db2.gz DMOUDWUTRPZLAS-INIZCTEOSA-N 0 0 327.384 2.653 50 0 EFAARN CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 ZINC000016527224 211911829 /nfs/dbraw/zinc/91/18/29/211911829.db2.gz GMOVDCGASKBNEK-UHFFFAOYSA-N 0 0 348.424 2.554 50 0 EFAARN CCc1ccccc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000015936704 211870299 /nfs/dbraw/zinc/87/02/99/211870299.db2.gz XVJJPDBICOLMQJ-HZPDHXFCSA-N 0 0 340.423 2.919 50 0 EFAARN COc1cc(=O)n(C)c2c(OC[C@@H]3OC(C)(C)OC3(C)C)cccc12 ZINC000000199411 205422102 /nfs/dbraw/zinc/42/21/02/205422102.db2.gz HFXBOPGUQAUMHA-HNNXBMFYSA-N 0 0 347.411 2.856 50 0 biogenic EFAARN O=C(CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000151128028 205613375 /nfs/dbraw/zinc/61/33/75/205613375.db2.gz BDUAWAKTSLXSLB-KXBFYZLASA-N 0 0 333.403 2.942 50 0 EFAARN COc1cc2c(cc1OC)-c1cc(OCC(C)C)nc(=O)n1CC2 ZINC000002127935 205615744 /nfs/dbraw/zinc/61/57/44/205615744.db2.gz NPWKVDGKGOIKQG-UHFFFAOYSA-N 0 0 330.384 2.518 50 0 biogenic EFAARN Cc1cccc(C(=O)NCC2N=NC(=S)N2Cc2ccccc2)c1 ZINC000004086269 205681491 /nfs/dbraw/zinc/68/14/91/205681491.db2.gz BRVOOGFXAKHBMV-UHFFFAOYSA-N 0 0 338.436 2.854 50 0 EFAARN Cc1cccc(C(=O)NCC2N=NC(=S)N2c2ccc(F)cc2)c1 ZINC000004059222 205676942 /nfs/dbraw/zinc/67/69/42/205676942.db2.gz MZGCAJCLHFTMOC-UHFFFAOYSA-N 0 0 342.399 2.934 50 0 EFAARN Cc1ccc(SCCC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000004496515 205709621 /nfs/dbraw/zinc/70/96/21/205709621.db2.gz NOFOELKNHCBOAE-UHFFFAOYSA-N 0 0 340.404 3.000 50 0 EFAARN CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(C)=O)C2 ZINC000004281160 205696635 /nfs/dbraw/zinc/69/66/35/205696635.db2.gz SGUWKMQAFCSXOF-UHFFFAOYSA-N 0 0 338.429 2.568 50 0 EFAARN CCOC(=O)[C@@H](CC)Sc1ccc2nnc(-c3cccnc3)n2n1 ZINC000004327880 205700964 /nfs/dbraw/zinc/70/09/64/205700964.db2.gz BUPVLXNJKKOQAW-GFCCVEGCSA-N 0 0 343.412 2.620 50 0 EFAARN O=C1C(Cl)=C(NCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 ZINC000004370275 205701960 /nfs/dbraw/zinc/70/19/60/205701960.db2.gz FOISNKMTJHYNCE-UHFFFAOYSA-N 0 0 344.773 2.935 50 0 EFAARN CN(C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1 ZINC000004373753 205702015 /nfs/dbraw/zinc/70/20/15/205702015.db2.gz VEMAOLXFBCBWOT-CQSZACIVSA-N 0 0 333.407 2.905 50 0 EFAARN O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCc2ccccc21 ZINC000004373860 205702410 /nfs/dbraw/zinc/70/24/10/205702410.db2.gz XFDGUENFFRSGGO-OAHLLOKOSA-N 0 0 339.370 2.703 50 0 EFAARN Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1Br ZINC000004392684 205703226 /nfs/dbraw/zinc/70/32/26/205703226.db2.gz TTXDRAMYGPPKKC-JTQLQIEISA-N 0 0 346.246 2.521 50 0 EFAARN Cc1cc(C)cc(-n2nnc3c2ncn(Cc2ccccc2C)c3=O)c1 ZINC000005057293 205748307 /nfs/dbraw/zinc/74/83/07/205748307.db2.gz 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/nfs/dbraw/zinc/20/85/34/206208534.db2.gz CCKPEIMYOPVTAS-NSHDSACASA-N 0 0 336.347 2.512 50 0 EFAARN COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000000201020 206209321 /nfs/dbraw/zinc/20/93/21/206209321.db2.gz OOVNDQXJKRGIFF-UHFFFAOYSA-N 0 0 327.380 2.960 50 0 EFAARN NC(=O)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1 ZINC000000226680 206210284 /nfs/dbraw/zinc/21/02/84/206210284.db2.gz DIVZBAGJCIOHKB-UHFFFAOYSA-N 0 0 345.815 2.707 50 0 EFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Br)c2)C1 ZINC000000031023 206210840 /nfs/dbraw/zinc/21/08/40/206210840.db2.gz WNABICOXDCMUMU-LBPRGKRZSA-N 0 0 340.217 2.864 50 0 EFAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000000035663 206211084 /nfs/dbraw/zinc/21/10/84/206211084.db2.gz JNCGPUJPMPRVLW-UHFFFAOYSA-N 0 0 332.425 2.884 50 0 EFAARN CCOC(=O)C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000000029570 206211512 /nfs/dbraw/zinc/21/15/12/206211512.db2.gz GADWXIXAQMKRMI-UHFFFAOYSA-N 0 0 340.217 2.864 50 0 EFAARN CCc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000100099542 206214286 /nfs/dbraw/zinc/21/42/86/206214286.db2.gz XOFUUWNXQKLPDX-GASCZTMLSA-N 0 0 326.396 2.529 50 0 EFAARN CCOc1cc(CO)cc(I)c1OC(C)C ZINC000000469752 206241251 /nfs/dbraw/zinc/24/12/51/206241251.db2.gz ABDTYSPKEUDZRQ-UHFFFAOYSA-N 0 0 336.169 2.969 50 0 EFAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000000470813 206241511 /nfs/dbraw/zinc/24/15/11/206241511.db2.gz SZRRJMNWDFDSQL-UHFFFAOYSA-N 0 0 349.408 2.981 50 0 EFAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3Cl)nn2c(=O)c1C ZINC000100641594 206255348 /nfs/dbraw/zinc/25/53/48/206255348.db2.gz PICCJFCYDUCDLJ-UHFFFAOYSA-N 0 0 338.198 2.953 50 0 EFAARN COCCn1c2ccc(Br)cc2s/c1=N\C(C)=O ZINC000100872507 206255829 /nfs/dbraw/zinc/25/58/29/206255829.db2.gz OGYYNGQCAHTWIO-OWBHPGMISA-N 0 0 329.219 2.559 50 0 EFAARN Cn1c2c(cc(Cl)cc2Cl)s/c1=N\C(=O)C1=COCCO1 ZINC000100823866 206258113 /nfs/dbraw/zinc/25/81/13/206258113.db2.gz PPGCCWXRZQGBJZ-SSZFMOIBSA-N 0 0 345.207 2.862 50 0 EFAARN O=C(c1ccc(O)cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000352089 296222107 /nfs/dbraw/zinc/22/21/07/296222107.db2.gz HOUUJZSFWDPLLD-FZMZJTMJSA-N 0 0 328.290 2.645 50 0 EFAARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccccc1)n2C ZINC000100908590 206264245 /nfs/dbraw/zinc/26/42/45/206264245.db2.gz BMZLRHNGKBWABB-ZCXUNETKSA-N 0 0 328.393 2.998 50 0 EFAARN Cc1cccn2c(=O)c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c(O)nc12 ZINC000101063701 206268518 /nfs/dbraw/zinc/26/85/18/206268518.db2.gz CCNAIJUEKRKYKX-AAEUAGOBSA-N 0 0 343.427 2.653 50 0 EFAARN COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc(Cl)cc1)CC2 ZINC000265036644 247151952 /nfs/dbraw/zinc/15/19/52/247151952.db2.gz PFRLUZWTMDGSNC-CQSZACIVSA-N 0 0 336.819 2.825 50 0 EFAARN Cc1cnc(CNC(=O)c2cc(-n3cccn3)ccc2Cl)cn1 ZINC000426382811 247272197 /nfs/dbraw/zinc/27/21/97/247272197.db2.gz SPVQDYHQZZZORH-UHFFFAOYSA-N 0 0 327.775 2.554 50 0 EFAARN COCCN(Cc1cnn(C)c1)C(=O)NCc1ccc(SC)cc1 ZINC000426383074 247272555 /nfs/dbraw/zinc/27/25/55/247272555.db2.gz GTPUBQOLRBQSKW-UHFFFAOYSA-N 0 0 348.472 2.500 50 0 EFAARN Cc1nnc(SCC(=O)NCc2nc3ccccc3n2C(C)C)o1 ZINC000426386310 247272851 /nfs/dbraw/zinc/27/28/51/247272851.db2.gz LNQQDYCMFADGBT-UHFFFAOYSA-N 0 0 345.428 2.717 50 0 EFAARN CO[C@]12CCN(C(=O)Cc3cccc4ccccc43)[C@H]1C[C@H](O)CC2 ZINC000426383062 247272961 /nfs/dbraw/zinc/27/29/61/247272961.db2.gz GKMQZRYXOSZIDG-SLYNCCJLSA-N 0 0 339.435 2.913 50 0 EFAARN Cn1c(=O)cc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c2ccccc21 ZINC000426383305 247273031 /nfs/dbraw/zinc/27/30/31/247273031.db2.gz OOFGTZSXEHICAN-MRXNPFEDSA-N 0 0 348.402 2.832 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(C(C)=O)s3)[C@H]2C1 ZINC000426398230 247275124 /nfs/dbraw/zinc/27/51/24/247275124.db2.gz WPHMDMSNESMQSG-ISTRZQFTSA-N 0 0 337.441 2.749 50 0 EFAARN CCOc1ccnc(-c2ccccc2S(=O)(=O)NC(C)(C)C)n1 ZINC000426399066 247275367 /nfs/dbraw/zinc/27/53/67/247275367.db2.gz QIXJENVWCPEKNV-UHFFFAOYSA-N 0 0 335.429 2.619 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccccc3C(C)=O)[C@H]2C1 ZINC000426397610 247275466 /nfs/dbraw/zinc/27/54/66/247275466.db2.gz PZOIOBJPOLDIPO-UCLAIMLFSA-N 0 0 331.412 2.688 50 0 EFAARN CCN(C[C@H]1CCCCO1)C(=O)NCc1c(OC)cccc1OC ZINC000426403815 247276131 /nfs/dbraw/zinc/27/61/31/247276131.db2.gz WBQIOSNIOSOIOK-CQSZACIVSA-N 0 0 336.432 2.804 50 0 EFAARN Cc1ccccc1CN(CCO)C(=O)N[C@H](C)Cc1ccccn1 ZINC000426401785 247276143 /nfs/dbraw/zinc/27/61/43/247276143.db2.gz HRQBDMMZKBPODW-MRXNPFEDSA-N 0 0 327.428 2.525 50 0 EFAARN Cc1[nH]nc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)c1Cl ZINC000426399129 247276688 /nfs/dbraw/zinc/27/66/88/247276688.db2.gz ZTECWFKQFMQGNS-CYBMUJFWSA-N 0 0 344.806 2.524 50 0 EFAARN CC(C)COc1ccccc1-c1cncc(C(=O)N2CCOCC2)n1 ZINC000426407708 247277783 /nfs/dbraw/zinc/27/77/83/247277783.db2.gz UUQHVHYFEFQNTN-UHFFFAOYSA-N 0 0 341.411 2.651 50 0 EFAARN CC(C)c1nc(CNC(=O)N2CCN(c3cccnc3)CC2)cs1 ZINC000426428812 247279065 /nfs/dbraw/zinc/27/90/65/247279065.db2.gz DCAIBPFUNITSAI-UHFFFAOYSA-N 0 0 345.472 2.693 50 0 EFAARN Cc1ccc(CCNC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)o1 ZINC000426428362 247280016 /nfs/dbraw/zinc/28/00/16/247280016.db2.gz YJIRNSKQDLXZSA-HNNXBMFYSA-N 0 0 347.459 2.563 50 0 EFAARN Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H](O)CO)cc2)cc1Cl ZINC000426472991 247282482 /nfs/dbraw/zinc/28/24/82/247282482.db2.gz UOLXKDFVXNFHKO-MRXNPFEDSA-N 0 0 333.815 2.741 50 0 EFAARN Cc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)cc1Cl ZINC000426472990 247283727 /nfs/dbraw/zinc/28/37/27/247283727.db2.gz UOLXKDFVXNFHKO-INIZCTEOSA-N 0 0 333.815 2.741 50 0 EFAARN CCc1ccc([C@@H](C)NC(=O)N2CCC3(CNC(=O)O3)CC2)cc1 ZINC000426472671 247283874 /nfs/dbraw/zinc/28/38/74/247283874.db2.gz GSNVNWXUJGPBTP-CYBMUJFWSA-N 0 0 331.416 2.594 50 0 EFAARN CCc1nccn1CCCNC(=O)N1CC(Oc2cccc(C)c2)C1 ZINC000426478146 247284543 /nfs/dbraw/zinc/28/45/43/247284543.db2.gz ZZHTZGKGRWFHGS-UHFFFAOYSA-N 0 0 342.443 2.617 50 0 EFAARN CNC(=O)Cn1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)cn1 ZINC000426490563 247286630 /nfs/dbraw/zinc/28/66/30/247286630.db2.gz LGRWGBSUMPTGOU-UHFFFAOYSA-N 0 0 342.443 2.555 50 0 EFAARN Cc1cnc2c(Cl)c(C(=O)N[C@@H]3COC4(C3)CCCCC4)nn2c1 ZINC000426487993 247286804 /nfs/dbraw/zinc/28/68/04/247286804.db2.gz KOKPINDBCFHHHZ-LBPRGKRZSA-N 0 0 348.834 2.913 50 0 EFAARN COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)N(C)C1CCSCC1 ZINC000426490722 247287169 /nfs/dbraw/zinc/28/71/69/247287169.db2.gz PPPILYNVBVVMQK-UHFFFAOYSA-N 0 0 336.417 2.636 50 0 EFAARN Cc1cc(C)cc(CNC(=O)N(CCCO)Cc2ccncc2)c1 ZINC000426494679 247287491 /nfs/dbraw/zinc/28/74/91/247287491.db2.gz ULWBPADRCUHEGU-UHFFFAOYSA-N 0 0 327.428 2.793 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N2CCC(O)(c3ccccc3)CC2)n1 ZINC000426494331 247287843 /nfs/dbraw/zinc/28/78/43/247287843.db2.gz GPHQKYULXBNKAJ-MRXNPFEDSA-N 0 0 339.439 2.777 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2nc3cc(F)ccc3[nH]2)n1 ZINC000426496833 247288100 /nfs/dbraw/zinc/28/81/00/247288100.db2.gz HNWBPAPJPGMXQQ-GFCCVEGCSA-N 0 0 341.390 2.941 50 0 EFAARN O=C(NCCN1CCCOC1=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426501876 247288522 /nfs/dbraw/zinc/28/85/22/247288522.db2.gz 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COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccccc2)c1 ZINC000000121420 284549643 /nfs/dbraw/zinc/54/96/43/284549643.db2.gz UKENLOPCRVYLCN-UHFFFAOYSA-N 0 0 328.324 2.904 50 0 EFAARN COC(=O)c1ccc2c(c1)nc(N1CCC3(CCCO3)CC1)n2C ZINC000072164177 284575425 /nfs/dbraw/zinc/57/54/25/284575425.db2.gz UXGUEBYADPNIPV-UHFFFAOYSA-N 0 0 329.400 2.509 50 0 EFAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCC1 ZINC000001749491 206321666 /nfs/dbraw/zinc/32/16/66/206321666.db2.gz MJWLPAVCJNZQGR-UHFFFAOYSA-N 0 0 328.412 2.902 50 0 EFAARN COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccccc3)c2c1 ZINC000004487666 206377966 /nfs/dbraw/zinc/37/79/66/206377966.db2.gz YKYHIPLHJFINIQ-UHFFFAOYSA-N 0 0 330.409 2.698 50 0 biogenic,in-vitro EFAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 ZINC000005460121 206379410 /nfs/dbraw/zinc/37/94/10/206379410.db2.gz WHEOLGGFCJQGHX-HNNXBMFYSA-N 0 0 326.352 2.665 50 0 biogenic EFAARN CSc1ncnc2c1ncn2CC(=O)Nc1ccc(C)c(C)c1 ZINC000000133746 206370894 /nfs/dbraw/zinc/37/08/94/206370894.db2.gz 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Cc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000010110564 211148808 /nfs/dbraw/zinc/14/88/08/211148808.db2.gz RPJJYLSXJJMLJN-UHFFFAOYSA-N 0 0 346.452 2.729 50 0 EFAARN O=C(c1cnn2c1CCCC2)N1CCn2cccc2[C@H]1c1cccnc1 ZINC000072164846 296293265 /nfs/dbraw/zinc/29/32/65/296293265.db2.gz GZKARSAPAANYRD-LJQANCHMSA-N 0 0 347.422 2.661 50 0 EFAARN O=C(NC[C@]1(O)CCOc2ccccc21)c1ccc2ncsc2c1 ZINC000206717431 206725757 /nfs/dbraw/zinc/72/57/57/206725757.db2.gz JFBYLVLXCZSHFW-GOSISDBHSA-N 0 0 340.404 2.696 50 0 EFAARN COc1ccc(C(=O)NC[C@](C)(O)CCc2ccccc2)cc1F ZINC000206707922 206725942 /nfs/dbraw/zinc/72/59/42/206725942.db2.gz KGPHFPVSONLFGE-LJQANCHMSA-N 0 0 331.387 2.948 50 0 EFAARN O=C(/C=C/c1ccoc1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000206705448 206725961 /nfs/dbraw/zinc/72/59/61/206725961.db2.gz MPNVBWNOCXBZMT-LQYUOIDQSA-N 0 0 325.286 2.859 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000008844662 211011223 /nfs/dbraw/zinc/01/12/23/211011223.db2.gz YCLMGZQIZPMINU-UHFFFAOYSA-N 0 0 346.452 2.958 50 0 EFAARN Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H]2CCCc3n[nH]cc32)n1 ZINC000095415752 218354322 /nfs/dbraw/zinc/35/43/22/218354322.db2.gz ODACNHXKHLUTPE-MRXNPFEDSA-N 0 0 349.438 2.949 50 0 EFAARN O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1c1nccs1 ZINC000177023069 296303005 /nfs/dbraw/zinc/30/30/05/296303005.db2.gz LYWHRZWSPXSYHL-CYBMUJFWSA-N 0 0 340.408 2.747 50 0 EFAARN O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCCCC1 ZINC000263618067 296308210 /nfs/dbraw/zinc/30/82/10/296308210.db2.gz RCOFYDVQCMSMFR-OAHLLOKOSA-N 0 0 346.818 2.829 50 0 EFAARN Cc1nc([C@H]2CN(Cc3ccc(Br)cc3)CCO2)no1 ZINC000095958099 218464486 /nfs/dbraw/zinc/46/44/86/218464486.db2.gz IGAIPPSFPXZBEY-CYBMUJFWSA-N 0 0 338.205 2.714 50 0 EFAARN CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(C)=O)[nH]c1=O ZINC000011855034 207004736 /nfs/dbraw/zinc/00/47/36/207004736.db2.gz NSYUWSRGNYFEAF-UHFFFAOYSA-N 0 0 343.412 2.513 50 0 EFAARN O=C1C[C@H](c2ccco2)Cc2nc3nc(-c4cccnc4)nn3cc21 ZINC000004992901 284847438 /nfs/dbraw/zinc/84/74/38/284847438.db2.gz MXCDETOOUDASNF-GFCCVEGCSA-N 0 0 331.335 2.692 50 0 EFAARN COc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000011988682 207045433 /nfs/dbraw/zinc/04/54/33/207045433.db2.gz KFGJFNLTCHCLQP-UHFFFAOYSA-N 0 0 342.370 2.621 50 0 EFAARN O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000011988649 207045646 /nfs/dbraw/zinc/04/56/46/207045646.db2.gz XESHKICNQUAWNO-UHFFFAOYSA-N 0 0 348.324 2.890 50 0 EFAARN O=C1NC(=O)C(=Cc2ccc(I)cc2)S1 ZINC000012468022 284857154 /nfs/dbraw/zinc/85/71/54/284857154.db2.gz XEOCLGLXFYSZRK-YVMONPNESA-N 0 0 331.134 2.615 50 0 EFAARN COC(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(SC)cc2)cc1 ZINC000096103090 218596756 /nfs/dbraw/zinc/59/67/56/218596756.db2.gz FLVPDBVIQXDIHP-INIZCTEOSA-N 0 0 345.420 2.659 50 0 EFAARN O=C1CCCCN1c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012002204 207062510 /nfs/dbraw/zinc/06/25/10/207062510.db2.gz DVHVEWUXTBVNBF-UHFFFAOYSA-N 0 0 344.436 2.682 50 0 EFAARN COc1ccccc1S(=O)(=O)NC[C@@H](OC)c1ccccc1C ZINC000096105068 218598513 /nfs/dbraw/zinc/59/85/13/218598513.db2.gz IBWHDXZJVLYUBW-MRXNPFEDSA-N 0 0 335.425 2.670 50 0 EFAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCOC(C)(C)C3)ccc12 ZINC000096115529 218610249 /nfs/dbraw/zinc/61/02/49/218610249.db2.gz GZIJTWGFPRSRRZ-CYBMUJFWSA-N 0 0 345.395 2.554 50 0 biogenic EFAARN O=S(=O)(NCCc1ccoc1)c1ccccc1OC(F)(F)F ZINC000096120586 218612042 /nfs/dbraw/zinc/61/20/42/218612042.db2.gz IAPBAEMQIVLKBQ-UHFFFAOYSA-N 0 0 335.303 2.699 50 0 EFAARN CCCc1nnsc1C(=O)NC[C@@](C)(OC)c1ccccc1F ZINC000096123480 218614914 /nfs/dbraw/zinc/61/49/14/218614914.db2.gz QEROFOCUVFUDKN-MRXNPFEDSA-N 0 0 337.420 2.921 50 0 EFAARN Cc1cc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)n(C)n1 ZINC000012232754 207079992 /nfs/dbraw/zinc/07/99/92/207079992.db2.gz ORTZUOWEGQPEOM-UHFFFAOYSA-N 0 0 340.408 2.808 50 0 EFAARN CC[C@@](CNS(=O)(=O)c1ccccc1OC)(OC)c1ccccc1 ZINC000096123762 218615116 /nfs/dbraw/zinc/61/51/16/218615116.db2.gz YFHKXVDPGCIQAP-SFHVURJKSA-N 0 0 349.452 2.925 50 0 EFAARN COC1(CNC(=O)C(=O)Nc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000096123907 218615531 /nfs/dbraw/zinc/61/55/31/218615531.db2.gz OIHKYXFQPJPOMO-UHFFFAOYSA-N 0 0 342.439 2.583 50 0 EFAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCCC1 ZINC000012380600 207131291 /nfs/dbraw/zinc/13/12/91/207131291.db2.gz WGSXNJUQGOIESF-CQSZACIVSA-N 0 0 338.473 2.583 50 0 EFAARN COc1nn(C)cc1-c1nnc(SCc2ccccc2F)n1C ZINC000012422579 207144082 /nfs/dbraw/zinc/14/40/82/207144082.db2.gz MIUJIDRBNNHFFQ-UHFFFAOYSA-N 0 0 333.392 2.656 50 0 EFAARN CCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)C(C)C)CC1 ZINC000012651524 207187664 /nfs/dbraw/zinc/18/76/64/207187664.db2.gz PXXJKHKUOURZNX-UHFFFAOYSA-N 0 0 337.851 2.993 50 0 EFAARN COc1ccc(-c2cc(CC(=O)NCc3ccco3)no2)cc1OC ZINC000012867757 207253271 /nfs/dbraw/zinc/25/32/71/207253271.db2.gz XFLFUNZABYAHPC-UHFFFAOYSA-N 0 0 342.351 2.811 50 0 EFAARN O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/CN1CCOCC1 ZINC000012960042 207267448 /nfs/dbraw/zinc/26/74/48/207267448.db2.gz VHSRKAKCXUMQQR-PYJQOMOHSA-N 0 0 330.428 2.676 50 0 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343.379 2.599 50 0 biogenic EFAARN COc1cccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1OC ZINC000004941164 210332867 /nfs/dbraw/zinc/33/28/67/210332867.db2.gz BFXYYLHVBPRQNE-CYBMUJFWSA-N 0 0 335.400 2.509 50 0 EFAARN O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc3ccccc3n12 ZINC000000572304 285192529 /nfs/dbraw/zinc/19/25/29/285192529.db2.gz CVZUPPFTNJRYAP-YVLHZVERSA-N 0 0 332.384 2.885 50 0 EFAARN O=C1Nc2ccc(Br)cc2[C@]1(O)[C@H]1CCCCCC1=O ZINC000000136692 296399975 /nfs/dbraw/zinc/39/99/75/296399975.db2.gz DSHUVWRTVUJSDC-ZUZCIYMTSA-N 0 0 338.201 2.738 50 0 EFAARN C[C@@H]1CCCN(c2ccccc2)N1C(=O)c1nc2ccccc2[nH]c1=O ZINC000067872417 296401325 /nfs/dbraw/zinc/40/13/25/296401325.db2.gz WHUUGCBEOVNAJQ-CQSZACIVSA-N 0 0 348.406 2.969 50 0 EFAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCn1cncn1 ZINC000357993366 285207290 /nfs/dbraw/zinc/20/72/90/285207290.db2.gz QYCQULKCZINJFY-UHFFFAOYSA-N 0 0 341.371 2.556 50 0 EFAARN O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(Cl)cc1 ZINC000004266694 285215521 /nfs/dbraw/zinc/21/55/21/285215521.db2.gz 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O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cccc(CO)c2)c1 ZINC000426649713 257959953 /nfs/dbraw/zinc/95/99/53/257959953.db2.gz PUEHJBYVSORNTR-WGSAOQKQSA-N 0 0 325.408 2.879 50 0 EFAARN CCc1cnc(C)nc1-c1ccc(C(=O)NCCc2cn[nH]c2)cc1 ZINC000426643038 257959968 /nfs/dbraw/zinc/95/99/68/257959968.db2.gz SVEOULIJHOLJLD-UHFFFAOYSA-N 0 0 335.411 2.710 50 0 EFAARN CC1(C)C[C@]1(C(=O)N1CCC2(COC(=O)O2)CC1)c1ccccc1 ZINC000426613631 257961264 /nfs/dbraw/zinc/96/12/64/257961264.db2.gz MUBUZQASMSLCIS-LJQANCHMSA-N 0 0 329.396 2.882 50 0 EFAARN CO[C@]12CCN(c3ncc(F)cn3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426618062 257961440 /nfs/dbraw/zinc/96/14/40/257961440.db2.gz DFEOHIMOMKVOCY-RVKKMQEKSA-N 0 0 344.390 2.606 50 0 EFAARN O=C(c1ccc(N2CCCCC2)cc1)N1CCC(n2cnnc2)CC1 ZINC000426613027 257961627 /nfs/dbraw/zinc/96/16/27/257961627.db2.gz XWCQUSMMJITXTA-UHFFFAOYSA-N 0 0 339.443 2.746 50 0 EFAARN Cc1cccc(C)c1OCCCN(C)C(=O)NCCn1cccn1 ZINC000426537399 257964048 /nfs/dbraw/zinc/96/40/48/257964048.db2.gz CRLZIZPCGCMVLQ-UHFFFAOYSA-N 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ZINC000299775272 258086150 /nfs/dbraw/zinc/08/61/50/258086150.db2.gz AZVRVYBXDYFPRQ-LJQANCHMSA-N 0 0 336.395 2.501 50 0 EFAARN Cc1nccn1[C@@H](C)CC(=O)N1CCC(Oc2cccnc2)CC1 ZINC000299776951 258086995 /nfs/dbraw/zinc/08/69/95/258086995.db2.gz IUFDIXMKCMODEK-AWEZNQCLSA-N 0 0 328.416 2.608 50 0 EFAARN COc1ccc2c(C)nc(S(=O)(=O)Cc3ccccc3)nc2c1 ZINC000299778358 258088200 /nfs/dbraw/zinc/08/82/00/258088200.db2.gz GDJCRAQVPTTZFC-UHFFFAOYSA-N 0 0 328.393 2.921 50 0 EFAARN Cc1cc(C[C@@H](C)NC(=O)Nc2ccnn2Cc2cccs2)[nH]n1 ZINC000299778854 258088243 /nfs/dbraw/zinc/08/82/43/258088243.db2.gz QWQQLFWPBYMFLN-LLVKDONJSA-N 0 0 344.444 2.777 50 0 EFAARN Cc1ccccc1OC[C@@H](O)C(=O)NC(C)(C)Cc1ccc(O)cc1 ZINC000299778502 258088501 /nfs/dbraw/zinc/08/85/01/258088501.db2.gz HKRBLLUPELLZOQ-QGZVFWFLSA-N 0 0 343.423 2.578 50 0 EFAARN CN(C)c1ccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)cn1 ZINC000299779511 258088968 /nfs/dbraw/zinc/08/89/68/258088968.db2.gz FYLNNPMPCFQVLQ-CQSZACIVSA-N 0 0 325.412 2.519 50 0 EFAARN Cc1nnc(CN2Cc3cnn(Cc4ccc(F)cc4)c3C2)s1 ZINC000299779959 258088978 /nfs/dbraw/zinc/08/89/78/258088978.db2.gz RIKUMNKRTXPTPE-UHFFFAOYSA-N 0 0 329.404 2.746 50 0 EFAARN CO[C@]12CCN(Cc3nc(C)c[nH]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299780166 258089476 /nfs/dbraw/zinc/08/94/76/258089476.db2.gz IPWOHOSXXQWUCT-TXPKVOOTSA-N 0 0 342.443 2.704 50 0 EFAARN CC(C)n1nccc1NC(=O)N[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000299780704 258089694 /nfs/dbraw/zinc/08/96/94/258089694.db2.gz CITXSWOALFFGHL-NSHDSACASA-N 0 0 341.375 2.792 50 0 EFAARN CCC(=O)NCCc1nnc(SCc2cccc(Cl)c2)n1C ZINC000299781029 258090007 /nfs/dbraw/zinc/09/00/07/258090007.db2.gz CXJSDSIDNSZTLR-UHFFFAOYSA-N 0 0 338.864 2.830 50 0 EFAARN C[C@@H](NC(=O)CCc1nc(Cl)n[nH]1)c1nc2c(s1)CCCC2 ZINC000299781013 258090047 /nfs/dbraw/zinc/09/00/47/258090047.db2.gz UEZDEYWZORZDAV-MRVPVSSYSA-N 0 0 339.852 2.603 50 0 EFAARN O=C(COC[C@H]1CCCO1)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000299781818 258090300 /nfs/dbraw/zinc/09/03/00/258090300.db2.gz UXFKHFKFYRSZPM-OAHLLOKOSA-N 0 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278174907 /nfs/dbraw/zinc/17/49/07/278174907.db2.gz VXDBGDLCMIJKSV-GOSISDBHSA-N 0 0 341.436 2.508 50 0 EFAARN CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 ZINC000005375290 278204992 /nfs/dbraw/zinc/20/49/92/278204992.db2.gz XWRCOPFIXJSDOD-UHFFFAOYSA-N 0 0 336.438 2.848 50 0 EFAARN C[C@H]1CCCN(CN2c3ccc(Br)cc3C(=O)C2=O)C1 ZINC000055568564 278342890 /nfs/dbraw/zinc/34/28/90/278342890.db2.gz JJTMZFYLNUEQBE-JTQLQIEISA-N 0 0 337.217 2.668 50 0 EFAARN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)O)C1 ZINC000095642937 278398382 /nfs/dbraw/zinc/39/83/82/278398382.db2.gz MLTORWXZEPCUQZ-LBPRGKRZSA-N 0 0 344.452 2.614 50 0 EFAARN Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H]3c3cccnc3)nc2n1 ZINC000005345426 278679766 /nfs/dbraw/zinc/67/97/66/278679766.db2.gz CQIMJOUWANHYGF-OAHLLOKOSA-N 0 0 336.399 2.504 50 0 EFAARN CC(C)CCN1CC(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004029631 278762997 /nfs/dbraw/zinc/76/29/97/278762997.db2.gz UJJXNUVAVZSHRG-FQEVSTJZSA-N 0 0 339.439 2.656 50 0 biogenic EFAARN CCCOc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc1 ZINC000091636166 278846919 /nfs/dbraw/zinc/84/69/19/278846919.db2.gz AAFGBCPFOGKVNC-DOTOQJQBSA-N 0 0 330.428 2.558 50 0 EFAARN Cc1nc2[nH]c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1C ZINC000018221963 279145006 /nfs/dbraw/zinc/14/50/06/279145006.db2.gz AHMAGEBUUZPXJL-UHFFFAOYSA-N 0 0 339.399 2.997 50 0 EFAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccs1 ZINC000001025265 279530038 /nfs/dbraw/zinc/53/00/38/279530038.db2.gz LFFMTPATFLXRGG-CABZTGNLSA-N 0 0 336.438 2.960 50 0 EFAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2c(c1)NC(=O)CO2 ZINC000004784661 279818275 /nfs/dbraw/zinc/81/82/75/279818275.db2.gz ALAYEFCBZQEQCC-UHFFFAOYSA-N 0 0 326.396 2.572 50 0 EFAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000027994691 280262728 /nfs/dbraw/zinc/26/27/28/280262728.db2.gz YKJZSCHOYRTELZ-JTQLQIEISA-N 0 0 341.816 2.620 50 0 EFAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c3nsnc3ccc2O1 ZINC000096223020 280269325 /nfs/dbraw/zinc/26/93/25/280269325.db2.gz 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280705545 /nfs/dbraw/zinc/70/55/45/280705545.db2.gz LVTDSPZPBBCODW-ZDUSSCGKSA-N 0 0 339.443 2.535 50 0 EFAARN Cc1ccc(-n2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 ZINC000018116327 280738735 /nfs/dbraw/zinc/73/87/35/280738735.db2.gz VOURGVNKJLLPBE-UHFFFAOYSA-N 0 0 331.169 2.750 50 0 EFAARN Cc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(O)c2)C3)cc1 ZINC000013692677 281006160 /nfs/dbraw/zinc/00/61/60/281006160.db2.gz UIRRDZYGQUJOFE-GOSISDBHSA-N 0 0 349.390 2.698 50 0 EFAARN Cc1ccc2nc(N3CCN(C=O)CC3)nc(-c3ccccc3)c2c1 ZINC000000266157 281157237 /nfs/dbraw/zinc/15/72/37/281157237.db2.gz MPBDJZHWZQFXAO-UHFFFAOYSA-N 0 0 332.407 2.884 50 0 EFAARN Cc1cccc(-n2c3nnnn3c3sc4c(c3c2=O)CCCC4)c1 ZINC000000547191 281187555 /nfs/dbraw/zinc/18/75/55/281187555.db2.gz PMPLGPMMAHCINI-UHFFFAOYSA-N 0 0 337.408 2.677 50 0 EFAARN CC1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)CC1 ZINC000057355155 281803034 /nfs/dbraw/zinc/80/30/34/281803034.db2.gz FUISWKDSMWWUCU-CRAIPNDOSA-N 0 0 332.419 2.994 50 0 EFAARN CN(C)[C@@H]1CS(=O)(=O)[C@]12CC1c3ccccc3C2c2ccccc21 ZINC000031716341 289336136 /nfs/dbraw/zinc/33/61/36/289336136.db2.gz DHIQQBILTIUGMZ-CQJJOKNBSA-N 0 0 339.460 2.765 50 0 EFAARN CN1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)OC1=O ZINC000077407471 289865214 /nfs/dbraw/zinc/86/52/14/289865214.db2.gz GUIDXMMPQFNNRS-UHFFFAOYSA-N 0 0 342.439 2.942 50 0 EFAARN Cc1csc(NC(=O)c2c3c(sc2-n2cnnn2)CCCC3)n1 ZINC000040282865 293048255 /nfs/dbraw/zinc/04/82/55/293048255.db2.gz YMYDIJFJHDCVRX-UHFFFAOYSA-N 0 0 346.441 2.620 50 0 EFAARN Cc1csc2ncc(C(=O)N3c4ccccc4C[C@@H]3C)c(=O)n12 ZINC000004121125 293078365 /nfs/dbraw/zinc/07/83/65/293078365.db2.gz ZAMHLJLDMQADGU-JTQLQIEISA-N 0 0 325.393 2.656 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(=O)Nc2nc(N)ccc21 ZINC000095356432 293683059 /nfs/dbraw/zinc/68/30/59/293683059.db2.gz OYYLQRTXMMTNRW-OAHLLOKOSA-N 0 0 333.395 2.940 50 0 EFAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 ZINC000009477278 293689472 /nfs/dbraw/zinc/68/94/72/293689472.db2.gz PNYMPOLSZXWZCL-OAHLLOKOSA-N 0 0 349.394 2.767 50 0 EFAARN COc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187073 295021051 /nfs/dbraw/zinc/02/10/51/295021051.db2.gz FJJFUMBHEOHXLC-PBHICJAKSA-N 0 0 338.363 2.570 50 0 biogenic EFAARN COc1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000089469665 295026025 /nfs/dbraw/zinc/02/60/25/295026025.db2.gz VNKHCWQSLKFNQA-SNVBAGLBSA-N 0 0 344.319 2.579 50 0 biogenic EFAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3C)cc(OC)c1O ZINC000044900604 295026674 /nfs/dbraw/zinc/02/66/74/295026674.db2.gz NGJQWUNMLFMFFB-OAHLLOKOSA-N 0 0 349.412 2.876 50 0 EFAARN COc1cc2c(cc1C)C(=O)[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)CC2 ZINC000000070305 295033466 /nfs/dbraw/zinc/03/34/66/295033466.db2.gz VRPFFZIILFMLRJ-MGPUTAFESA-N 0 0 337.375 2.589 50 0 EFAARN COc1ccc(Cl)cc1[C@H](C(=O)[O-])[N@H+](C)CC1CCOCC1 ZINC000095353126 295146967 /nfs/dbraw/zinc/14/69/67/295146967.db2.gz HRQLXZRPRSGWCH-OAHLLOKOSA-N 0 0 327.808 2.833 50 0 EFAARN COc1ccc2[nH]c3c(c2c1)CCN[C@@]31c2ccccc2N(C)C1=O ZINC000020064230 295255629 /nfs/dbraw/zinc/25/56/29/295255629.db2.gz FOTLXRGULOUVND-FQEVSTJZSA-N 0 0 333.391 2.542 50 0 biogenic EFAARN COc1ccc2c(c1)OC[C@]1(C(=O)[O-])C[N@H+](C3CCCCC3)C[C@H]21 ZINC000095371771 295269063 /nfs/dbraw/zinc/26/90/63/295269063.db2.gz UWXGEXSGTGTOMA-VQIMIIECSA-N 0 0 331.412 2.891 50 0 EFAARN Nc1c(Br)cc(Br)nc1Br ZINC000098213661 295344266 /nfs/dbraw/zinc/34/42/66/295344266.db2.gz LUNVYJQHKVGADE-UHFFFAOYSA-N 0 0 330.805 2.951 50 0 EFAARN O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](n2nccn2)C1 ZINC000253472022 295456609 /nfs/dbraw/zinc/45/66/09/295456609.db2.gz HWMWKDBMWKJTST-AWEZNQCLSA-N 0 0 346.390 2.989 50 0 EFAARN O=C(NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccco1 ZINC000012138810 295590259 /nfs/dbraw/zinc/59/02/59/295590259.db2.gz WQXZFJPHFXWGOU-UHFFFAOYSA-N 0 0 343.408 2.642 50 0 EFAARN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1)c1csnn1 ZINC000001387598 295590334 /nfs/dbraw/zinc/59/03/34/295590334.db2.gz QWCABAZTVBRKEU-UHFFFAOYSA-N 0 0 332.332 2.684 50 0 EFAARN C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)OC(C)(C)OC1=O ZINC000005274399 297246778 /nfs/dbraw/zinc/24/67/78/297246778.db2.gz OGISVPRLALRBSX-XJKCOSOUSA-N 0 0 343.423 2.916 50 0 EFAARN C[C@H](C(=O)Nc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000000080196 298194822 /nfs/dbraw/zinc/19/48/22/298194822.db2.gz SCZGWSGBGMCXHI-GFCCVEGCSA-N 0 0 336.388 2.619 50 0 EFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000011851709 300482431 /nfs/dbraw/zinc/48/24/31/300482431.db2.gz RZFAQGIEMSXELB-WSMBLCCSSA-N 0 0 327.490 2.690 50 0 EFAARN O=C1OC=C2Nc3cc4c(cc3[C@@H](c3ccc(F)cc3)C12)OCCO4 ZINC000013598764 304691366 /nfs/dbraw/zinc/69/13/66/304691366.db2.gz FOCNALWTYGTNKD-QGZVFWFLSA-N 0 0 339.322 2.965 50 0 EFAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c(C)o1 ZINC000038679800 301137772 /nfs/dbraw/zinc/13/77/72/301137772.db2.gz LBAMHQSFIDYIKL-OLZOCXBDSA-N 0 0 336.413 2.633 50 0 EFAARN Cc1cc(C)c(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)cn1 ZINC000091587103 301163956 /nfs/dbraw/zinc/16/39/56/301163956.db2.gz OXSMEVJZFXQCOX-INIZCTEOSA-N 0 0 329.444 2.706 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(C)c1 ZINC000016994322 301200122 /nfs/dbraw/zinc/20/01/22/301200122.db2.gz SRJYONCEPDVKDO-UHFFFAOYSA-N 0 0 330.409 2.907 50 0 EFAARN Cc1cc(C)cc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000016839785 301223582 /nfs/dbraw/zinc/22/35/82/301223582.db2.gz GPBIHTNPAVCZRU-LLVKDONJSA-N 0 0 333.331 2.509 50 0 EFAARN Cc1cc([C@@H]2CCCCN2CC(=O)N2CCOc3ccccc32)no1 ZINC000244674008 301410110 /nfs/dbraw/zinc/41/01/10/301410110.db2.gz HZRWNQWUUWNXEK-INIZCTEOSA-N 0 0 341.411 2.936 50 0 EFAARN O=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000072167836 304753753 /nfs/dbraw/zinc/75/37/53/304753753.db2.gz RPFZOTMKMHTSHC-MRXNPFEDSA-N 0 0 338.473 2.520 50 0 EFAARN Cc1ccc(F)cc1[C@H](C(=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000095383107 301617565 /nfs/dbraw/zinc/61/75/65/301617565.db2.gz XSZVPSZUFLTOBD-QGZVFWFLSA-N 0 0 348.418 2.594 50 0 EFAARN Cc1ccc(N2C(=O)[C@H](C)[C@H]3c4ccccc4OC(=O)[C@H]3C2=O)cc1 ZINC000015305427 301624318 /nfs/dbraw/zinc/62/43/18/301624318.db2.gz PCYCSVVOWKARFX-OAUYIBNBSA-N 0 0 335.359 2.823 50 0 EFAARN Cc1ccc([C@H](C(=O)[O-])[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C)c1 ZINC000095353836 301778055 /nfs/dbraw/zinc/77/80/55/301778055.db2.gz QVISYNWOVDJZPR-GOSISDBHSA-N 0 0 344.455 2.764 50 0 EFAARN Cc1nn(C)c2c1[C@@H](c1cc(F)ccc1-n1cccn1)CC(=O)N2 ZINC000065434665 302788732 /nfs/dbraw/zinc/78/87/32/302788732.db2.gz HZWJVLXSBVCICY-CYBMUJFWSA-N 0 0 325.347 2.527 50 0 EFAARN COc1cn(C)c(C(=O)Nc2nc3ccc(C)cc3s2)cc1=O ZINC000071282509 441144025 /nfs/dbraw/zinc/14/40/25/441144025.db2.gz HSTKUKLLEUQPGS-UHFFFAOYSA-N 0 0 329.381 2.564 50 0 EFAARN CC(C)(C)OC(=O)N1CCC(CC(=O)N2Cc3cccnc3C2)CC1 ZINC000496418062 315059717 /nfs/dbraw/zinc/05/97/17/315059717.db2.gz SUAGEWBNESNYPA-UHFFFAOYSA-N 0 0 345.443 2.961 50 0 EFAARN Cc1cc(S(=O)(=O)NCC[C@H]2CCCOC2)c(Cl)cc1F ZINC000528452326 316627214 /nfs/dbraw/zinc/62/72/14/316627214.db2.gz VWCKTOINARVPLO-LLVKDONJSA-N 0 0 335.828 2.883 50 0 EFAARN CCO[C@H](C)c1noc(CN2Cc3cnn(-c4ccccc4)c3C2)n1 ZINC000550158963 318188928 /nfs/dbraw/zinc/18/89/28/318188928.db2.gz NGUJDIQJNMMHSM-CYBMUJFWSA-N 0 0 339.399 2.869 50 0 EFAARN COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2C)nc1C ZINC000000309437 462553190 /nfs/dbraw/zinc/55/31/90/462553190.db2.gz LHUIGJHAAYJIPJ-UHFFFAOYSA-N 0 0 349.437 2.673 50 0 EFAARN COC(=O)c1nc(NC(=O)c2cc(-c3cccs3)[nH]n2)sc1C ZINC000095476321 463092336 /nfs/dbraw/zinc/09/23/36/463092336.db2.gz KMUNRVGLWBLZMT-UHFFFAOYSA-N 0 0 348.409 2.942 50 0 EFAARN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccn1 ZINC000041095580 472044517 /nfs/dbraw/zinc/04/45/17/472044517.db2.gz ZSGWZFMQFWBEOD-UHFFFAOYSA-N 0 0 334.441 2.866 50 0 EFAARN C[C@H](Cc1ccsc1)NC(=O)c1ccccc1N1CCOCC1 ZINC000058406371 472564489 /nfs/dbraw/zinc/56/44/89/472564489.db2.gz PAMMFISVDBSXRQ-CQSZACIVSA-N 0 0 330.453 2.946 50 0 EFAARN COc1ccccc1OCCNC(=O)c1csc(-n2cccc2)n1 ZINC000095476675 473211250 /nfs/dbraw/zinc/21/12/50/473211250.db2.gz FIHNXPUOQLOQFD-UHFFFAOYSA-N 0 0 343.408 2.751 50 0 EFAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@H](c2ccnn2C)S1 ZINC000095475249 473211349 /nfs/dbraw/zinc/21/13/49/473211349.db2.gz CIYPBKXKRIUBRT-ZDUSSCGKSA-N 0 0 333.417 2.560 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 ZINC000095473463 473211357 /nfs/dbraw/zinc/21/13/57/473211357.db2.gz KBWDOXMWDDETAV-AWEZNQCLSA-N 0 0 343.383 2.660 50 0 EFAARN CC(C)n1cc(C(=O)NCCCN2CCOCC2)c2ccccc21 ZINC000095473153 473211153 /nfs/dbraw/zinc/21/11/53/473211153.db2.gz LZUIUADQEXTFKJ-UHFFFAOYSA-N 0 0 329.444 2.674 50 0 EFAARN Cn1nc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000095473409 473211742 /nfs/dbraw/zinc/21/17/42/473211742.db2.gz OOHUHLVTWDEFQR-UHFFFAOYSA-N 0 0 333.395 2.812 50 0 EFAARN COC(=O)C[C@H](c1ccc(Br)s1)c1c(C)[nH][nH]c1=O ZINC000095475362 473211763 /nfs/dbraw/zinc/21/17/63/473211763.db2.gz RYFJXTMSRXKCCC-SSDOTTSWSA-N 0 0 345.218 2.943 50 0 EFAARN Cn1c(C(=O)NCc2nnc3ccccn32)cc2cc(Cl)ccc21 ZINC000095476547 473211864 /nfs/dbraw/zinc/21/18/64/473211864.db2.gz FDTPFVYPVDJFJT-UHFFFAOYSA-N 0 0 339.786 2.804 50 0 EFAARN O=C(c1csc(-n2cccc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000095474828 473211936 /nfs/dbraw/zinc/21/19/36/473211936.db2.gz PIHRFXJSFAIHMN-GUYCJALGSA-N 0 0 331.441 2.701 50 0 EFAARN CN(C(=O)CN1CCCCCCCC1=O)C1Cc2ccccc2C1 ZINC000095507560 473215607 /nfs/dbraw/zinc/21/56/07/473215607.db2.gz HXBOLSPUGBXEEL-UHFFFAOYSA-N 0 0 328.456 2.795 50 0 EFAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nnc(C3CC3)s2)c1C ZINC000095479855 473212886 /nfs/dbraw/zinc/21/28/86/473212886.db2.gz IJDFTAPVVQRTJU-UHFFFAOYSA-N 0 0 334.401 2.789 50 0 EFAARN CCOC(=O)N1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1 ZINC000095478980 473212944 /nfs/dbraw/zinc/21/29/44/473212944.db2.gz GWEZWCGHOFMCNJ-UHFFFAOYSA-N 0 0 347.459 2.838 50 0 EFAARN O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 ZINC000095478065 473213017 /nfs/dbraw/zinc/21/30/17/473213017.db2.gz NCSMSJLOQLSGMV-OAHLLOKOSA-N 0 0 345.424 2.952 50 0 EFAARN OC1CCN(c2ccnc(C[C@@H]3CCOc4ccccc4C3)n2)CC1 ZINC000095507316 473215661 /nfs/dbraw/zinc/21/56/61/473215661.db2.gz KSMJCUJANLDPSA-OAHLLOKOSA-N 0 0 339.439 2.622 50 0 EFAARN Cc1cc(C)n(Cc2ccc(N3CCC[C@@]4(CCOC4)C3)nc2)n1 ZINC000095498331 473213043 /nfs/dbraw/zinc/21/30/43/473213043.db2.gz GLMPMCFHXPGUJT-LJQANCHMSA-N 0 0 326.444 2.950 50 0 EFAARN COc1cccc2c1OC[C@@H](Cc1cc(C)ccc1OCC(N)=O)C2 ZINC000095498335 473213219 /nfs/dbraw/zinc/21/32/19/473213219.db2.gz ANUPECMPHQSOSC-CQSZACIVSA-N 0 0 341.407 2.662 50 0 EFAARN COCCn1ccnc1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000095497016 473213740 /nfs/dbraw/zinc/21/37/40/473213740.db2.gz SWNVPPIQTYWWQP-UHFFFAOYSA-N 0 0 345.418 2.617 50 0 EFAARN O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@@H]1c1nccs1 ZINC000095498466 473213918 /nfs/dbraw/zinc/21/39/18/473213918.db2.gz UJHGAJOPZWOSHV-OAHLLOKOSA-N 0 0 341.436 2.786 50 0 EFAARN O=C(Nc1cc(F)ccc1Cl)N1CCC(N2CCOCC2)CC1 ZINC000095497549 473213999 /nfs/dbraw/zinc/21/39/99/473213999.db2.gz VFGMAPSXUUXTHT-UHFFFAOYSA-N 0 0 341.814 2.808 50 0 EFAARN O=C(CN1CC2(CCCC2)CC1=O)N1CC[C@H](c2ccccc2F)C1 ZINC000095503380 473214275 /nfs/dbraw/zinc/21/42/75/473214275.db2.gz LIBKEABRLMIMJQ-HNNXBMFYSA-N 0 0 344.430 2.934 50 0 EFAARN CC1(C)OC(=O)N(CC(=O)N(Cc2ccccc2)CC2CCC2)C1=O ZINC000095503682 473215785 /nfs/dbraw/zinc/21/57/85/473215785.db2.gz VGZXEHMXIFHKHJ-UHFFFAOYSA-N 0 0 344.411 2.573 50 0 EFAARN Cc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 ZINC000095501774 473214909 /nfs/dbraw/zinc/21/49/09/473214909.db2.gz NTBUEMUPXRGQMN-UHFFFAOYSA-N 0 0 334.427 2.809 50 0 EFAARN CCc1nc(C)ccc1OCC(=O)NC[C@H]1COc2ccccc2C1 ZINC000095506197 473215876 /nfs/dbraw/zinc/21/58/76/473215876.db2.gz GPMUNBWYQJVOTA-HNNXBMFYSA-N 0 0 340.423 2.699 50 0 EFAARN COCCn1ccnc1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000095508019 473216540 /nfs/dbraw/zinc/21/65/40/473216540.db2.gz MDSRZGZYONWIKG-UHFFFAOYSA-N 0 0 346.431 2.661 50 0 EFAARN Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095508876 473216659 /nfs/dbraw/zinc/21/66/59/473216659.db2.gz DLQXVFWTYUSBOQ-QGZVFWFLSA-N 0 0 349.438 2.685 50 0 EFAARN Cc1ccccc1[C@H](C(=O)NCCC(=O)NC1CCCCC1)N(C)C ZINC000095511915 473216915 /nfs/dbraw/zinc/21/69/15/473216915.db2.gz JGSWEDMTQMLTSH-LJQANCHMSA-N 0 0 345.487 2.553 50 0 EFAARN Cn1cccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095508875 473217084 /nfs/dbraw/zinc/21/70/84/473217084.db2.gz DLQXVFWTYUSBOQ-KRWDZBQOSA-N 0 0 349.438 2.685 50 0 EFAARN COCc1ccc(C(=O)NC[C@@H]2COc3c(cccc3OC)C2)s1 ZINC000095508936 473217099 /nfs/dbraw/zinc/21/70/99/473217099.db2.gz PSVUHVVGEZRQOG-GFCCVEGCSA-N 0 0 347.436 2.884 50 0 EFAARN Cc1nn(C)c2nc(N3CCC[C@@H](OCc4ccccn4)C3)sc12 ZINC000095511248 473217131 /nfs/dbraw/zinc/21/71/31/473217131.db2.gz XBMHMHLHHJDULY-CQSZACIVSA-N 0 0 343.456 2.919 50 0 EFAARN CC(C)c1nccn1[C@H](C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000095517381 473217588 /nfs/dbraw/zinc/21/75/88/473217588.db2.gz FXZMSECSQZLKBT-CYBMUJFWSA-N 0 0 329.400 2.655 50 0 EFAARN CCc1nc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)cs1 ZINC000095513271 473217663 /nfs/dbraw/zinc/21/76/63/473217663.db2.gz WONUCHUCKVISPP-RDTXWAMCSA-N 0 0 344.436 2.768 50 0 EFAARN Cc1ccc2nsnc2c1NC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000095519890 473219391 /nfs/dbraw/zinc/21/93/91/473219391.db2.gz APQSKMWCUYPIIB-SNVBAGLBSA-N 0 0 343.416 2.529 50 0 EFAARN CCCc1cc(N2CCC(N(C)Cc3nnc(C)o3)CC2)nc(C)n1 ZINC000095520750 473219436 /nfs/dbraw/zinc/21/94/36/473219436.db2.gz JKNGXDVFKREDBR-UHFFFAOYSA-N 0 0 344.463 2.530 50 0 EFAARN Cc1cc(C)c(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)cn1 ZINC000095525310 473219918 /nfs/dbraw/zinc/21/99/18/473219918.db2.gz PJKYGXRLRGUQGW-UHFFFAOYSA-N 0 0 348.406 2.877 50 0 EFAARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc2n[nH]cc2c1 ZINC000095523604 473220023 /nfs/dbraw/zinc/22/00/23/473220023.db2.gz DSSFPOUDSRUHEJ-HNNXBMFYSA-N 0 0 326.404 2.996 50 0 EFAARN Cc1cc2cc(NC(=O)NCCS(=O)(=O)CC(C)C)ccc2o1 ZINC000095524747 473220228 /nfs/dbraw/zinc/22/02/28/473220228.db2.gz IQFHFMIXMBKWOU-UHFFFAOYSA-N 0 0 338.429 2.934 50 0 EFAARN Cc1ccccc1[C@@H](C(=O)N(C)CC(=O)c1ccc(O)cc1)N(C)C ZINC000095527302 473220863 /nfs/dbraw/zinc/22/08/63/473220863.db2.gz RIFNHZQHVVTOFB-IBGZPJMESA-N 0 0 340.423 2.645 50 0 EFAARN Cc1cc(NC(=O)NCCSc2nccn2C)n([C@@H](C)C2CC2)n1 ZINC000095527810 473221087 /nfs/dbraw/zinc/22/10/87/473221087.db2.gz XLNXJEGGCLMHOG-LBPRGKRZSA-N 0 0 348.476 2.810 50 0 EFAARN CCOc1ccc(C(=O)NC[C@H]2COc3cc(OC)ccc3C2)o1 ZINC000095525976 473221123 /nfs/dbraw/zinc/22/11/23/473221123.db2.gz ZDWOQHHRIFBYMW-LBPRGKRZSA-N 0 0 331.368 2.668 50 0 EFAARN CCc1nc(N2CCC(c3nccn3Cc3ccccn3)CC2)no1 ZINC000095527195 473221152 /nfs/dbraw/zinc/22/11/52/473221152.db2.gz DQFFUWMZSZZLJZ-UHFFFAOYSA-N 0 0 338.415 2.656 50 0 EFAARN O=C(Nc1cccc(-c2cnco2)c1)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000095529651 473221312 /nfs/dbraw/zinc/22/13/12/473221312.db2.gz QZHSKOMQIIOOGW-KDOFPFPSSA-N 0 0 327.384 2.968 50 0 EFAARN O=C(C1CCCCC1)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095529743 473221335 /nfs/dbraw/zinc/22/13/35/473221335.db2.gz 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/nfs/dbraw/zinc/28/61/62/473286162.db2.gz FYWPRYPCQRNCGK-KRWDZBQOSA-N 0 0 349.438 2.977 50 0 EFAARN COc1ccc(CNC(=O)CCc2c(C)nn(C)c2C)c(F)c1F ZINC000082087650 473286289 /nfs/dbraw/zinc/28/62/89/473286289.db2.gz IFCNJEDJXNLSAA-UHFFFAOYSA-N 0 0 337.370 2.573 50 0 EFAARN COc1cc(C)c(-c2nccn2CCc2nncn2C)c(C)c1C ZINC000082091565 473286435 /nfs/dbraw/zinc/28/64/35/473286435.db2.gz HYKPIGABYYKRHP-UHFFFAOYSA-N 0 0 325.416 2.855 50 0 EFAARN CCn1cnnc1CCn1ccnc1-c1cccc(-n2cccn2)c1 ZINC000082096603 473286948 /nfs/dbraw/zinc/28/69/48/473286948.db2.gz UYRPIIZVEAXPDW-UHFFFAOYSA-N 0 0 333.399 2.590 50 0 EFAARN COc1cc(F)c(-c2nccn2-c2ccc(C(N)=O)cc2)c(F)c1 ZINC000082097013 473287363 /nfs/dbraw/zinc/28/73/63/473287363.db2.gz CRWYWLNZJYTMLV-UHFFFAOYSA-N 0 0 329.306 2.925 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1CCn1cccn1 ZINC000082097757 473287438 /nfs/dbraw/zinc/28/74/38/473287438.db2.gz OLZQSYBCSFXHMZ-MRXNPFEDSA-N 0 0 330.432 2.892 50 0 EFAARN Cc1cccc(C)c1OC1CN(C(=O)c2ccc(CN(C)C)o2)C1 ZINC000082097470 473287539 /nfs/dbraw/zinc/28/75/39/473287539.db2.gz IJKMWFMNSWTOKV-UHFFFAOYSA-N 0 0 328.412 2.861 50 0 EFAARN COc1cccc(OC2CN(C(=O)[C@@H]3COc4ccccc4C3)C2)c1 ZINC000082098332 473287923 /nfs/dbraw/zinc/28/79/23/473287923.db2.gz STKMWLZNNVDFAS-HNNXBMFYSA-N 0 0 339.391 2.536 50 0 EFAARN O=C([O-])C1(Oc2cccc(F)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000082098548 473288149 /nfs/dbraw/zinc/28/81/49/473288149.db2.gz ULVDNVHKMZIJOU-UHFFFAOYSA-N 0 0 330.359 2.719 50 0 EFAARN Cc1nc(N(C)C)ncc1C(=O)N(C)Cc1cccc2ncccc12 ZINC000082106397 473288694 /nfs/dbraw/zinc/28/86/94/473288694.db2.gz QQNAJNVYABGSSH-UHFFFAOYSA-N 0 0 335.411 2.671 50 0 EFAARN Cc1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)cc(=O)[nH]1 ZINC000082107215 473288841 /nfs/dbraw/zinc/28/88/41/473288841.db2.gz XJNWXJALARJDOA-UHFFFAOYSA-N 0 0 348.406 2.646 50 0 EFAARN Cc1nc(CCNC(=O)c2cc(C(C)C)nn2C)sc1Cl ZINC000082106806 473289389 /nfs/dbraw/zinc/28/93/89/473289389.db2.gz KXHWVUQZMSQUBT-UHFFFAOYSA-N 0 0 326.853 2.934 50 0 EFAARN Cc1nc(SCCNC(=O)c2cc(C)nc3cc(F)ccc32)n[nH]1 ZINC000082106675 473289535 /nfs/dbraw/zinc/28/95/35/473289535.db2.gz RAGWQRZFBKSDNL-UHFFFAOYSA-N 0 0 345.403 2.631 50 0 EFAARN Cc1cnc(C(=O)N2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000082107179 473289677 /nfs/dbraw/zinc/28/96/77/473289677.db2.gz BGKBVSXFHKPFBX-CQSZACIVSA-N 0 0 335.411 2.990 50 0 EFAARN CN(C)c1nccnc1N1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082109595 473290906 /nfs/dbraw/zinc/29/09/06/473290906.db2.gz CBEISZNNGRDDFZ-HNNXBMFYSA-N 0 0 326.448 2.533 50 0 EFAARN O=C(NC[C@@H](O)c1ccncc1)c1csc(-c2cccs2)n1 ZINC000082108490 473290971 /nfs/dbraw/zinc/29/09/71/473290971.db2.gz KEDWQIFYORCXPQ-GFCCVEGCSA-N 0 0 331.422 2.730 50 0 EFAARN Cc1ncsc1CCC(=O)NCCN1CCCc2ccccc21 ZINC000082109490 473291189 /nfs/dbraw/zinc/29/11/89/473291189.db2.gz MBAQWTJXZDMTFH-UHFFFAOYSA-N 0 0 329.469 2.953 50 0 EFAARN Cc1ccc(N2C[C@H](C)N(C(=O)Cc3ccc(O)cc3)CC2=O)cc1 ZINC000082115632 473291363 /nfs/dbraw/zinc/29/13/63/473291363.db2.gz QKEOQMUQRQVKOH-HNNXBMFYSA-N 0 0 338.407 2.507 50 0 EFAARN CN(C)c1ccc(CC(=O)N2CCCC[C@@H]2CCn2cccn2)cc1 ZINC000082115366 473291392 /nfs/dbraw/zinc/29/13/92/473291392.db2.gz UJPPHTCCJKLCDG-LJQANCHMSA-N 0 0 340.471 2.963 50 0 EFAARN Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1cnn2ccccc12 ZINC000082134830 473294561 /nfs/dbraw/zinc/29/45/61/473294561.db2.gz YABFBEMFJAWJQL-HNNXBMFYSA-N 0 0 337.427 2.695 50 0 EFAARN Nc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)n1 ZINC000082121884 473292710 /nfs/dbraw/zinc/29/27/10/473292710.db2.gz BGLUGMWBWVMGTK-MRXNPFEDSA-N 0 0 334.427 2.688 50 0 EFAARN Cc1ccc(N2CCN(C(=O)c3cc(C(C)C)on3)CC2=O)cc1 ZINC000082120094 473293179 /nfs/dbraw/zinc/29/31/79/473293179.db2.gz NPWXUSCXVCMYON-UHFFFAOYSA-N 0 0 327.384 2.595 50 0 EFAARN O=C(Cn1cnc2ccccc21)N1CCC(Oc2ccccn2)CC1 ZINC000096096842 473294566 /nfs/dbraw/zinc/29/45/66/473294566.db2.gz CZQVEURNXIZMPZ-UHFFFAOYSA-N 0 0 336.395 2.501 50 0 EFAARN O=C(c1ncc[nH]1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082134679 473293402 /nfs/dbraw/zinc/29/34/02/473293402.db2.gz XTMDQAJTSVRXKB-INIZCTEOSA-N 0 0 335.411 2.674 50 0 EFAARN Cc1oc2c(c1C(=O)N1Cc3ccccc3[C@@H](O)C1)C(=O)CCC2 ZINC000082133471 473293516 /nfs/dbraw/zinc/29/35/16/473293516.db2.gz GCRWJZZPKJSVEX-HNNXBMFYSA-N 0 0 325.364 2.796 50 0 EFAARN O=C(Cc1ccc(O)cc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082125435 473294253 /nfs/dbraw/zinc/29/42/53/473294253.db2.gz UYMOUJHERLSRNE-QGZVFWFLSA-N 0 0 339.439 2.947 50 0 EFAARN COc1ccccc1OC1(C(=O)[O-])CC[NH+](Cc2cccnc2)CC1 ZINC000082136761 473294410 /nfs/dbraw/zinc/29/44/10/473294410.db2.gz XUHXLTBQPCCCRV-UHFFFAOYSA-N 0 0 342.395 2.588 50 0 EFAARN CCCc1cc(C(=O)N(C)Cc2cc(-c3cccnc3)no2)no1 ZINC000082133414 473294429 /nfs/dbraw/zinc/29/44/29/473294429.db2.gz UCWJYUSWRGOPTD-UHFFFAOYSA-N 0 0 326.356 2.949 50 0 EFAARN Cc1ncsc1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000082125829 473294473 /nfs/dbraw/zinc/29/44/73/473294473.db2.gz LXPYJAFBLCZAHI-MRXNPFEDSA-N 0 0 345.468 2.987 50 0 EFAARN O=C(NCCn1ccc(-c2ccccn2)n1)c1cc(-c2ccco2)on1 ZINC000096098879 473294987 /nfs/dbraw/zinc/29/49/87/473294987.db2.gz RWPBAYSIFCEJSE-UHFFFAOYSA-N 0 0 349.350 2.623 50 0 EFAARN CCOc1ncc(NC(=O)c2cccc(OC)c2OC)c(OCC)n1 ZINC000096098732 473294994 /nfs/dbraw/zinc/29/49/94/473294994.db2.gz QKIMFCJBQUTLEW-UHFFFAOYSA-N 0 0 347.371 2.544 50 0 EFAARN O=S(=O)(NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1F ZINC000096097281 473295202 /nfs/dbraw/zinc/29/52/02/473295202.db2.gz QNQLRBAYAKXDBQ-CQSZACIVSA-N 0 0 349.383 2.974 50 0 EFAARN CSc1ccc([C@@H](O)CNC(=O)c2cccc(N(C)C)c2)cc1 ZINC000096103064 473295670 /nfs/dbraw/zinc/29/56/70/473295670.db2.gz BXWKDXWSCPFZQC-KRWDZBQOSA-N 0 0 330.453 2.938 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2cc(C)ccc2C)CC1=O ZINC000082138845 473295597 /nfs/dbraw/zinc/29/55/97/473295597.db2.gz JKVQCWUHXGQXGD-UHFFFAOYSA-N 0 0 338.407 2.801 50 0 EFAARN COc1cc2c(cc1CNC(=O)CCc1c(C)nn(C)c1C)CCC2 ZINC000082156182 473295858 /nfs/dbraw/zinc/29/58/58/473295858.db2.gz YSIMXABPUZBSFN-UHFFFAOYSA-N 0 0 341.455 2.783 50 0 EFAARN O=C(Cn1ccc2ccccc21)NC1CCN(c2nccs2)CC1 ZINC000096099819 473296876 /nfs/dbraw/zinc/29/68/76/473296876.db2.gz MJBWDGPUVAKHCA-UHFFFAOYSA-N 0 0 340.452 2.883 50 0 EFAARN O=C(Nc1cnn(C2CCOCC2)c1)C(=O)c1c[nH]c2ccccc12 ZINC000096104600 473296998 /nfs/dbraw/zinc/29/69/98/473296998.db2.gz SOUWKORXARQUCL-UHFFFAOYSA-N 0 0 338.367 2.537 50 0 EFAARN CO[C@@H](CNS(=O)(=O)CCc1ccccc1)c1ccc(C)s1 ZINC000096104791 473297506 /nfs/dbraw/zinc/29/75/06/473297506.db2.gz RNNMDZPLDBFMBN-HNNXBMFYSA-N 0 0 339.482 2.906 50 0 EFAARN Cn1cnnc1CC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000082157226 473297933 /nfs/dbraw/zinc/29/79/33/473297933.db2.gz JAHJQWDDVMPAGX-UHFFFAOYSA-N 0 0 337.427 2.925 50 0 EFAARN Cc1cc(C(=O)N[C@@H](C)c2nnc(N)s2)c2cccc(C)c2n1 ZINC000082161857 473297945 /nfs/dbraw/zinc/29/79/45/473297945.db2.gz YGAHWKKZJZTCMC-JTQLQIEISA-N 0 0 327.413 2.776 50 0 EFAARN COc1cccc(N2CCN(C(=O)c3ccc(F)c(C)c3)CC2=O)c1 ZINC000082156908 473298038 /nfs/dbraw/zinc/29/80/38/473298038.db2.gz SWTCPWLQOAVAHL-UHFFFAOYSA-N 0 0 342.370 2.632 50 0 EFAARN O=C(C1CCOCC1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000082156543 473298245 /nfs/dbraw/zinc/29/82/45/473298245.db2.gz FNXLQQKDUWIISL-AWEZNQCLSA-N 0 0 327.428 2.771 50 0 EFAARN O=C(NCCNc1cccnc1)c1csc(Cc2ccccc2)n1 ZINC000082126289 473294685 /nfs/dbraw/zinc/29/46/85/473294685.db2.gz XNNMGRXMTYKTAV-UHFFFAOYSA-N 0 0 338.436 2.971 50 0 EFAARN Cc1ncc(CO)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000096113721 473305164 /nfs/dbraw/zinc/30/51/64/473305164.db2.gz UYXPEPQANCYZLE-UHFFFAOYSA-N 0 0 325.320 2.631 50 0 biogenic EFAARN O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096116199 473305354 /nfs/dbraw/zinc/30/53/54/473305354.db2.gz XOIAWGFRUAKWPI-CJNGLKHVSA-N 0 0 333.391 2.589 50 0 biogenic EFAARN C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000096118699 473306946 /nfs/dbraw/zinc/30/69/46/473306946.db2.gz WDLPUPWAGRGHGW-ZBEGNZNMSA-N 0 0 334.379 2.615 50 0 EFAARN O=C(NCCCN1CCCC1=O)c1cccc(Oc2ccccn2)c1 ZINC000096122663 473307899 /nfs/dbraw/zinc/30/78/99/473307899.db2.gz MFNLASONSGKLHQ-UHFFFAOYSA-N 0 0 339.395 2.616 50 0 EFAARN Cc1c(C(=O)Nc2cnn([C@@H]3CCOC3)c2)cnn1-c1ccccc1 ZINC000096123024 473308216 /nfs/dbraw/zinc/30/82/16/473308216.db2.gz QNCGJKAQQNMLOL-MRXNPFEDSA-N 0 0 337.383 2.591 50 0 EFAARN CO[C@@](C)(CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1F ZINC000096123472 473308241 /nfs/dbraw/zinc/30/82/41/473308241.db2.gz ZPLNEYRLUUURRJ-SFHVURJKSA-N 0 0 331.343 2.846 50 0 EFAARN COc1cccc2c1ccn2CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000096125625 473308271 /nfs/dbraw/zinc/30/82/71/473308271.db2.gz NXVOIJNFTWYQDK-MGPUTAFESA-N 0 0 342.439 2.804 50 0 biogenic EFAARN CO[C@@H]1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000096122379 473308338 /nfs/dbraw/zinc/30/83/38/473308338.db2.gz ZYPBTRHRZVKGAN-GOSISDBHSA-N 0 0 346.452 2.854 50 0 EFAARN CO[C@H]1CCCN(c2ccc(NC(=O)c3cnc(C)cn3)cc2)C1 ZINC000096122482 473308558 /nfs/dbraw/zinc/30/85/58/473308558.db2.gz KCNIBELKWPEYRU-INIZCTEOSA-N 0 0 326.400 2.653 50 0 EFAARN c1cc(-c2nc([C@H]3CCOC3)no2)oc1CSc1ncccn1 ZINC000096130510 473309387 /nfs/dbraw/zinc/30/93/87/473309387.db2.gz KMBIODGHGJFEIE-JTQLQIEISA-N 0 0 330.369 2.916 50 0 EFAARN COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C)c(OC)c1 ZINC000096130903 473310378 /nfs/dbraw/zinc/31/03/78/473310378.db2.gz UDWZIKJUPJCRJV-ZDUSSCGKSA-N 0 0 347.419 2.514 50 0 EFAARN Cc1ccc(NC(=O)NCCc2c[nH]cn2)cc1NC(=O)C(C)C ZINC000096148924 473314794 /nfs/dbraw/zinc/31/47/94/473314794.db2.gz REHYZIVXWDZZJN-UHFFFAOYSA-N 0 0 329.404 2.677 50 0 EFAARN Cc1cc(Cl)cc(C)c1NC(=O)N(CCO)Cc1nccn1C ZINC000096136194 473310919 /nfs/dbraw/zinc/31/09/19/473310919.db2.gz MSURBKQCVZRNMW-UHFFFAOYSA-N 0 0 336.823 2.717 50 0 EFAARN CC[C@H](CO)N(Cc1ccncc1)C(=O)Nc1cccc(N(C)C)c1 ZINC000096138498 473311798 /nfs/dbraw/zinc/31/17/98/473311798.db2.gz BYUAYPSSKYCAPG-QGZVFWFLSA-N 0 0 342.443 2.953 50 0 EFAARN Cc1noc(C)c1-c1nc(C2CCOCC2)nn1-c1cccnc1 ZINC000096139889 473312556 /nfs/dbraw/zinc/31/25/56/473312556.db2.gz CEHOEOLZMXNUOI-UHFFFAOYSA-N 0 0 325.372 2.828 50 0 EFAARN Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1 ZINC000096141465 473312672 /nfs/dbraw/zinc/31/26/72/473312672.db2.gz GGXXFMYCDQAWGE-UHFFFAOYSA-N 0 0 331.326 2.830 50 0 EFAARN Cc1nc(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cs1 ZINC000096141691 473312720 /nfs/dbraw/zinc/31/27/20/473312720.db2.gz ZNOFQLXCHNKZTQ-CQSZACIVSA-N 0 0 348.468 2.919 50 0 EFAARN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(C)nc2)C3)cc1 ZINC000096142129 473312883 /nfs/dbraw/zinc/31/28/83/473312883.db2.gz LSJUSQREEBWPIF-UHFFFAOYSA-N 0 0 348.406 2.987 50 0 EFAARN Cc1noc(C)c1NC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000096141661 473313231 /nfs/dbraw/zinc/31/32/31/473313231.db2.gz DSDPAPIIGBTMTJ-UHFFFAOYSA-N 0 0 340.387 2.746 50 0 EFAARN CN(CC1CCOCC1)c1ncnc2c1Cc1ccccc1OC2 ZINC000096139665 473313303 /nfs/dbraw/zinc/31/33/03/473313303.db2.gz VBSAPSREWRQYCX-UHFFFAOYSA-N 0 0 325.412 2.823 50 0 EFAARN C1CCN(c2nc3c(c(-c4nc([C@H]5CCOC5)no4)n2)CCCC3)C1 ZINC000096141657 473313311 /nfs/dbraw/zinc/31/33/11/473313311.db2.gz WMSBKIKRQBMZCY-LBPRGKRZSA-N 0 0 341.415 2.510 50 0 EFAARN CCS[C@H](C)c1nc(CC(N)=O)nn1Cc1ccc(CC)cc1 ZINC000096140835 473313363 /nfs/dbraw/zinc/31/33/63/473313363.db2.gz RFMONINMYDUEGZ-GFCCVEGCSA-N 0 0 332.473 2.731 50 0 EFAARN Cc1ccc(-n2cnnc2)cc1NC(=O)N[C@H]1COC2(CCCC2)C1 ZINC000096142141 473313476 /nfs/dbraw/zinc/31/34/76/473313476.db2.gz ZSHMPJAOTCPFPK-CQSZACIVSA-N 0 0 341.415 2.799 50 0 EFAARN Cc1nnc(-c2ccccc2-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000096150128 473314159 /nfs/dbraw/zinc/31/41/59/473314159.db2.gz IODMLWLYUAPNDG-UHFFFAOYSA-N 0 0 343.408 2.962 50 0 EFAARN COc1ccc(C(C)=O)cc1NC(=O)NCc1csc(N(C)C)n1 ZINC000096150136 473314421 /nfs/dbraw/zinc/31/44/21/473314421.db2.gz YOQGCQAUJUNLAW-UHFFFAOYSA-N 0 0 348.428 2.742 50 0 EFAARN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2cccnc2)C3)c1 ZINC000096151010 473314741 /nfs/dbraw/zinc/31/47/41/473314741.db2.gz DBFYBWPMSSWQJH-UHFFFAOYSA-N 0 0 334.379 2.679 50 0 EFAARN Cn1cnc2cc(C(=O)NC[C@@H]3CCOc4ccccc4C3)ccc21 ZINC000096149714 473315253 /nfs/dbraw/zinc/31/52/53/473315253.db2.gz IWAAGWVVERYJSH-CQSZACIVSA-N 0 0 335.407 2.945 50 0 EFAARN C[C@H]1CNC(=O)CCN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000096149385 473315278 /nfs/dbraw/zinc/31/52/78/473315278.db2.gz LZEXRLIQSVBCOP-QMMMGPOBSA-N 0 0 333.285 2.587 50 0 EFAARN CCNC(=O)c1ccc(-c2ccccc2CN2CCOCC2)s1 ZINC000096148024 473315377 /nfs/dbraw/zinc/31/53/77/473315377.db2.gz MQGKCEODXCIQHQ-UHFFFAOYSA-N 0 0 330.453 2.997 50 0 EFAARN Cc1cc2cccc(-c3nc(C4CCOCC4)nn3CCO)c2o1 ZINC000096153125 473316822 /nfs/dbraw/zinc/31/68/22/473316822.db2.gz AJCNTVTYHQOYAU-UHFFFAOYSA-N 0 0 327.384 2.886 50 0 EFAARN CCCSc1ccccc1NC(=O)NCCc1nnc(N)s1 ZINC000096160683 473320419 /nfs/dbraw/zinc/32/04/19/473320419.db2.gz XENOKYGBFIGHSY-UHFFFAOYSA-N 0 0 337.474 2.987 50 0 EFAARN Cc1ccccc1[C@@]1(O)CCN(c2nccc(-c3cccnc3)n2)C1 ZINC000096161184 473320429 /nfs/dbraw/zinc/32/04/29/473320429.db2.gz SEFFWWJSHJYSLX-HXUWFJFHSA-N 0 0 332.407 2.945 50 0 EFAARN CC(C)(C)N1C[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CC1=O ZINC000096166404 473320834 /nfs/dbraw/zinc/32/08/34/473320834.db2.gz ONMATXWLTURHQB-LLVKDONJSA-N 0 0 325.372 2.727 50 0 EFAARN Cc1ccc(C(=O)N2CCC(c3nc([C@@H]4CCOC4)no3)CC2)cc1 ZINC000096163380 473321130 /nfs/dbraw/zinc/32/11/30/473321130.db2.gz BGJWBLLUPUIFOB-MRXNPFEDSA-N 0 0 341.411 2.902 50 0 EFAARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000096164229 473321766 /nfs/dbraw/zinc/32/17/66/473321766.db2.gz JVSPUHOIFZZSTR-AWEZNQCLSA-N 0 0 349.412 2.604 50 0 EFAARN CCOc1ccc(C(=O)CCC(=O)N2CCc3[nH]cnc3C2)cc1C ZINC000096166456 473322089 /nfs/dbraw/zinc/32/20/89/473322089.db2.gz MSZQJRBRBKBQSJ-UHFFFAOYSA-N 0 0 341.411 2.665 50 0 EFAARN Cc1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1F ZINC000096171297 473323204 /nfs/dbraw/zinc/32/32/04/473323204.db2.gz RDWUSAITSAUDNI-UHFFFAOYSA-N 0 0 342.779 2.687 50 0 EFAARN CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000096171109 473323312 /nfs/dbraw/zinc/32/33/12/473323312.db2.gz TVTUDDSRKPUDJD-NSHDSACASA-N 0 0 346.880 2.934 50 0 EFAARN CCN(CCn1cccn1)C(=O)Nc1ccc(C(=O)OC)cc1C ZINC000096180768 473323593 /nfs/dbraw/zinc/32/35/93/473323593.db2.gz LDPLUWKOPFOMFS-UHFFFAOYSA-N 0 0 330.388 2.532 50 0 EFAARN Cc1nc2c(c(NCc3cccnc3N)n1)Cc1ccccc1OC2 ZINC000096160130 473320364 /nfs/dbraw/zinc/32/03/64/473320364.db2.gz DTSSPNOUUIOLKV-UHFFFAOYSA-N 0 0 333.395 2.858 50 0 EFAARN COc1ccc(OCC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1 ZINC000150750706 473347174 /nfs/dbraw/zinc/34/71/74/473347174.db2.gz OIEXONGETDZSPM-CYBMUJFWSA-N 0 0 340.379 2.695 50 0 EFAARN FC(F)(Cl)c1nnc2sc(-c3cccn4ccnc34)nn21 ZINC000096223061 473354959 /nfs/dbraw/zinc/35/49/59/473354959.db2.gz CUWISKKTDXFDSC-UHFFFAOYSA-N 0 0 326.719 2.789 50 0 EFAARN C[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2[nH]1 ZINC000096232766 473360687 /nfs/dbraw/zinc/36/06/87/473360687.db2.gz UUDZESHZVNMVHP-NSHDSACASA-N 0 0 332.367 2.839 50 0 EFAARN COC(=O)C[C@@H](c1ccco1)c1c(=O)[nH][nH]c1Cc1ccccc1 ZINC000096231001 473360980 /nfs/dbraw/zinc/36/09/80/473360980.db2.gz FMCABVUIIFRCDF-ZDUSSCGKSA-N 0 0 326.352 2.994 50 0 EFAARN COCc1nc2nccc(-c3ccc(Br)s3)n2n1 ZINC000096345170 473374925 /nfs/dbraw/zinc/37/49/25/473374925.db2.gz OTQIJVBDFSIBKN-UHFFFAOYSA-N 0 0 325.191 2.762 50 0 EFAARN CN1CCc2cc([C@@H](O)CNC(=O)/C=C/c3ccsc3)ccc21 ZINC000096362519 473376231 /nfs/dbraw/zinc/37/62/31/473376231.db2.gz JTFRREGEVMNQBG-RTZWDOBSSA-N 0 0 328.437 2.603 50 0 EFAARN CN1CCc2cc([C@H](O)CNC(=O)CSC3CCCC3)ccc21 ZINC000096362242 473376512 /nfs/dbraw/zinc/37/65/12/473376512.db2.gz BVVWTTUPPLHQBS-QGZVFWFLSA-N 0 0 334.485 2.504 50 0 EFAARN O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc(Cl)cc1 ZINC000096345567 473376931 /nfs/dbraw/zinc/37/69/31/473376931.db2.gz RDWJITIQXCQQLL-UHFFFAOYSA-N 0 0 331.803 2.804 50 0 EFAARN COc1cc(OC)cc(C(=O)NC[C@@H](OC)c2ccccc2OC)c1 ZINC000096384591 473377793 /nfs/dbraw/zinc/37/77/93/473377793.db2.gz KJIDMRPUZDDSJT-GOSISDBHSA-N 0 0 345.395 2.830 50 0 EFAARN Cn1c2cn(Cc3ccccc3)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000000033678 471317726 /nfs/dbraw/zinc/31/77/26/471317726.db2.gz CLADVIXGIMPLNR-UHFFFAOYSA-N 0 0 345.402 2.754 50 0 biogenic EFAARN Fc1ccccc1CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000000028981 471317921 /nfs/dbraw/zinc/31/79/21/471317921.db2.gz GHOXGHPAULYOQT-UHFFFAOYSA-N 0 0 330.344 2.822 50 0 EFAARN CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C ZINC000000044543 471318329 /nfs/dbraw/zinc/31/83/29/471318329.db2.gz NYYORGBPDGLJNJ-MRXNPFEDSA-N 0 0 332.400 2.912 50 0 EFAARN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCC(C)C ZINC000000044540 471318777 /nfs/dbraw/zinc/31/87/77/471318777.db2.gz SUNZLYYNGIOOJX-MRXNPFEDSA-N 0 0 332.400 2.912 50 0 EFAARN CC(=O)Oc1ccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)cc1 ZINC000000070156 471319281 /nfs/dbraw/zinc/31/92/81/471319281.db2.gz PNSNLVGCQBLTLA-UHFFFAOYSA-N 0 0 339.303 2.706 50 0 biogenic EFAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2ncnc2N1 ZINC000000065513 471319714 /nfs/dbraw/zinc/31/97/14/471319714.db2.gz DIYAPRKJTQHPFK-KRWDZBQOSA-N 0 0 347.378 2.911 50 0 EFAARN CC1=NN(C(=O)c2ccccc2N)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000000062652 471319940 /nfs/dbraw/zinc/31/99/40/471319940.db2.gz ZWSKAOFPSVEHAD-KRWDZBQOSA-N 0 0 329.787 2.989 50 0 EFAARN CC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1 ZINC000000063613 471319976 /nfs/dbraw/zinc/31/99/76/471319976.db2.gz KNOHJRRUNQQDRV-UHFFFAOYSA-N 0 0 326.400 2.847 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccccc1OC(C)C ZINC000000080891 471320339 /nfs/dbraw/zinc/32/03/39/471320339.db2.gz DLKQUSGUFCLFAU-HNNXBMFYSA-N 0 0 334.441 2.830 50 0 EFAARN O=C(NC1CCCCC1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000000082178 471320462 /nfs/dbraw/zinc/32/04/62/471320462.db2.gz IQDLUHHWZVYFJL-UHFFFAOYSA-N 0 0 336.480 2.689 50 0 EFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000000083578 471320692 /nfs/dbraw/zinc/32/06/92/471320692.db2.gz YCSIDFGIJYGHKF-CQSZACIVSA-N 0 0 328.393 2.744 50 0 EFAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000081253 471320767 /nfs/dbraw/zinc/32/07/67/471320767.db2.gz SCJOUGZFPLQGSV-UHFFFAOYSA-N 0 0 325.773 2.912 50 0 EFAARN O=C(NCc1ccc2c(c1)OCO2)c1cncc(Br)c1 ZINC000000092070 471321545 /nfs/dbraw/zinc/32/15/45/471321545.db2.gz LZFQTAUTOMXDNU-UHFFFAOYSA-N 0 0 335.157 2.503 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000000094439 471321879 /nfs/dbraw/zinc/32/18/79/471321879.db2.gz BCHHZEBPVXKQMW-UHFFFAOYSA-N 0 0 333.291 2.826 50 0 EFAARN Cc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C ZINC000000107078 471323857 /nfs/dbraw/zinc/32/38/57/471323857.db2.gz FUZIMXCJPBUMAJ-UHFFFAOYSA-N 0 0 334.445 2.963 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000000104788 471324012 /nfs/dbraw/zinc/32/40/12/471324012.db2.gz HSJZUAQHUTZXBA-UHFFFAOYSA-N 0 0 343.770 2.697 50 0 EFAARN CCc1ccccc1N1C(=O)C[C@H](Sc2nccc(C)n2)C1=O ZINC000000110890 471324086 /nfs/dbraw/zinc/32/40/86/471324086.db2.gz ZNUNNGXPMSUIJH-AWEZNQCLSA-N 0 0 327.409 2.772 50 0 EFAARN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000106913 471324324 /nfs/dbraw/zinc/32/43/24/471324324.db2.gz RUXUHNCBMKUZON-UHFFFAOYSA-N 0 0 337.422 2.981 50 0 EFAARN COc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3O)C2=O)cc1 ZINC000000107276 471324400 /nfs/dbraw/zinc/32/44/00/471324400.db2.gz CVAQXSUYELNHDC-UHFFFAOYSA-N 0 0 344.754 2.837 50 0 EFAARN CC1=NN(C(=O)C(C)C)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000108364 471324446 /nfs/dbraw/zinc/32/44/46/471324446.db2.gz RSMMIOMJVUYICO-AWEZNQCLSA-N 0 0 325.206 2.858 50 0 EFAARN CCc1nnc(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)s1 ZINC000000106944 471324671 /nfs/dbraw/zinc/32/46/71/471324671.db2.gz GMEXJRIFQKMJOE-SFHVURJKSA-N 0 0 337.404 2.954 50 0 EFAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1 ZINC000000116833 471325101 /nfs/dbraw/zinc/32/51/01/471325101.db2.gz GLQDIIIJGWGVIN-HNNXBMFYSA-N 0 0 344.436 2.708 50 0 EFAARN CC[C@@]1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1 ZINC000000119077 471325598 /nfs/dbraw/zinc/32/55/98/471325598.db2.gz OWTOJWOUGVGXMP-IBGZPJMESA-N 0 0 336.395 2.604 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000000125594 471326213 /nfs/dbraw/zinc/32/62/13/471326213.db2.gz YSZVLCYDHLQROL-UHFFFAOYSA-N 0 0 326.396 2.666 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)NC(=O)N1 ZINC000000124311 471326569 /nfs/dbraw/zinc/32/65/69/471326569.db2.gz NAOJNYMMDVGEOY-MRXNPFEDSA-N 0 0 348.399 2.675 50 0 EFAARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000133298 471326797 /nfs/dbraw/zinc/32/67/97/471326797.db2.gz WHGDDQGSQJYTFA-UHFFFAOYSA-N 0 0 328.755 2.883 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000000130667 471327006 /nfs/dbraw/zinc/32/70/06/471327006.db2.gz VMUBRBUKBWFUND-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN CN(C)C(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000000139914 471327880 /nfs/dbraw/zinc/32/78/80/471327880.db2.gz LAXXAHXWOITESI-UHFFFAOYSA-N 0 0 348.200 2.798 50 0 EFAARN COc1ccccc1N1C(=O)C(Cl)=C(Nc2ccccc2O)C1=O ZINC000000142118 471328070 /nfs/dbraw/zinc/32/80/70/471328070.db2.gz DRMMRTDOGMXNIJ-UHFFFAOYSA-N 0 0 344.754 2.837 50 0 EFAARN COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1OC ZINC000000153983 471328590 /nfs/dbraw/zinc/32/85/90/471328590.db2.gz ZALHKXLZDWOSAC-UHFFFAOYSA-N 0 0 342.395 2.793 50 0 EFAARN COCc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 ZINC000000148485 471328952 /nfs/dbraw/zinc/32/89/52/471328952.db2.gz ISKMGYHVEQMJJO-UHFFFAOYSA-N 0 0 335.429 3.000 50 0 EFAARN COc1ccc(-c2nnsc2NC(=O)c2ccccc2CO)cc1 ZINC000000158039 471329185 /nfs/dbraw/zinc/32/91/85/471329185.db2.gz OAIUWKNFRMVAQQ-UHFFFAOYSA-N 0 0 341.392 2.958 50 0 EFAARN Cc1cc(C)n(C[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000000151976 471329337 /nfs/dbraw/zinc/32/93/37/471329337.db2.gz GWSRRHXXFSAPKT-CYBMUJFWSA-N 0 0 325.206 2.702 50 0 EFAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cccc2nonc21 ZINC000000152648 471329381 /nfs/dbraw/zinc/32/93/81/471329381.db2.gz QXWYVYXPSCMLBN-CYBMUJFWSA-N 0 0 329.381 2.579 50 0 EFAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000000148050 471329521 /nfs/dbraw/zinc/32/95/21/471329521.db2.gz RLSANEGOJWDEMM-UHFFFAOYSA-N 0 0 343.408 2.722 50 0 EFAARN Nn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccccc1 ZINC000000151012 471329533 /nfs/dbraw/zinc/32/95/33/471329533.db2.gz IZLOTTPLYHKJMX-UHFFFAOYSA-N 0 0 332.429 2.627 50 0 EFAARN 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CCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 ZINC000000355989 471350451 /nfs/dbraw/zinc/35/04/51/471350451.db2.gz OOMIKGNRTURUCF-UHFFFAOYSA-N 0 0 333.413 2.804 50 0 EFAARN O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000352029 471350495 /nfs/dbraw/zinc/35/04/95/471350495.db2.gz UTWMKORAHCIUKS-UHFFFAOYSA-N 0 0 330.409 2.723 50 0 EFAARN O=C(COc1ccc2ccccc2c1)NN1C(=O)c2ccccc2C1=O ZINC000000357394 471350520 /nfs/dbraw/zinc/35/05/20/471350520.db2.gz XPCAUNREDMOYRQ-UHFFFAOYSA-N 0 0 346.342 2.546 50 0 EFAARN CCN(CC)C(=S)NC(=O)c1ccc(OC)c(Br)c1 ZINC000000358896 471350705 /nfs/dbraw/zinc/35/07/05/471350705.db2.gz QISGTGBRDTXSLE-UHFFFAOYSA-N 0 0 345.262 2.814 50 0 EFAARN CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 ZINC000000367247 471351476 /nfs/dbraw/zinc/35/14/76/471351476.db2.gz RUCMJPNYNYXEKD-GFCCVEGCSA-N 0 0 344.440 2.791 50 0 EFAARN NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000000369134 471351710 /nfs/dbraw/zinc/35/17/10/471351710.db2.gz FWZFNJLGWUILGA-UHFFFAOYSA-N 0 0 328.372 2.651 50 0 EFAARN Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)N1CCCCC1 ZINC000000381884 471352466 /nfs/dbraw/zinc/35/24/66/471352466.db2.gz DUEJSRHOKPORQZ-UHFFFAOYSA-N 0 0 336.457 2.605 50 0 EFAARN CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000000379823 471352502 /nfs/dbraw/zinc/35/25/02/471352502.db2.gz IDZALYUCOGJRJL-UHFFFAOYSA-N 0 0 344.864 2.555 50 0 EFAARN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000379735 471352716 /nfs/dbraw/zinc/35/27/16/471352716.db2.gz PUDCCQPAMMEEJN-UHFFFAOYSA-N 0 0 337.372 2.502 50 0 EFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)cc1 ZINC000000378759 471352878 /nfs/dbraw/zinc/35/28/78/471352878.db2.gz WWAWGNQOMXFTNL-AWEZNQCLSA-N 0 0 336.438 2.867 50 0 EFAARN COc1cccc2c(C)nc(Nc3nc(=O)c4ccccc4n3C)nc12 ZINC000000377102 471352905 /nfs/dbraw/zinc/35/29/05/471352905.db2.gz BSWTWSLMXBWEQY-UHFFFAOYSA-N 0 0 347.378 2.937 50 0 biogenic EFAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000000378765 471353135 /nfs/dbraw/zinc/35/31/35/471353135.db2.gz 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/nfs/dbraw/zinc/35/40/91/471354091.db2.gz VKQPMLWJZMNBKH-UHFFFAOYSA-N 0 0 336.442 2.926 50 0 EFAARN O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000000385602 471354096 /nfs/dbraw/zinc/35/40/96/471354096.db2.gz GLEZOJKQRIHDTN-MRXNPFEDSA-N 0 0 348.402 2.689 50 0 EFAARN NC(=O)c1ccc(-n2nnnc2Oc2ccc3ccccc3c2)cc1 ZINC000000386401 471354098 /nfs/dbraw/zinc/35/40/98/471354098.db2.gz AXCBVNWJGFSFLZ-UHFFFAOYSA-N 0 0 331.335 2.707 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000000382747 471354131 /nfs/dbraw/zinc/35/41/31/471354131.db2.gz PLGCVJUJUUCYQH-UHFFFAOYSA-N 0 0 343.408 2.866 50 0 EFAARN C[N@@H+]1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390424 471354144 /nfs/dbraw/zinc/35/41/44/471354144.db2.gz ZBEILXWHVSVDBN-GOSISDBHSA-N 0 0 325.408 2.560 50 0 EFAARN COc1ccccc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O ZINC000000390752 471354454 /nfs/dbraw/zinc/35/44/54/471354454.db2.gz KBFFTOLKWWRKBR-UHFFFAOYSA-N 0 0 343.770 2.697 50 0 EFAARN CCOC(=O)CCc1c(C(=O)OCC)[nH]c(C)c1C1OC(C)(C)O1 ZINC000000391559 471354463 /nfs/dbraw/zinc/35/44/63/471354463.db2.gz XIRIFDVSMPSWTN-UHFFFAOYSA-N 0 0 339.388 2.777 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O ZINC000000411130 471354528 /nfs/dbraw/zinc/35/45/28/471354528.db2.gz KPELHUIWVYZRKU-UHFFFAOYSA-N 0 0 325.393 2.664 50 0 EFAARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NC(C)=O ZINC000000400428 471354884 /nfs/dbraw/zinc/35/48/84/471354884.db2.gz PPNOUWPKULDUKV-UHFFFAOYSA-N 0 0 327.340 2.616 50 0 EFAARN Cc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000000392214 471354940 /nfs/dbraw/zinc/35/49/40/471354940.db2.gz SNQWHFJKXJIIBU-UHFFFAOYSA-N 0 0 331.397 2.595 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 ZINC000000401318 471354989 /nfs/dbraw/zinc/35/49/89/471354989.db2.gz ONRIKZMFHVWRLM-UHFFFAOYSA-N 0 0 337.426 2.754 50 0 EFAARN COC(=O)c1csnc1CCc1cc(OC)c(OC)c(OC)c1 ZINC000000402341 471354996 /nfs/dbraw/zinc/35/49/96/471354996.db2.gz YDTATVGUCFTYOQ-UHFFFAOYSA-N 0 0 337.397 2.741 50 0 EFAARN CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 ZINC000000395046 471355028 /nfs/dbraw/zinc/35/50/28/471355028.db2.gz GQOCBJNKHZJUGH-UHFFFAOYSA-N 0 0 349.412 2.514 50 0 EFAARN CCNC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NCC)c1 ZINC000000405871 471355175 /nfs/dbraw/zinc/35/51/75/471355175.db2.gz TUJQCTQUQKJSCQ-UHFFFAOYSA-N 0 0 334.464 2.795 50 0 EFAARN Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1C ZINC000000416702 471355882 /nfs/dbraw/zinc/35/58/82/471355882.db2.gz VPXRTKHKGIVQAP-UHFFFAOYSA-N 0 0 339.424 2.524 50 0 EFAARN O=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1 ZINC000000421325 471357037 /nfs/dbraw/zinc/35/70/37/471357037.db2.gz VLPFJFRLLBMCQY-UHFFFAOYSA-N 0 0 333.413 2.753 50 0 EFAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1 ZINC000000422565 471357491 /nfs/dbraw/zinc/35/74/91/471357491.db2.gz ULNGUJYJJZGUPE-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN COc1ccc(CCn2c(=O)c3cccnc3[nH]c2=S)cc1OC ZINC000000424537 471357845 /nfs/dbraw/zinc/35/78/45/471357845.db2.gz MDLFDUPZBQADHQ-UHFFFAOYSA-N 0 0 343.408 2.714 50 0 EFAARN CC[NH+](CC)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000000425081 471358303 /nfs/dbraw/zinc/35/83/03/471358303.db2.gz LLHJKQGRPATCQX-UHFFFAOYSA-N 0 0 335.429 2.520 50 0 EFAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cccnc4)sc3nc12 ZINC000000426909 471358803 /nfs/dbraw/zinc/35/88/03/471358803.db2.gz XLRYTGAMXLOVAR-UHFFFAOYSA-N 0 0 336.376 2.865 50 0 EFAARN CCOc1ccc(-c2nnc(SCC(=O)N3CCCC3)o2)cc1 ZINC000000428214 471359248 /nfs/dbraw/zinc/35/92/48/471359248.db2.gz DISYESOLWWUABX-UHFFFAOYSA-N 0 0 333.413 2.850 50 0 EFAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)o1 ZINC000000428209 471359350 /nfs/dbraw/zinc/35/93/50/471359350.db2.gz YFMMDKHCCOIICO-UHFFFAOYSA-N 0 0 348.409 2.933 50 0 EFAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1C ZINC000000433011 471359708 /nfs/dbraw/zinc/35/97/08/471359708.db2.gz DVKMGXCOXZYVHG-UHFFFAOYSA-N 0 0 338.407 2.995 50 0 EFAARN [O-][n+]1onc2c1ccc1c2c2c(n1OCc1ccccc1)CCCC2 ZINC000000439839 471360138 /nfs/dbraw/zinc/36/01/38/471360138.db2.gz URGYLXDTXNJNAR-UHFFFAOYSA-N 0 0 335.363 2.924 50 0 EFAARN COc1cccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)c1OC ZINC000000432752 471360207 /nfs/dbraw/zinc/36/02/07/471360207.db2.gz XGTVXJXYSLSUEW-OAHLLOKOSA-N 0 0 348.399 2.626 50 0 EFAARN O=C(NC(=S)Nc1cccnc1)c1ccc(Br)cc1 ZINC000000450938 471361235 /nfs/dbraw/zinc/36/12/35/471361235.db2.gz AMGNUAGXUOTOMJ-UHFFFAOYSA-N 0 0 336.214 2.971 50 0 EFAARN COC(=O)c1cc(NC(=O)c2cccc(F)c2)cc(C(=O)OC)c1 ZINC000000443681 471361361 /nfs/dbraw/zinc/36/13/61/471361361.db2.gz BLCQUUOCKZMHSV-UHFFFAOYSA-N 0 0 331.299 2.651 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000454717 471361908 /nfs/dbraw/zinc/36/19/08/471361908.db2.gz GUAWWNGDYYYEBW-UHFFFAOYSA-N 0 0 346.452 2.871 50 0 EFAARN CCOC(=O)C1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000000455227 471362534 /nfs/dbraw/zinc/36/25/34/471362534.db2.gz RKZOCMJHAQTDET-UHFFFAOYSA-N 0 0 325.792 2.521 50 0 EFAARN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC ZINC000000461960 471363021 /nfs/dbraw/zinc/36/30/21/471363021.db2.gz XKEXGUCFPFXBFE-ZDUSSCGKSA-N 0 0 347.386 2.969 50 0 EFAARN CNC1=NC(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000000460636 471363398 /nfs/dbraw/zinc/36/33/98/471363398.db2.gz BXDNVKUWFCIDBW-SECBINFHSA-N 0 0 332.212 2.539 50 0 EFAARN C[C@H](C(=O)Oc1cccc2cccnc21)N1C(=O)c2ccccc2C1=O ZINC000000467539 471363447 /nfs/dbraw/zinc/36/34/47/471363447.db2.gz UMBZKKFQNYSLGG-GFCCVEGCSA-N 0 0 346.342 2.825 50 0 EFAARN COc1ccc(OC[C@H](O)CN(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000000464832 471363463 /nfs/dbraw/zinc/36/34/63/471363463.db2.gz UUIQSDVOGRXAIE-OAHLLOKOSA-N 0 0 349.814 2.861 50 0 EFAARN CC[C@H](Sc1nncn1C)C(=O)Nc1nc2ccccc2s1 ZINC000000465475 471363552 /nfs/dbraw/zinc/36/35/52/471363552.db2.gz LIQQBKXYYBVHJD-JTQLQIEISA-N 0 0 333.442 2.934 50 0 EFAARN CC(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 ZINC000000468317 471363589 /nfs/dbraw/zinc/36/35/89/471363589.db2.gz MNEALXXWXWIJOV-UHFFFAOYSA-N 0 0 332.425 2.727 50 0 EFAARN CCOC(=O)c1cc2cc(Br)cc(OC)c2oc1=O ZINC000000468576 471363669 /nfs/dbraw/zinc/36/36/69/471363669.db2.gz HQMSLXAQGJTKRR-UHFFFAOYSA-N 0 0 327.130 2.741 50 0 EFAARN CN(c1cccc(NC(=O)c2ccccc2Cl)c1)S(C)(=O)=O ZINC000000469913 471364044 /nfs/dbraw/zinc/36/40/44/471364044.db2.gz CYSYJPLFVFXOQN-UHFFFAOYSA-N 0 0 338.816 2.988 50 0 EFAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 ZINC000000478314 471364396 /nfs/dbraw/zinc/36/43/96/471364396.db2.gz HGRYQVIUMRKDMU-UHFFFAOYSA-N 0 0 337.210 2.746 50 0 EFAARN COC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000000471900 471364605 /nfs/dbraw/zinc/36/46/05/471364605.db2.gz SCZASIZDMLGERT-UHFFFAOYSA-N 0 0 338.315 2.937 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(F)c1 ZINC000000477238 471364645 /nfs/dbraw/zinc/36/46/45/471364645.db2.gz CRRZQKZXGFLBSM-AWEZNQCLSA-N 0 0 334.372 2.649 50 0 EFAARN Cc1cc(=O)oc2cc(NC(=O)c3c(C)cc(=O)oc3C)ccc12 ZINC000000486221 471364845 /nfs/dbraw/zinc/36/48/45/471364845.db2.gz GBRDSZZUPVUIIQ-UHFFFAOYSA-N 0 0 325.320 2.924 50 0 biogenic EFAARN COC(=O)c1cccc(COC(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000000482506 471364961 /nfs/dbraw/zinc/36/49/61/471364961.db2.gz PNJGICRVMQOOJA-UHFFFAOYSA-N 0 0 327.336 2.789 50 0 EFAARN CCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000000479285 471365403 /nfs/dbraw/zinc/36/54/03/471365403.db2.gz HKGVTHVKLPBMDG-UHFFFAOYSA-N 0 0 349.408 2.602 50 0 EFAARN COc1cc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2cc1OC ZINC000000487784 471365452 /nfs/dbraw/zinc/36/54/52/471365452.db2.gz HEGQPYXNFNIVDJ-UHFFFAOYSA-N 0 0 325.324 2.536 50 0 biogenic EFAARN Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccn1 ZINC000000525544 471367322 /nfs/dbraw/zinc/36/73/22/471367322.db2.gz WVOAXXMZILAYOI-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN CCSc1nc2ccc(I)cc2c(=O)n1C ZINC000000520304 471368157 /nfs/dbraw/zinc/36/81/57/471368157.db2.gz UMFOAQILZOPLMV-UHFFFAOYSA-N 0 0 346.193 2.650 50 0 EFAARN Cn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCC3 ZINC000000528299 471368327 /nfs/dbraw/zinc/36/83/27/471368327.db2.gz FPVKESARBPUGSS-UHFFFAOYSA-N 0 0 332.812 2.893 50 0 EFAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccn1 ZINC000000529143 471368415 /nfs/dbraw/zinc/36/84/15/471368415.db2.gz DUFWIQBSOVLSNP-UHFFFAOYSA-N 0 0 340.832 2.921 50 0 EFAARN COC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(F)cc1 ZINC000000529092 471368587 /nfs/dbraw/zinc/36/85/87/471368587.db2.gz GKSIPEUZXCXJEO-MRXNPFEDSA-N 0 0 342.395 2.929 50 0 EFAARN Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cnccn1 ZINC000000531227 471368602 /nfs/dbraw/zinc/36/86/02/471368602.db2.gz ZTNBWIXQWFRAII-UHFFFAOYSA-N 0 0 345.815 2.901 50 0 EFAARN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000000528421 471368700 /nfs/dbraw/zinc/36/87/00/471368700.db2.gz JOSWGNSWLIGJOY-UHFFFAOYSA-N 0 0 348.424 2.634 50 0 EFAARN O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccnc1 ZINC000000534431 471369498 /nfs/dbraw/zinc/36/94/98/471369498.db2.gz WQSCNQPHEUGDBK-OAHLLOKOSA-N 0 0 337.162 2.801 50 0 EFAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc43)C2=O)cc1 ZINC000000540058 471369940 /nfs/dbraw/zinc/36/99/40/471369940.db2.gz VZDACVSJIDYFIK-GOSISDBHSA-N 0 0 336.391 2.780 50 0 EFAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccncc1 ZINC000000536837 471369976 /nfs/dbraw/zinc/36/99/76/471369976.db2.gz MZTVUVXXOSTNDW-HNNXBMFYSA-N 0 0 337.162 2.801 50 0 EFAARN COc1ccc(Nc2nc(N)nc(CN3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000000542772 471370053 /nfs/dbraw/zinc/37/00/53/471370053.db2.gz BHCSIGFKSFINLQ-CHWSQXEVSA-N 0 0 342.447 2.684 50 0 EFAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccccn1 ZINC000000542574 471370088 /nfs/dbraw/zinc/37/00/88/471370088.db2.gz ABRQBNCUHYIZSK-HNNXBMFYSA-N 0 0 337.162 2.801 50 0 EFAARN Cc1nc(NC(=O)c2ccco2)ccc1I ZINC000000558447 471370280 /nfs/dbraw/zinc/37/02/80/471370280.db2.gz PIYIMGSSMRXUCK-UHFFFAOYSA-N 0 0 328.109 2.840 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000556213 471370399 /nfs/dbraw/zinc/37/03/99/471370399.db2.gz OBONRCGPYVVCJM-UHFFFAOYSA-N 0 0 338.816 2.843 50 0 EFAARN COC(=O)c1cc(Br)c(=O)n(-c2ccccc2F)c1 ZINC000000551217 471370413 /nfs/dbraw/zinc/37/04/13/471370413.db2.gz VJFNQQBFMKUMOD-UHFFFAOYSA-N 0 0 326.121 2.526 50 0 EFAARN COc1cc(NC(=S)NC(=O)C(C)C)ccc1NC(=O)C(C)C ZINC000000556337 471370512 /nfs/dbraw/zinc/37/05/12/471370512.db2.gz LQOBYWJIOPHSEU-UHFFFAOYSA-N 0 0 337.445 2.759 50 0 EFAARN CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000000569655 471371219 /nfs/dbraw/zinc/37/12/19/471371219.db2.gz OPKRVTZHUCCCBD-UHFFFAOYSA-N 0 0 337.423 2.916 50 0 EFAARN COc1c(C)cccc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000000568696 471371377 /nfs/dbraw/zinc/37/13/77/471371377.db2.gz JBACMJRUYIRUTG-UHFFFAOYSA-N 0 0 330.409 2.905 50 0 EFAARN Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000000568716 471371576 /nfs/dbraw/zinc/37/15/76/471371576.db2.gz WKDGHPWPCGDIGD-UHFFFAOYSA-N 0 0 344.436 2.970 50 0 EFAARN COC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1C ZINC000000609085 471372236 /nfs/dbraw/zinc/37/22/36/471372236.db2.gz UJBJXCWSTKBPEP-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000582912 471372551 /nfs/dbraw/zinc/37/25/51/471372551.db2.gz GRDFXBKXTARXHN-KRWDZBQOSA-N 0 0 330.409 2.804 50 0 EFAARN CCN(CC)C(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O ZINC000000582571 471372779 /nfs/dbraw/zinc/37/27/79/471372779.db2.gz FYMJYWRRUSQSBY-GFCCVEGCSA-N 0 0 332.425 2.605 50 0 EFAARN CCOc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1OC ZINC000000615922 471373281 /nfs/dbraw/zinc/37/32/81/471373281.db2.gz FQFMNFWLOQMGOR-AWEZNQCLSA-N 0 0 343.379 2.664 50 0 EFAARN COc1ccc(N2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1 ZINC000000615531 471373373 /nfs/dbraw/zinc/37/33/73/471373373.db2.gz PHFVWAOCZNWECS-SLTAFYQDSA-N 0 0 330.428 2.743 50 0 EFAARN CC(=O)c1cc2c(cc1NC(=O)CSc1ccccn1)OCO2 ZINC000000616395 471374304 /nfs/dbraw/zinc/37/43/04/471374304.db2.gz ZRCOQVRCPTXGOE-UHFFFAOYSA-N 0 0 330.365 2.744 50 0 EFAARN COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCc1cccnc1 ZINC000000619408 471374793 /nfs/dbraw/zinc/37/47/93/471374793.db2.gz BKAFKBBTBAYYQE-UHFFFAOYSA-N 0 0 340.832 2.839 50 0 EFAARN Cc1ccc(S(=O)(=O)CCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000000732288 471374839 /nfs/dbraw/zinc/37/48/39/471374839.db2.gz 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CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCCC1 ZINC000001096112 471381684 /nfs/dbraw/zinc/38/16/84/471381684.db2.gz ILCRLQNXNCTRDI-SFHVURJKSA-N 0 0 327.428 2.618 50 0 EFAARN CSc1nsc(SCCN2C(=O)c3ccccc3C2=O)n1 ZINC000001071023 471381792 /nfs/dbraw/zinc/38/17/92/471381792.db2.gz MRKPAHFVJUKDEW-UHFFFAOYSA-N 0 0 337.451 2.648 50 0 EFAARN COC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc32)C1=O ZINC000001147397 471381939 /nfs/dbraw/zinc/38/19/39/471381939.db2.gz NJLBKBIISZCVIH-NTUHNPAUSA-N 0 0 330.365 2.686 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(F)cc1 ZINC000001207390 471382416 /nfs/dbraw/zinc/38/24/16/471382416.db2.gz HKVJUNYZHAHHLW-AWEZNQCLSA-N 0 0 334.372 2.649 50 0 EFAARN O=C(CSc1nnc(COc2ccccc2)o1)Nc1nccs1 ZINC000001105598 471382856 /nfs/dbraw/zinc/38/28/56/471382856.db2.gz AQUBMHAFHOZWLP-UHFFFAOYSA-N 0 0 348.409 2.836 50 0 EFAARN Cc1ccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000001217747 471383933 /nfs/dbraw/zinc/38/39/33/471383933.db2.gz NDIMAJGFWRYLHU-GFCCVEGCSA-N 0 0 333.331 2.509 50 0 EFAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)c1 ZINC000001381618 471387611 /nfs/dbraw/zinc/38/76/11/471387611.db2.gz XSWFDJQGTVANBZ-UHFFFAOYSA-N 0 0 348.453 2.926 50 0 EFAARN Cn1c(C(N)=O)cnc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000001396860 471388220 /nfs/dbraw/zinc/38/82/20/471388220.db2.gz RXRAAIWYZNIJRI-UHFFFAOYSA-N 0 0 336.726 2.737 50 0 EFAARN COc1cccc(C(=O)O[C@@H]2CCS(=O)(=O)c3sccc32)c1 ZINC000001393987 471388340 /nfs/dbraw/zinc/38/83/40/471388340.db2.gz QJXHINASYYPVJQ-CYBMUJFWSA-N 0 0 338.406 2.832 50 0 EFAARN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000001393202 471388530 /nfs/dbraw/zinc/38/85/30/471388530.db2.gz KFKDKDBUQRVQTP-AWEZNQCLSA-N 0 0 339.800 2.533 50 0 EFAARN O=C(O[C@H]1CCS(=O)(=O)c2sccc21)c1ccc(Cl)nc1 ZINC000001393994 471388670 /nfs/dbraw/zinc/38/86/70/471388670.db2.gz CJEHMINDRCRATP-JTQLQIEISA-N 0 0 343.813 2.872 50 0 EFAARN CC(C)Nc1cnn(-c2ccc(F)cc2)c(=O)c1Br ZINC000001392450 471388770 /nfs/dbraw/zinc/38/87/70/471388770.db2.gz 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CCO/C=C1\c2ccccc2C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000002225858 471404380 /nfs/dbraw/zinc/40/43/80/471404380.db2.gz NKXTYHLWGSVBLG-XNTDXEJSSA-N 0 0 337.331 2.980 50 0 EFAARN CCOC(=O)N[C@](Nc1cccc(C)c1)(C(=O)OCC)C(F)(F)F ZINC000002272340 471404390 /nfs/dbraw/zinc/40/43/90/471404390.db2.gz LGYCBUTZILGESD-CQSZACIVSA-N 0 0 348.321 2.975 50 0 EFAARN CC(C)(C)OC(=O)NCCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002250680 471404488 /nfs/dbraw/zinc/40/44/88/471404488.db2.gz UBJUTGHXCSZJEN-UHFFFAOYSA-N 0 0 333.340 2.613 50 0 biogenic EFAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002294772 471405372 /nfs/dbraw/zinc/40/53/72/471405372.db2.gz FZUOSNNASUJLMW-SNVBAGLBSA-N 0 0 333.340 2.612 50 0 biogenic EFAARN CC[C@H](C)NC(=O)c1nc2c3c4c(sc3ncn2n1)CC[C@H](C)C4 ZINC000002338926 471405526 /nfs/dbraw/zinc/40/55/26/471405526.db2.gz ADHMFWRNVXAZIE-UWVGGRQHSA-N 0 0 343.456 2.992 50 0 EFAARN CCOC(=O)CNC(=O)[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000002320106 471405720 /nfs/dbraw/zinc/40/57/20/471405720.db2.gz 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/nfs/dbraw/zinc/40/80/07/471408007.db2.gz REOVOWLKHULXNC-AWEZNQCLSA-N 0 0 340.489 2.638 50 0 EFAARN COC(=O)[C@H](C)NC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000002425595 471408243 /nfs/dbraw/zinc/40/82/43/471408243.db2.gz JENXRPSOYQJVSD-AWEZNQCLSA-N 0 0 326.396 2.679 50 0 EFAARN NC(=O)c1cc(Cl)cn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000002508454 471409470 /nfs/dbraw/zinc/40/94/70/471409470.db2.gz QHDMVDSFYNGRRL-UHFFFAOYSA-N 0 0 330.693 2.668 50 0 EFAARN O=C(N1CCN(c2ncccn2)CC1)C1(c2ccccc2)CCCC1 ZINC000002512586 471410255 /nfs/dbraw/zinc/41/02/55/471410255.db2.gz NCXOOQVWACFELL-UHFFFAOYSA-N 0 0 336.439 2.637 50 0 EFAARN O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1 ZINC000002504001 471410390 /nfs/dbraw/zinc/41/03/90/471410390.db2.gz WPSWMLZBXDOMJU-OAHLLOKOSA-N 0 0 335.285 2.591 50 0 EFAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000002615825 471412935 /nfs/dbraw/zinc/41/29/35/471412935.db2.gz YYQHFHDOFBXRAH-UHFFFAOYSA-N 0 0 341.392 2.663 50 0 EFAARN CCN(CC)C(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl ZINC000002682764 471416591 /nfs/dbraw/zinc/41/65/91/471416591.db2.gz BYSDIVWPLCNQBN-VIFPVBQESA-N 0 0 348.727 2.671 50 0 EFAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)o2)no1 ZINC000002720323 471417345 /nfs/dbraw/zinc/41/73/45/471417345.db2.gz BLPOLICHJPYTJO-UHFFFAOYSA-N 0 0 334.332 2.903 50 0 EFAARN CC(=O)c1ccccc1OCC(O)COc1ccccc1C(C)=O ZINC000002701415 471417547 /nfs/dbraw/zinc/41/75/47/471417547.db2.gz VVLSACONYHRJOL-UHFFFAOYSA-N 0 0 328.364 2.911 50 0 EFAARN O=C(CCSc1nnnn1-c1ccccc1)Nc1ccccc1 ZINC000002727148 471418899 /nfs/dbraw/zinc/41/88/99/471418899.db2.gz RIWYDGVWQRAOHG-UHFFFAOYSA-N 0 0 325.397 2.783 50 0 EFAARN Cc1occc1C(=O)N1C[C@H](C)N(C(=O)c2ccoc2C)C[C@@H]1C ZINC000002748921 471419410 /nfs/dbraw/zinc/41/94/10/471419410.db2.gz XWGLBNFJBKAOLT-RYUDHWBXSA-N 0 0 330.384 2.865 50 0 EFAARN CCOC(=O)c1cnn2c1nc(-c1cnn(C)c1C)cc2C(F)F ZINC000002777991 471420270 /nfs/dbraw/zinc/42/02/70/471420270.db2.gz JVDPSTIEOZQTEZ-UHFFFAOYSA-N 0 0 335.314 2.553 50 0 EFAARN CCCOC(=O)c1c2c(sc1NC(=O)c1cnccn1)CCC2 ZINC000002764220 471420568 /nfs/dbraw/zinc/42/05/68/471420568.db2.gz GRWFXUNZRQFWOO-UHFFFAOYSA-N 0 0 331.397 2.846 50 0 EFAARN COc1ccccc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C ZINC000002775657 471420795 /nfs/dbraw/zinc/42/07/95/471420795.db2.gz PIWAGLASPWIFOE-UHFFFAOYSA-N 0 0 338.820 2.517 50 0 EFAARN Cc1csc(NC(=O)[C@@H](C)Cn2cc(Br)cn2)n1 ZINC000002791701 471420961 /nfs/dbraw/zinc/42/09/61/471420961.db2.gz RDINGAJTWNGDQK-ZETCQYMHSA-N 0 0 329.223 2.685 50 0 EFAARN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000002780943 471421011 /nfs/dbraw/zinc/42/10/11/471421011.db2.gz QHLWXJHWFQNQIX-SNVBAGLBSA-N 0 0 329.326 2.760 50 0 EFAARN Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000002780697 471421203 /nfs/dbraw/zinc/42/12/03/471421203.db2.gz USCOIPGRIQJAHU-DTWKUNHWSA-N 0 0 339.745 2.720 50 0 EFAARN Cc1nn([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl ZINC000002781662 471421304 /nfs/dbraw/zinc/42/13/04/471421304.db2.gz YRNUPJNQCMXOQU-YFKPBYRVSA-N 0 0 339.730 2.915 50 0 EFAARN CC(C)NC(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000002787703 471421333 /nfs/dbraw/zinc/42/13/33/471421333.db2.gz USAWVBLXZDBOAW-UHFFFAOYSA-N 0 0 338.205 2.820 50 0 EFAARN Cc1cc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)no1 ZINC000002791083 471421395 /nfs/dbraw/zinc/42/13/95/471421395.db2.gz PCLCYQIIEAGLGI-SSDOTTSWSA-N 0 0 341.209 2.834 50 0 EFAARN O=C(NC1C2CC3CC(C2)CC1C3)c1nn2cccnc2c1Cl ZINC000002790020 471421495 /nfs/dbraw/zinc/42/14/95/471421495.db2.gz XOIHCHYGHCENTM-UHFFFAOYSA-N 0 0 330.819 2.937 50 0 EFAARN Cn1ccc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)n1 ZINC000002798875 471422325 /nfs/dbraw/zinc/42/23/25/471422325.db2.gz BLEYVWLDGHIWDY-UHFFFAOYSA-N 0 0 331.763 2.559 50 0 EFAARN CCn1cc(CNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cn1 ZINC000002804064 471422831 /nfs/dbraw/zinc/42/28/31/471422831.db2.gz ZHEGECCGZMORFJ-ZDUSSCGKSA-N 0 0 330.432 2.972 50 0 EFAARN OCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCCC2)n1 ZINC000002846921 471424681 /nfs/dbraw/zinc/42/46/81/471424681.db2.gz WBLINVYCCGOQID-UHFFFAOYSA-N 0 0 348.838 2.663 50 0 EFAARN CCCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000002857389 471425305 /nfs/dbraw/zinc/42/53/05/471425305.db2.gz BJGAXCWQDFZRGU-KRWDZBQOSA-N 0 0 340.379 2.605 50 0 EFAARN CCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1 ZINC000002865910 471425363 /nfs/dbraw/zinc/42/53/63/471425363.db2.gz COQIDSXBZNJQQZ-UHFFFAOYSA-N 0 0 331.420 2.923 50 0 EFAARN COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000002864700 471425671 /nfs/dbraw/zinc/42/56/71/471425671.db2.gz ROYAFSHKAGGLFN-UHFFFAOYSA-N 0 0 332.787 2.912 50 0 EFAARN COc1ccc(OC)c(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 ZINC000002885213 471426039 /nfs/dbraw/zinc/42/60/39/471426039.db2.gz UFSCZZKBMVUKLB-ZWKOTPCHSA-N 0 0 333.384 2.764 50 0 EFAARN O=C(Nc1nccs1)C1CCC(C(=O)Nc2nccs2)CC1 ZINC000002884234 471426214 /nfs/dbraw/zinc/42/62/14/471426214.db2.gz MGBXTJLSPBQZPB-UHFFFAOYSA-N 0 0 336.442 2.983 50 0 EFAARN CSc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000002879069 471426828 /nfs/dbraw/zinc/42/68/28/471426828.db2.gz JJAWBAYVVFTTSZ-UHFFFAOYSA-N 0 0 337.422 2.616 50 0 EFAARN O=C1C[C@H](Cc2ccccc2)C(=O)N1CCc1ccc2c(c1)OCO2 ZINC000002919121 471427325 /nfs/dbraw/zinc/42/73/25/471427325.db2.gz KAOIHYOGDUAANK-INIZCTEOSA-N 0 0 337.375 2.576 50 0 biogenic EFAARN CCOC(=O)N(CC)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000002900747 471427519 /nfs/dbraw/zinc/42/75/19/471427519.db2.gz BRDLCWHSHREIJW-AWEZNQCLSA-N 0 0 349.305 2.592 50 0 EFAARN Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000002900197 471427806 /nfs/dbraw/zinc/42/78/06/471427806.db2.gz SUXPXZPCSKRBLY-UHFFFAOYSA-N 0 0 346.452 2.715 50 0 EFAARN Cc1cc2c(cc1C)N[C@H](CC(=O)NCCc1ccccc1)C(=O)N2 ZINC000002890076 471427979 /nfs/dbraw/zinc/42/79/79/471427979.db2.gz VUDNGTUIZSPZDB-GOSISDBHSA-N 0 0 337.423 2.785 50 0 EFAARN Cc1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)n2C)cc1 ZINC000002917101 471428031 /nfs/dbraw/zinc/42/80/31/471428031.db2.gz OJVXINBIVSVXDE-UHFFFAOYSA-N 0 0 332.363 2.747 50 0 EFAARN COc1ccc(N2C(=O)C[C@@H](Cc3ccccc3OC)C2=O)cc1 ZINC000002933024 471429046 /nfs/dbraw/zinc/42/90/46/471429046.db2.gz UMKNJUNJGCPOCZ-CQSZACIVSA-N 0 0 325.364 2.826 50 0 EFAARN COc1ccccc1OCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000002943658 471429357 /nfs/dbraw/zinc/42/93/57/471429357.db2.gz AUEGREVKUHJDIG-UHFFFAOYSA-N 0 0 331.368 2.521 50 0 EFAARN COC(=O)c1ccc(OCCOc2ccc(C=O)cc2OC)cc1 ZINC000002984247 471430181 /nfs/dbraw/zinc/43/01/81/471430181.db2.gz CAXFBVMUYQWLFO-UHFFFAOYSA-N 0 0 330.336 2.752 50 0 EFAARN CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000003071260 471432103 /nfs/dbraw/zinc/43/21/03/471432103.db2.gz YGENAYHMYZWMEL-CQSZACIVSA-N 0 0 328.412 2.854 50 0 EFAARN COc1ccc(NC(=O)NCCOC(=O)N(O)c2ccccc2)cc1 ZINC000003107241 471433746 /nfs/dbraw/zinc/43/37/46/471433746.db2.gz DMXOSEAUPJCQLL-UHFFFAOYSA-N 0 0 345.355 2.849 50 0 EFAARN Cc1ccccc1NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl ZINC000003137412 471433756 /nfs/dbraw/zinc/43/37/56/471433756.db2.gz RQMSZGNXTUVXAJ-SECBINFHSA-N 0 0 340.663 2.724 50 0 EFAARN CCOc1ccc([C@H]2NC(=O)Cc3cc(OC)c(OC)cc32)cc1 ZINC000003181602 471434388 /nfs/dbraw/zinc/43/43/88/471434388.db2.gz HZEYBSGFWWSGDM-LJQANCHMSA-N 0 0 327.380 2.864 50 0 EFAARN CCOC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2)n1 ZINC000003211073 471436214 /nfs/dbraw/zinc/43/62/14/471436214.db2.gz OZTHVAYFESMFRO-UHFFFAOYSA-N 0 0 340.788 2.991 50 0 EFAARN CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC ZINC000003234777 471437801 /nfs/dbraw/zinc/43/78/01/471437801.db2.gz FNVAUFXJWDEMQS-UHFFFAOYSA-N 0 0 347.367 2.550 50 0 EFAARN COc1ccc(OC)c(NC(=O)COC(=O)c2sccc2C)c1 ZINC000003234847 471437809 /nfs/dbraw/zinc/43/78/09/471437809.db2.gz UTMZUEBZIFBLLV-UHFFFAOYSA-N 0 0 335.381 2.869 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1F ZINC000003259056 471438305 /nfs/dbraw/zinc/43/83/05/471438305.db2.gz GYBKLVMYZPCLSS-UHFFFAOYSA-N 0 0 348.399 2.863 50 0 EFAARN COc1cc(OC)cc(C(=O)OCC(=O)N(C)c2ccccc2)c1 ZINC000003254540 471438367 /nfs/dbraw/zinc/43/83/67/471438367.db2.gz XAYSRSHGADSZMA-UHFFFAOYSA-N 0 0 329.352 2.524 50 0 EFAARN Cn1cnnc1SCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000003292778 471441049 /nfs/dbraw/zinc/44/10/49/471441049.db2.gz KEQPGIBADBOFDD-UHFFFAOYSA-N 0 0 345.255 2.573 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)s1 ZINC000003302048 471442196 /nfs/dbraw/zinc/44/21/96/471442196.db2.gz QMWJNAMUUXFUTD-UHFFFAOYSA-N 0 0 333.365 2.639 50 0 EFAARN O=C(COC(=O)c1ccc2c(c1)OCO2)N1CCCc2ccccc21 ZINC000003319048 471442347 /nfs/dbraw/zinc/44/23/47/471442347.db2.gz UKYFJTALKOQRAT-UHFFFAOYSA-N 0 0 339.347 2.552 50 0 EFAARN COc1ccccc1N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000003336994 471442508 /nfs/dbraw/zinc/44/25/08/471442508.db2.gz JOZXRIJWDULBKN-UHFFFAOYSA-N 0 0 340.423 2.731 50 0 EFAARN COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 ZINC000003349616 471443025 /nfs/dbraw/zinc/44/30/25/471443025.db2.gz NKVZFUZZZZLHGN-UHFFFAOYSA-N 0 0 347.754 2.922 50 0 EFAARN CCN(C(=O)COC(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000003400448 471444279 /nfs/dbraw/zinc/44/42/79/471444279.db2.gz UFBCQOOVFZOEGF-UHFFFAOYSA-N 0 0 326.396 2.963 50 0 EFAARN COc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1 ZINC000003392360 471444712 /nfs/dbraw/zinc/44/47/12/471444712.db2.gz UHRGAAUAFRHVRH-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000003391934 471444971 /nfs/dbraw/zinc/44/49/71/471444971.db2.gz KXXQWHBPWCFDQI-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN COc1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 ZINC000003400365 471445003 /nfs/dbraw/zinc/44/50/03/471445003.db2.gz JKUAQUPRCBEFOX-UHFFFAOYSA-N 0 0 328.368 2.557 50 0 EFAARN COc1cccc(C(=O)OCC(=O)NCCC2=CCCCC2)c1OC ZINC000003409090 471445050 /nfs/dbraw/zinc/44/50/50/471445050.db2.gz MRCDRARIDMAUOB-UHFFFAOYSA-N 0 0 347.411 2.867 50 0 EFAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C=O)cc1 ZINC000003386274 471445069 /nfs/dbraw/zinc/44/50/69/471445069.db2.gz BNEFSRQBQHQERG-UHFFFAOYSA-N 0 0 327.336 2.612 50 0 EFAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(Cl)c1)C2=O ZINC000003458044 471445647 /nfs/dbraw/zinc/44/56/47/471445647.db2.gz IUTYMSYFTIMSOF-UHFFFAOYSA-N 0 0 349.818 2.779 50 0 EFAARN Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000003423730 471445969 /nfs/dbraw/zinc/44/59/69/471445969.db2.gz IJKYDTSRKFOZRW-UHFFFAOYSA-N 0 0 327.775 2.941 50 0 EFAARN COc1cc(NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000003426505 471446118 /nfs/dbraw/zinc/44/61/18/471446118.db2.gz URXSNLJKCUQFGF-UHFFFAOYSA-N 0 0 344.367 2.923 50 0 biogenic EFAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000003481027 471446822 /nfs/dbraw/zinc/44/68/22/471446822.db2.gz RLPDLMAYHNSKHY-UHFFFAOYSA-N 0 0 332.425 2.969 50 0 EFAARN COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccccc1 ZINC000003497927 471447913 /nfs/dbraw/zinc/44/79/13/471447913.db2.gz LQUPKJRFCHQSKG-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccncc1 ZINC000003501817 471449298 /nfs/dbraw/zinc/44/92/98/471449298.db2.gz YPBIJVMLCKCOMQ-UHFFFAOYSA-N 0 0 345.472 2.711 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)c(OC)c1 ZINC000003510056 471450574 /nfs/dbraw/zinc/45/05/74/471450574.db2.gz BUYODTQPSQXVLP-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000003844191 471455141 /nfs/dbraw/zinc/45/51/41/471455141.db2.gz JIVAERJCLFTJMG-MRXNPFEDSA-N 0 0 346.383 2.777 50 0 EFAARN COc1cc(CN/C=C2/C(=O)Nc3ccccc32)cc(OC)c1OC ZINC000003877160 471455934 /nfs/dbraw/zinc/45/59/34/471455934.db2.gz OXLYKMQVQZPLNY-SDNWHVSQSA-N 0 0 340.379 2.795 50 0 EFAARN O=C(CC12CC3CC(CC(C3)C1)C2)OCCNC(=O)c1cccnc1 ZINC000004012895 471456522 /nfs/dbraw/zinc/45/65/22/471456522.db2.gz WKZICURASUDNMI-UHFFFAOYSA-N 0 0 342.439 2.961 50 0 EFAARN COc1ccc([C@@H]2c3c(C)onc3C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC ZINC000003894340 471457140 /nfs/dbraw/zinc/45/71/40/471457140.db2.gz NLXCKNGJJCILBJ-GUDVDZBRSA-N 0 0 345.395 2.644 50 0 biogenic EFAARN CCOCCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)[C@@H](C)CC ZINC000003895917 471457258 /nfs/dbraw/zinc/45/72/58/471457258.db2.gz TXPINJKQKKFQPS-ODZFXCKXSA-N 0 0 340.508 2.886 50 0 EFAARN O=c1[nH]c(-c2ccc(F)cc2)nc2ccc(N3CCOCC3)cc12 ZINC000004002643 471457361 /nfs/dbraw/zinc/45/73/61/471457361.db2.gz FXSLHANNVFDWEM-UHFFFAOYSA-N 0 0 325.343 2.566 50 0 EFAARN Cc1ccc(C(=O)N[C@H](C(N)=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004006232 471457408 /nfs/dbraw/zinc/45/74/08/471457408.db2.gz RVXTZIYTPFSFIV-SJFHUFEGSA-N 0 0 326.440 2.795 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)n2ncnc2N1 ZINC000003953695 471457419 /nfs/dbraw/zinc/45/74/19/471457419.db2.gz DDFVPXLSODINQL-MRXNPFEDSA-N 0 0 332.367 2.601 50 0 EFAARN CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1cccnc1 ZINC000003895892 471457472 /nfs/dbraw/zinc/45/74/72/471457472.db2.gz NHIQNBXWXNLNNX-BDVYOWHSSA-N 0 0 331.460 2.665 50 0 EFAARN O[C@H](COc1ccc(Br)cc1)Cn1nnc2ccccc21 ZINC000003893716 471457496 /nfs/dbraw/zinc/45/74/96/471457496.db2.gz QULOBNFAVQKCQU-LBPRGKRZSA-N 0 0 348.200 2.634 50 0 EFAARN COc1ccc(CCNC(=O)c2cc(-c3ccco3)on2)cc1OC ZINC000003908392 471457530 /nfs/dbraw/zinc/45/75/30/471457530.db2.gz XFDXKGVNJKKJRK-UHFFFAOYSA-N 0 0 342.351 2.924 50 0 EFAARN O=C(NCCCCCCNC(=O)N1CCCCC1)N1CCCCC1 ZINC000003997970 471457574 /nfs/dbraw/zinc/45/75/74/471457574.db2.gz DXLJBAHAUYUXSC-UHFFFAOYSA-N 0 0 338.496 2.938 50 0 EFAARN CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000004029669 471458269 /nfs/dbraw/zinc/45/82/69/471458269.db2.gz JXVKMIMOPKYYME-LRDDRELGSA-N 0 0 339.439 2.797 50 0 biogenic EFAARN CCCCN(C(=O)c1cnc2n(c1=O)CCS2)c1ccccc1 ZINC000004089050 471458314 /nfs/dbraw/zinc/45/83/14/471458314.db2.gz PQSPUXUAVQYJEE-UHFFFAOYSA-N 0 0 329.425 2.796 50 0 EFAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1 ZINC000004077765 471458686 /nfs/dbraw/zinc/45/86/86/471458686.db2.gz HCJMTCUGJWCYQB-UHFFFAOYSA-N 0 0 348.453 2.926 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccnc1 ZINC000004061196 471459060 /nfs/dbraw/zinc/45/90/60/471459060.db2.gz LROCTZFMXFBAKG-CQSZACIVSA-N 0 0 341.436 2.981 50 0 EFAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000004077488 471459099 /nfs/dbraw/zinc/45/90/99/471459099.db2.gz XISIMBLMRHMUEM-INIZCTEOSA-N 0 0 342.326 2.744 50 0 EFAARN CC[C@@H](C)[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)C(=O)OC ZINC000004084898 471459165 /nfs/dbraw/zinc/45/91/65/471459165.db2.gz WJRSRHGYIWMFOW-BMIGLBTASA-N 0 0 332.356 2.502 50 0 biogenic EFAARN Cc1cccc(N(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004159561 471460097 /nfs/dbraw/zinc/46/00/97/471460097.db2.gz VIUTUGRUYQXNOL-KRWDZBQOSA-N 0 0 329.421 2.829 50 0 EFAARN CCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000004142642 471460511 /nfs/dbraw/zinc/46/05/11/471460511.db2.gz YNAFRFGPQZDTDS-UHFFFAOYSA-N 0 0 329.396 2.919 50 0 EFAARN CCOc1ccccc1Nc1nc(N)nc(CN2CCCC[C@@H]2C)n1 ZINC000004168459 471460816 /nfs/dbraw/zinc/46/08/16/471460816.db2.gz HHXJKPQCRMZZEA-ZDUSSCGKSA-N 0 0 342.447 2.971 50 0 EFAARN CCCCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 ZINC000004191477 471460848 /nfs/dbraw/zinc/46/08/48/471460848.db2.gz XXPLWIHPLZIFGV-UHFFFAOYSA-N 0 0 328.412 2.873 50 0 EFAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCN(C)C2 ZINC000004223441 471461057 /nfs/dbraw/zinc/46/10/57/471461057.db2.gz RPWIXLWGAXFGSQ-UHFFFAOYSA-N 0 0 334.397 2.758 50 0 EFAARN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004185624 471461305 /nfs/dbraw/zinc/46/13/05/471461305.db2.gz VAAAPAAXIYUDPA-CQSZACIVSA-N 0 0 329.849 2.512 50 0 EFAARN CCOC(=O)c1csc(NC(=O)c2coc3ccccc3c2=O)n1 ZINC000004194614 471461426 /nfs/dbraw/zinc/46/14/26/471461426.db2.gz LSWVRRKMYGJXLY-UHFFFAOYSA-N 0 0 344.348 2.679 50 0 EFAARN O=C(NCc1cccs1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000004295933 471462424 /nfs/dbraw/zinc/46/24/24/471462424.db2.gz GPQSOTRUYIIVPJ-XJKSGUPXSA-N 0 0 330.434 2.634 50 0 EFAARN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000004306718 471462626 /nfs/dbraw/zinc/46/26/26/471462626.db2.gz KTLNZLUPWLKBLC-DVOMOZLQSA-N 0 0 334.441 2.526 50 0 EFAARN Cc1ccc(-n2nnc(-c3nc(-c4ccncc4)no3)c2N)cc1C ZINC000004316755 471462801 /nfs/dbraw/zinc/46/28/01/471462801.db2.gz FLYQOQOCFVHNTL-UHFFFAOYSA-N 0 0 333.355 2.578 50 0 EFAARN O=c1c(=O)n(-c2cccc(Cl)c2)ccn1Cc1ccccc1F ZINC000004316016 471462864 /nfs/dbraw/zinc/46/28/64/471462864.db2.gz HYYUYYVJUQPOPH-UHFFFAOYSA-N 0 0 330.746 2.840 50 0 EFAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)c1ccc(C)cc1 ZINC000004317628 471463164 /nfs/dbraw/zinc/46/31/64/471463164.db2.gz PESMQXVPEZJQGG-UHFFFAOYSA-N 0 0 346.408 2.538 50 0 EFAARN COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C(=O)C[C@H]2c2ccccc21 ZINC000004373435 471463947 /nfs/dbraw/zinc/46/39/47/471463947.db2.gz ATNBNHLZMCGOMK-VKOGCVSHSA-N 0 0 347.370 2.655 50 0 EFAARN CC(=O)Nc1cccc(-n2nnc(SCc3ccccc3)n2)c1 ZINC000004324682 471464012 /nfs/dbraw/zinc/46/40/12/471464012.db2.gz ANFRNGBKIUAZLH-UHFFFAOYSA-N 0 0 325.397 2.913 50 0 EFAARN COC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341667 471464113 /nfs/dbraw/zinc/46/41/13/471464113.db2.gz CJGVMSRKSRRLGI-UHFFFAOYSA-N 0 0 334.788 2.734 50 0 EFAARN Cc1ccc(N2C[C@H](NC(=O)NCc3ccco3)CC2=O)cc1C ZINC000004373197 471464331 /nfs/dbraw/zinc/46/43/31/471464331.db2.gz TYKLILZHWDEWFL-CQSZACIVSA-N 0 0 327.384 2.501 50 0 EFAARN C[C@H](NC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccccc1 ZINC000004373819 471464463 /nfs/dbraw/zinc/46/44/63/471464463.db2.gz AVQSZSHMECROJI-BBRMVZONSA-N 0 0 341.386 2.991 50 0 EFAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000004374143 471464557 /nfs/dbraw/zinc/46/45/57/471464557.db2.gz LLHQJYHFEDGTRT-HNNXBMFYSA-N 0 0 339.370 2.703 50 0 EFAARN CCOC(=O)[C@H](CC)Sc1ccc2nnc(-c3ccncc3)n2n1 ZINC000004328154 471464623 /nfs/dbraw/zinc/46/46/23/471464623.db2.gz BMUKTTXQANAXPM-LBPRGKRZSA-N 0 0 343.412 2.620 50 0 EFAARN CCCN(CCC)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000004479523 471465031 /nfs/dbraw/zinc/46/50/31/471465031.db2.gz XNTAPCVDUWKFNQ-AWEZNQCLSA-N 0 0 333.432 2.632 50 0 EFAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)nn2)nc1 ZINC000004413135 471465548 /nfs/dbraw/zinc/46/55/48/471465548.db2.gz CVXWWOYTMWZOJM-UHFFFAOYSA-N 0 0 337.408 2.973 50 0 EFAARN Cc1cccc(NC2=N[C@H](c3ccco3)n3c(=O)cc(C)nc3N2)c1 ZINC000004413839 471465599 /nfs/dbraw/zinc/46/55/99/471465599.db2.gz QIKGCXPYXINREC-INIZCTEOSA-N 0 0 335.367 2.894 50 0 EFAARN CCCCN(C(=O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000004504600 471466499 /nfs/dbraw/zinc/46/64/99/471466499.db2.gz VSXVZPQSXVQCDQ-AWEZNQCLSA-N 0 0 329.849 2.769 50 0 EFAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3cc(OC)cc(OC)c32)cc1 ZINC000004502157 471466610 /nfs/dbraw/zinc/46/66/10/471466610.db2.gz WBOJHVDSNASXLS-AWEZNQCLSA-N 0 0 341.363 2.965 50 0 EFAARN Fc1ccc(OCc2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000004511765 471466627 /nfs/dbraw/zinc/46/66/27/471466627.db2.gz BLAOYVBTEJCMMW-UHFFFAOYSA-N 0 0 327.344 2.966 50 0 EFAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000004492014 471466661 /nfs/dbraw/zinc/46/66/61/471466661.db2.gz KCMLGQXGCSFIHE-INIZCTEOSA-N 0 0 348.399 2.675 50 0 EFAARN Cc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000004512696 471466743 /nfs/dbraw/zinc/46/67/43/471466743.db2.gz XQVDQECSKDLXNL-UHFFFAOYSA-N 0 0 337.335 2.704 50 0 EFAARN O=C(NCCNC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000004487363 471467017 /nfs/dbraw/zinc/46/70/17/471467017.db2.gz KAJFOVFUPLKKBS-UHFFFAOYSA-N 0 0 338.194 2.548 50 0 EFAARN Cc1ccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000004512139 471467022 /nfs/dbraw/zinc/46/70/22/471467022.db2.gz HTHUZTXFJZSJCQ-LLVKDONJSA-N 0 0 333.862 2.507 50 0 EFAARN O=C1N(CCOc2ccccc2)c2ccccc2C12OCCCO2 ZINC000004511530 471467046 /nfs/dbraw/zinc/46/70/46/471467046.db2.gz XRQKKWPXXXNENJ-UHFFFAOYSA-N 0 0 325.364 2.702 50 0 EFAARN CCOCCc1nnc(NC(=O)c2cccc(NC(=O)CC)c2)s1 ZINC000004502999 471467074 /nfs/dbraw/zinc/46/70/74/471467074.db2.gz VCUPZARSGXJJNZ-UHFFFAOYSA-N 0 0 348.428 2.718 50 0 EFAARN Cc1cc(C)c(NC(=O)[C@H]2CCCO2)c(C)c1NC(=O)[C@H]1CCCO1 ZINC000004512090 471467089 /nfs/dbraw/zinc/46/70/89/471467089.db2.gz NMYOYKSPQACELR-HUUCEWRRSA-N 0 0 346.427 2.847 50 0 EFAARN CCOC(=O)c1cn2nc(SCc3ccccc3)nc2nc1C ZINC000004511176 471467158 /nfs/dbraw/zinc/46/71/58/471467158.db2.gz SGCMZYNBVACSID-UHFFFAOYSA-N 0 0 328.397 2.902 50 0 EFAARN O=C(Nc1cccc(O)c1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000004520008 471468047 /nfs/dbraw/zinc/46/80/47/471468047.db2.gz BNQPBRFIEJUNCC-INIZCTEOSA-N 0 0 326.352 2.762 50 0 EFAARN COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NC(=O)c1ccco1 ZINC000004520032 471468417 /nfs/dbraw/zinc/46/84/17/471468417.db2.gz CREAEWBKDSYESE-AWEZNQCLSA-N 0 0 330.340 2.658 50 0 EFAARN CN(C)C(=O)N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl ZINC000004531894 471468701 /nfs/dbraw/zinc/46/87/01/471468701.db2.gz GXBZZAHMKZHKGK-YFKPBYRVSA-N 0 0 336.697 2.790 50 0 EFAARN COc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C)C3 ZINC000004592704 471469065 /nfs/dbraw/zinc/46/90/65/471469065.db2.gz LMVGVVADKVLPKC-HNNXBMFYSA-N 0 0 329.425 2.599 50 0 EFAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000004570411 471469383 /nfs/dbraw/zinc/46/93/83/471469383.db2.gz LCURDCHUNIPBCO-UHFFFAOYSA-N 0 0 348.424 2.994 50 0 EFAARN CCCCOc1ccccc1N1C(=O)C[C@@H](N2CCCCC2)C1=O ZINC000004601748 471469683 /nfs/dbraw/zinc/46/96/83/471469683.db2.gz JGBUFYRXTRLSIZ-MRXNPFEDSA-N 0 0 330.428 2.983 50 0 EFAARN COc1ccccc1CCNC(=O)C(=O)Nc1cccc(C)c1C ZINC000004583741 471469809 /nfs/dbraw/zinc/46/98/09/471469809.db2.gz CYLGQMRPZSHKSP-UHFFFAOYSA-N 0 0 326.396 2.609 50 0 EFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(O)c3)CC2=O)cc1 ZINC000004603076 471469947 /nfs/dbraw/zinc/46/99/47/471469947.db2.gz GTOAIUMMTGKMSD-CYBMUJFWSA-N 0 0 340.379 2.783 50 0 EFAARN O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccncc1 ZINC000004661466 471470587 /nfs/dbraw/zinc/47/05/87/471470587.db2.gz OGUVBOXSNVVZPK-UHFFFAOYSA-N 0 0 326.377 2.647 50 0 EFAARN CCN(CC)C(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O ZINC000004679868 471470754 /nfs/dbraw/zinc/47/07/54/471470754.db2.gz HJGRMXOOGXRVJA-SAPNQHFASA-N 0 0 326.396 2.723 50 0 EFAARN CCOc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000004660746 471470910 /nfs/dbraw/zinc/47/09/10/471470910.db2.gz QTWLWQLZDRVTPY-UHFFFAOYSA-N 0 0 334.397 2.709 50 0 EFAARN O=C1C=C(NCCc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000004624934 471470961 /nfs/dbraw/zinc/47/09/61/471470961.db2.gz BDBAUEWQCPVAQC-UHFFFAOYSA-N 0 0 326.783 2.929 50 0 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2.663 50 0 EFAARN Cc1cc(=O)oc2cc(OCc3nnnn3-c3ccccc3)ccc12 ZINC000004743727 471473530 /nfs/dbraw/zinc/47/35/30/471473530.db2.gz MTKUFWWGPRARDW-UHFFFAOYSA-N 0 0 334.335 2.656 50 0 biogenic EFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000004731613 471473642 /nfs/dbraw/zinc/47/36/42/471473642.db2.gz RSEWFCHTXDFZFR-LBPRGKRZSA-N 0 0 330.384 2.535 50 0 EFAARN O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccn1 ZINC000004749710 471473686 /nfs/dbraw/zinc/47/36/86/471473686.db2.gz ZLNSMXZNCGNETF-UHFFFAOYSA-N 0 0 326.377 2.647 50 0 EFAARN COc1cc(NS(=O)(=O)Cc2ccccc2)cc(OC)c1OC ZINC000004742352 471474060 /nfs/dbraw/zinc/47/40/60/471474060.db2.gz LHYPVZXPMRBIFS-UHFFFAOYSA-N 0 0 337.397 2.654 50 0 EFAARN CNS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000004749610 471474110 /nfs/dbraw/zinc/47/41/10/471474110.db2.gz CEAGPEYUSCNRQU-UHFFFAOYSA-N 0 0 344.392 2.902 50 0 EFAARN O=C(Cc1cccs1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000004731656 471474139 /nfs/dbraw/zinc/47/41/39/471474139.db2.gz 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328.343 2.644 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccccc2Cl)c(OC)c1 ZINC000006731449 471564541 /nfs/dbraw/zinc/56/45/41/471564541.db2.gz JHMCDYXCIIIAOZ-UHFFFAOYSA-N 0 0 341.816 2.836 50 0 EFAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(C)ccc2O)C1 ZINC000006738283 471564625 /nfs/dbraw/zinc/56/46/25/471564625.db2.gz LNQGJTGIUNAQNG-QGZVFWFLSA-N 0 0 326.352 2.841 50 0 EFAARN CCCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl ZINC000006746655 471565768 /nfs/dbraw/zinc/56/57/68/471565768.db2.gz RZKUFMFSFVFBJG-LLVKDONJSA-N 0 0 333.837 2.586 50 0 EFAARN Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 ZINC000006753011 471566527 /nfs/dbraw/zinc/56/65/27/471566527.db2.gz DGFRVRNUPBRIJP-LJQANCHMSA-N 0 0 349.390 2.628 50 0 EFAARN CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 ZINC000006754661 471566820 /nfs/dbraw/zinc/56/68/20/471566820.db2.gz XVZZHLNEPRFXLJ-UHFFFAOYSA-N 0 0 339.461 2.866 50 0 EFAARN Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1 ZINC000006753012 471566996 /nfs/dbraw/zinc/56/69/96/471566996.db2.gz 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/nfs/dbraw/zinc/77/28/63/471772863.db2.gz JSUBNYUOGGXMQO-NSHDSACASA-N 0 0 335.201 2.928 50 0 EFAARN CC(C)CNC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000012382285 471773197 /nfs/dbraw/zinc/77/31/97/471773197.db2.gz WZDFKABKJMSZOT-UHFFFAOYSA-N 0 0 345.399 2.948 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000012379664 471773209 /nfs/dbraw/zinc/77/32/09/471773209.db2.gz HZNGVFQPVOXNIZ-UHFFFAOYSA-N 0 0 339.395 2.734 50 0 EFAARN C[C@H](NC(=S)NCc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000012383352 471773306 /nfs/dbraw/zinc/77/33/06/471773306.db2.gz GKELCBDCMZRUCB-GUYCJALGSA-N 0 0 328.437 2.879 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccc(F)cc12 ZINC000012375153 471773715 /nfs/dbraw/zinc/77/37/15/471773715.db2.gz NFYDTHIGRMTRLP-UHFFFAOYSA-N 0 0 340.310 2.900 50 0 EFAARN C[C@@H](NC(=S)NCc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000012383355 471773766 /nfs/dbraw/zinc/77/37/66/471773766.db2.gz GKELCBDCMZRUCB-CXAGYDPISA-N 0 0 328.437 2.879 50 0 EFAARN COc1cccc(CC[C@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 ZINC000012385566 471774044 /nfs/dbraw/zinc/77/40/44/471774044.db2.gz FNWYECVIQFSCSB-GOSISDBHSA-N 0 0 346.471 2.894 50 0 EFAARN COC(=O)Cn1c2c(c(C)nn2-c2ccccc2)c(C(F)F)cc1=O ZINC000012396383 471774340 /nfs/dbraw/zinc/77/43/40/471774340.db2.gz KBJBQIITRHNKMK-UHFFFAOYSA-N 0 0 347.321 2.606 50 0 EFAARN COc1cccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000012390643 471774477 /nfs/dbraw/zinc/77/44/77/471774477.db2.gz VZBCNWGXKZIPLH-HNNXBMFYSA-N 0 0 336.395 2.758 50 0 EFAARN C=Cc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000012430253 471774563 /nfs/dbraw/zinc/77/45/63/471774563.db2.gz JPMTVFVWDHFAGS-IBGZPJMESA-N 0 0 334.419 2.903 50 0 EFAARN Cc1cccc(CNC(=O)c2cn(CCC3CCCCC3)nn2)n1 ZINC000012435925 471774801 /nfs/dbraw/zinc/77/48/01/471774801.db2.gz WLSAGRKKGCZDLA-UHFFFAOYSA-N 0 0 327.432 2.882 50 0 EFAARN COC(=O)CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O ZINC000012397949 471774814 /nfs/dbraw/zinc/77/48/14/471774814.db2.gz UNYDJVOFKZUYNZ-UHFFFAOYSA-N 0 0 339.342 2.814 50 0 EFAARN CCCCN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012437466 471774828 /nfs/dbraw/zinc/77/48/28/471774828.db2.gz FWUUXKWOPIVUCE-MRXNPFEDSA-N 0 0 334.435 2.865 50 0 EFAARN Cc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)c(Cl)c1 ZINC000012414914 471774911 /nfs/dbraw/zinc/77/49/11/471774911.db2.gz WUBNPZULHVWYCE-UHFFFAOYSA-N 0 0 331.803 2.723 50 0 EFAARN NC(=O)CSc1nnc(C[C@@H](c2ccco2)c2ccccc2)o1 ZINC000012391033 471775118 /nfs/dbraw/zinc/77/51/18/471775118.db2.gz LUTNTKXGFFWXMN-GFCCVEGCSA-N 0 0 329.381 2.615 50 0 EFAARN COC(=O)c1ccc(-c2nc(CN(C)[C@H]3CCOC3)c(C)o2)cc1 ZINC000012432913 471775158 /nfs/dbraw/zinc/77/51/58/471775158.db2.gz SPMIPPMQGPQAGR-HNNXBMFYSA-N 0 0 330.384 2.657 50 0 EFAARN O=C(NCCc1ccncc1)c1cn(CCC2CCCCC2)nn1 ZINC000012436393 471775436 /nfs/dbraw/zinc/77/54/36/471775436.db2.gz QKQLHFZUTWVUMR-UHFFFAOYSA-N 0 0 327.432 2.616 50 0 EFAARN O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCC2)CC1)C1CC1 ZINC000012431991 471775446 /nfs/dbraw/zinc/77/54/46/471775446.db2.gz KVXXGPPNIABKIL-UHFFFAOYSA-N 0 0 328.416 2.505 50 0 EFAARN O=C(NCCc1ccc(O)cc1)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012408442 471775470 /nfs/dbraw/zinc/77/54/70/471775470.db2.gz FGWSSSVDVUSMDT-UHFFFAOYSA-N 0 0 348.362 2.896 50 0 EFAARN CN(Cc1ccoc1)Cc1nnc(SCc2ccncc2)n1C ZINC000012471045 471775664 /nfs/dbraw/zinc/77/56/64/471775664.db2.gz QZOUEGIIUUTGJE-UHFFFAOYSA-N 0 0 329.429 2.727 50 0 EFAARN O=C(CCc1cnccn1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012472651 471776056 /nfs/dbraw/zinc/77/60/56/471776056.db2.gz RJZOFNTZSCFUBM-OAHLLOKOSA-N 0 0 346.381 2.791 50 0 EFAARN O=C(NC[C@@H]1CCCCO1)c1coc(COc2ccc(F)cc2)n1 ZINC000012469566 471776120 /nfs/dbraw/zinc/77/61/20/471776120.db2.gz FZLOILGTTDBOIG-AWEZNQCLSA-N 0 0 334.347 2.692 50 0 EFAARN CCOC(=O)CNC(=O)NCc1cccnc1Oc1ccccc1C ZINC000012447853 471776220 /nfs/dbraw/zinc/77/62/20/471776220.db2.gz ZGYXUBFKSFGLBE-UHFFFAOYSA-N 0 0 343.383 2.545 50 0 EFAARN O=C(C1CC1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012476262 471776226 /nfs/dbraw/zinc/77/62/26/471776226.db2.gz XGZLOSJPMVVTHY-IBGZPJMESA-N 0 0 330.403 2.577 50 0 EFAARN COc1ccc(-c2cnnc(NCCc3nc(C)cc(C)n3)n2)cc1 ZINC000012464976 471776262 /nfs/dbraw/zinc/77/62/62/471776262.db2.gz QNKUUIIPBONKNY-UHFFFAOYSA-N 0 0 336.399 2.609 50 0 EFAARN O=C(c1c[nH]cn1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012445185 471776377 /nfs/dbraw/zinc/77/63/77/471776377.db2.gz GJFWADMYFMWYRK-CYBMUJFWSA-N 0 0 339.317 2.512 50 0 EFAARN O=C(CCc1ccco1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000012452621 471776442 /nfs/dbraw/zinc/77/64/42/471776442.db2.gz NLQUKIHAJZGFMI-KRWDZBQOSA-N 0 0 349.390 2.789 50 0 EFAARN O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000012476906 471776540 /nfs/dbraw/zinc/77/65/40/471776540.db2.gz UPUYBYQDCSKMRD-ZDUSSCGKSA-N 0 0 340.345 2.723 50 0 EFAARN CCCCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012574965 471782286 /nfs/dbraw/zinc/78/22/86/471782286.db2.gz YPAGCJSHPIOGRS-UHFFFAOYSA-N 0 0 344.455 2.996 50 0 EFAARN COc1ccc(CC[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 ZINC000012593513 471783433 /nfs/dbraw/zinc/78/34/33/471783433.db2.gz CTAFUINMBRFUCF-KRWDZBQOSA-N 0 0 327.428 2.763 50 0 EFAARN COCCc1nc2ccc(C(=O)N3CCC[C@H](CCCO)C3)cc2o1 ZINC000012588645 471783696 /nfs/dbraw/zinc/78/36/96/471783696.db2.gz VXELDQGQKUKBHF-CQSZACIVSA-N 0 0 346.427 2.641 50 0 EFAARN CC(C)Oc1ccc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 ZINC000012580537 471783742 /nfs/dbraw/zinc/78/37/42/471783742.db2.gz LEXHKPAASGCDJD-HNNXBMFYSA-N 0 0 332.444 2.851 50 0 EFAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC000012591654 471783878 /nfs/dbraw/zinc/78/38/78/471783878.db2.gz ALRLFROFDMVYAC-MRXNPFEDSA-N 0 0 339.439 2.574 50 0 EFAARN COc1ccc(CC[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 ZINC000012593519 471783980 /nfs/dbraw/zinc/78/39/80/471783980.db2.gz CTAFUINMBRFUCF-QGZVFWFLSA-N 0 0 327.428 2.763 50 0 EFAARN CSCCCNC(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012597566 471785211 /nfs/dbraw/zinc/78/52/11/471785211.db2.gz LJWHMHSDBCAQSG-KRWDZBQOSA-N 0 0 348.512 2.727 50 0 EFAARN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O ZINC000012654786 471787135 /nfs/dbraw/zinc/78/71/35/471787135.db2.gz PDGOLSYMTUHGLT-UHFFFAOYSA-N 0 0 329.809 2.562 50 0 EFAARN COc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000012652875 471787471 /nfs/dbraw/zinc/78/74/71/471787471.db2.gz UFERXBDWCJJQEC-GDNBJRDFSA-N 0 0 340.404 2.966 50 0 EFAARN O=C(CC1=CCCCC1)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012704540 471790341 /nfs/dbraw/zinc/79/03/41/471790341.db2.gz VTPWFESVNVCMSZ-KRWDZBQOSA-N 0 0 330.403 2.933 50 0 EFAARN CC(C)OCCCNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012711494 471791730 /nfs/dbraw/zinc/79/17/30/471791730.db2.gz QIRWWHSXMTVRKE-QGZVFWFLSA-N 0 0 338.492 2.737 50 0 EFAARN COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)C(C)C)C2)c(C)c1 ZINC000012715750 471791786 /nfs/dbraw/zinc/79/17/86/471791786.db2.gz XRTOYWLSPUNFHS-AWEZNQCLSA-N 0 0 339.457 2.637 50 0 EFAARN O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC[C@H]1CCCO1 ZINC000012712952 471791934 /nfs/dbraw/zinc/79/19/34/471791934.db2.gz BXUAWUYXETUPLF-GOSISDBHSA-N 0 0 348.487 2.801 50 0 EFAARN O=C(NCCc1ccccc1F)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012714931 471791947 /nfs/dbraw/zinc/79/19/47/471791947.db2.gz OHDWMVGOFKHCDB-HNNXBMFYSA-N 0 0 332.419 2.666 50 0 EFAARN COc1cccc(OCc2cc(C(=O)N3CCC[C@@H](OC)C3)no2)c1 ZINC000012751937 471793458 /nfs/dbraw/zinc/79/34/58/471793458.db2.gz QJHJIQAFDKYNDD-OAHLLOKOSA-N 0 0 346.383 2.513 50 0 EFAARN O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000012865638 471801675 /nfs/dbraw/zinc/80/16/75/471801675.db2.gz ZWRZKWGPMMOOFR-JTQLQIEISA-N 0 0 333.750 2.866 50 0 EFAARN COc1ccc(N2C[C@@H](c3nc(-c4cccnc4)no3)CC2=O)cc1 ZINC000013036960 471814410 /nfs/dbraw/zinc/81/44/10/471814410.db2.gz UBTRWAUNNPJXSC-ZDUSSCGKSA-N 0 0 336.351 2.661 50 0 EFAARN CCc1c(C)nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c1=O ZINC000013119484 471817546 /nfs/dbraw/zinc/81/75/46/471817546.db2.gz VNIJAFIUIFNBPP-UHFFFAOYSA-N 0 0 332.835 2.621 50 0 EFAARN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)cc1 ZINC000013123857 471817995 /nfs/dbraw/zinc/81/79/95/471817995.db2.gz AXWYLFOSJCFRFC-MRXNPFEDSA-N 0 0 348.362 2.761 50 0 EFAARN COc1cccc(CN2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000013320002 471825242 /nfs/dbraw/zinc/82/52/42/471825242.db2.gz MQSPLJRTYZMOSW-UHFFFAOYSA-N 0 0 331.460 2.855 50 0 EFAARN O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc(Cl)cc1Cl ZINC000013324104 471826397 /nfs/dbraw/zinc/82/63/97/471826397.db2.gz IFCFPPDUQYJZCD-UHFFFAOYSA-N 0 0 346.195 2.925 50 0 EFAARN Cc1cc(C(=O)NCCN2CCOCC2)sc1-c1ccccc1 ZINC000013326270 471826587 /nfs/dbraw/zinc/82/65/87/471826587.db2.gz SXQPUNPEHJKVSS-UHFFFAOYSA-N 0 0 330.453 2.786 50 0 EFAARN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c3nonc32)cs1 ZINC000013326731 471826700 /nfs/dbraw/zinc/82/67/00/471826700.db2.gz UMSDACQDCHGJGX-UHFFFAOYSA-N 0 0 344.396 2.682 50 0 EFAARN COc1cc2oc3c(c(=O)c2c(O)c1C)-c1ccc(O)cc1O[C@H]3O ZINC000013378581 471827563 /nfs/dbraw/zinc/82/75/63/471827563.db2.gz SUWMBRRWYKHHDH-GOSISDBHSA-N 0 0 342.303 2.572 50 0 biogenic EFAARN CCOC(=O)c1ccc(NC(=S)NC[C@@H](O)c2ccccc2)cc1 ZINC000013482279 471830749 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ZINC000013544049 471832771 /nfs/dbraw/zinc/83/27/71/471832771.db2.gz CHHKSNMJLKAQEH-CQSZACIVSA-N 0 0 325.368 2.622 50 0 EFAARN CC[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccc(OC)cc1 ZINC000013572046 471833115 /nfs/dbraw/zinc/83/31/15/471833115.db2.gz NHYUHCRPQRUQTJ-LBPRGKRZSA-N 0 0 343.412 2.871 50 0 EFAARN C[C@H](Sc1ncnc2[nH]cnc21)C(=O)NCCCc1ccccc1 ZINC000013569778 471833263 /nfs/dbraw/zinc/83/32/63/471833263.db2.gz DUGQNJHTZFZEKR-LBPRGKRZSA-N 0 0 341.440 2.583 50 0 EFAARN Cc1ccc(-n2nnnc2CSc2nc(C)cc(C)n2)c(C)c1 ZINC000013624538 471834528 /nfs/dbraw/zinc/83/45/28/471834528.db2.gz RLMGGADEWQHVDW-UHFFFAOYSA-N 0 0 326.429 2.978 50 0 EFAARN CC(C)c1c(OC(=O)c2ccc(F)cc2)nc2n(c1=O)CCS2 ZINC000013625403 471834654 /nfs/dbraw/zinc/83/46/54/471834654.db2.gz LQVGAVVYSGUSDD-UHFFFAOYSA-N 0 0 334.372 2.831 50 0 EFAARN COc1cccc(Nc2nc(N)nc(CN3CCCC[C@@H]3C)n2)c1 ZINC000013639056 471835988 /nfs/dbraw/zinc/83/59/88/471835988.db2.gz VEVPIZVCWVKVQM-LBPRGKRZSA-N 0 0 328.420 2.580 50 0 EFAARN 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DECRUKQUIBBKDE-MRXNPFEDSA-N 0 0 327.428 2.996 50 0 EFAARN O=S(=O)(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)C1CC1 ZINC000534590686 478161188 /nfs/dbraw/zinc/16/11/88/478161188.db2.gz LDXJIQKVGJYPAO-INIZCTEOSA-N 0 0 342.892 2.949 50 0 EFAARN CCCn1ccnc1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000534592166 478162746 /nfs/dbraw/zinc/16/27/46/478162746.db2.gz BWXFLNOSNBLERA-UHFFFAOYSA-N 0 0 327.837 2.566 50 0 EFAARN CC[C@H](NC(=O)N(C)Cc1nc2cc(C)ccc2[nH]1)c1ccnn1C ZINC000534635495 478163619 /nfs/dbraw/zinc/16/36/19/478163619.db2.gz COXGHNRKHNEKON-ZDUSSCGKSA-N 0 0 340.431 2.898 50 0 EFAARN COc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc(N)n1 ZINC000534634196 478163788 /nfs/dbraw/zinc/16/37/88/478163788.db2.gz RHIHQIBTRQFBNS-UHFFFAOYSA-N 0 0 328.416 2.993 50 0 EFAARN CC(C)Cn1cncc1CNC(=O)N(C)C[C@@H]1Cc2ccccc2O1 ZINC000534639237 478164044 /nfs/dbraw/zinc/16/40/44/478164044.db2.gz BFAYPKXIIGLDNC-KRWDZBQOSA-N 0 0 342.443 2.684 50 0 EFAARN CCC1(CNC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)CCC1 ZINC000534636945 478164117 /nfs/dbraw/zinc/16/41/17/478164117.db2.gz PLROKVGIFVDNNY-UHFFFAOYSA-N 0 0 345.443 2.634 50 0 EFAARN O=C([O-])COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000534642851 478164331 /nfs/dbraw/zinc/16/43/31/478164331.db2.gz WHDZUJJKHMODMV-GOSISDBHSA-N 0 0 327.380 2.803 50 0 EFAARN CN1CCO[C@H](CNC(=O)c2ccccc2-c2ccccc2F)C1 ZINC000534642859 478164379 /nfs/dbraw/zinc/16/43/79/478164379.db2.gz FXBWCXFCYASUHL-CQSZACIVSA-N 0 0 328.387 2.553 50 0 EFAARN CC(C)n1ncnc1-c1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000534639290 478164395 /nfs/dbraw/zinc/16/43/95/478164395.db2.gz KQRRSPQJVOWEGM-UHFFFAOYSA-N 0 0 338.415 2.543 50 0 EFAARN O=C(NCc1nc(-c2ccccc2Cl)no1)N1CCSCC1 ZINC000534642990 478164429 /nfs/dbraw/zinc/16/44/29/478164429.db2.gz LULPAQKZOFKXJP-UHFFFAOYSA-N 0 0 338.820 2.648 50 0 EFAARN Cc1ccc2c(c1)[C@@H](NC(=O)c1nnc3n1CCCC3)CC(C)(C)O2 ZINC000534640851 478164756 /nfs/dbraw/zinc/16/47/56/478164756.db2.gz ZZSGXPIJSKSCLX-AWEZNQCLSA-N 0 0 340.427 2.955 50 0 EFAARN Cc1ccnc(C[C@H](C)N(C)C(=O)NCC2(Cn3ccnc3)CC2)c1 ZINC000534653380 478165362 /nfs/dbraw/zinc/16/53/62/478165362.db2.gz MAGWHBPKGQQZJG-INIZCTEOSA-N 0 0 341.459 2.639 50 0 EFAARN Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N2CCC[C@H]2CO)c1 ZINC000534654261 478165397 /nfs/dbraw/zinc/16/53/97/478165397.db2.gz OFWGWEWEPSHXLS-INIZCTEOSA-N 0 0 325.412 2.859 50 0 EFAARN Cc1c[nH]c([C@H](C)NC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)n1 ZINC000534650564 478165558 /nfs/dbraw/zinc/16/55/58/478165558.db2.gz HNJIATMCHPDYEK-ZDUSSCGKSA-N 0 0 340.427 2.803 50 0 EFAARN COC[C@@H](NC(=O)N(C)Cc1cccc(SC)c1)c1ccnn1C ZINC000534647920 478165897 /nfs/dbraw/zinc/16/58/97/478165897.db2.gz OXJAJTLTMFGIAF-OAHLLOKOSA-N 0 0 348.472 2.671 50 0 EFAARN O=C(CNC(=O)N1CCCC[C@@H]1CCc1cccs1)N1CCCC1 ZINC000534665411 478168039 /nfs/dbraw/zinc/16/80/39/478168039.db2.gz NNTMEWYFNMMRIF-OAHLLOKOSA-N 0 0 349.500 2.867 50 0 EFAARN CCCn1nccc1S(=O)(=O)NC1(Cc2ccccc2C)CC1 ZINC000534667776 478168070 /nfs/dbraw/zinc/16/80/70/478168070.db2.gz WODFKLKXVSIZRM-UHFFFAOYSA-N 0 0 333.457 2.655 50 0 EFAARN CCOC[C@@H]1CCCN1C(=O)NCc1cccc(OC)c1OCC ZINC000534664793 478168275 /nfs/dbraw/zinc/16/82/75/478168275.db2.gz FAWAGOKNUYMNIU-HNNXBMFYSA-N 0 0 336.432 2.804 50 0 EFAARN Cc1cc2c(c(=O)n1C)[C@@H](C1=Cc3ccccc3O[C@@H]1C)CC(=O)O2 ZINC000524730341 478389818 /nfs/dbraw/zinc/38/98/18/478389818.db2.gz GBUMOCNAICKFNH-IUODEOHRSA-N 0 0 337.375 2.951 50 0 biogenic EFAARN CSCC[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)n1cccc1 ZINC000524729009 478389845 /nfs/dbraw/zinc/38/98/45/478389845.db2.gz PABDGGHZVVETBN-LZLYRXPVSA-N 0 0 336.501 2.936 50 0 biogenic EFAARN COCc1nc(-c2cccc(NC(=O)CCCn3cccc3)c2)n[nH]1 ZINC000524735550 478390522 /nfs/dbraw/zinc/39/05/22/478390522.db2.gz IWSLCFWZXWHJNZ-UHFFFAOYSA-N 0 0 339.399 2.839 50 0 EFAARN Cc1ccnc(NC(=O)COc2c(=O)ccn(CCC(C)C)c2C)c1 ZINC000524734068 478391212 /nfs/dbraw/zinc/39/12/12/478391212.db2.gz SSUVCFYHFHTONE-UHFFFAOYSA-N 0 0 343.427 2.924 50 0 EFAARN Cn1ccnc1-c1cncnc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000526056006 478402474 /nfs/dbraw/zinc/40/24/74/478402474.db2.gz RSDGKRNIUYQYJR-UHFFFAOYSA-N 0 0 343.431 2.992 50 0 EFAARN O=C(NCCC1=CCCCC1)c1ncn(C[C@@H](O)c2ccccc2)n1 ZINC000583649347 478905176 /nfs/dbraw/zinc/90/51/76/478905176.db2.gz LHZIEILWZXDHPA-QGZVFWFLSA-N 0 0 340.427 2.632 50 0 EFAARN Cc1cccc(-c2nnc3n2C[C@H](C(=O)N2CCCCCO2)CC3)c1 ZINC000565344545 478981978 /nfs/dbraw/zinc/98/19/78/478981978.db2.gz DIVBBTSJVYZEHH-MRXNPFEDSA-N 0 0 340.427 2.760 50 0 EFAARN CC(=O)N[C@@H]1CCN(C(=O)NCCCSCc2ccccc2C)C1 ZINC000584887461 479270533 /nfs/dbraw/zinc/27/05/33/479270533.db2.gz CYLMFFGJSRSHLQ-QGZVFWFLSA-N 0 0 349.500 2.538 50 0 EFAARN O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)N1CCCCCC1 ZINC000584887604 479271524 /nfs/dbraw/zinc/27/15/24/479271524.db2.gz NMGGLXQYSUAMIL-QGZVFWFLSA-N 0 0 331.460 2.942 50 0 EFAARN COCCOC1CCN(C(=O)[C@H](C)Nc2c(C)cccc2C)CC1 ZINC000584886987 479271792 /nfs/dbraw/zinc/27/17/92/479271792.db2.gz PUYYDMLPCQHNJU-INIZCTEOSA-N 0 0 334.460 2.758 50 0 EFAARN Cc1nccn1[C@@H](C)CC(=O)N(C)Cc1cc(-c2ccccn2)no1 ZINC000584890760 479272386 /nfs/dbraw/zinc/27/23/86/479272386.db2.gz CGOMTOBMVCZFLI-ZDUSSCGKSA-N 0 0 339.399 2.851 50 0 EFAARN CNc1ccc(Cl)cc1C(=O)N[C@H]1CCCN(c2cnccn2)C1 ZINC000584889881 479272471 /nfs/dbraw/zinc/27/24/71/479272471.db2.gz HTBKBTQUJVZBDW-ZDUSSCGKSA-N 0 0 345.834 2.571 50 0 EFAARN Cc1csc([C@H](C)CNC(=O)c2cc(-c3ccncc3)n[nH]2)n1 ZINC000584888194 479272529 /nfs/dbraw/zinc/27/25/29/479272529.db2.gz QGSOXAAOMSWEDE-SNVBAGLBSA-N 0 0 327.413 2.770 50 0 EFAARN Cc1cccc(N2C[C@@H](NC(=O)c3cccn3C(C)C)CC2=O)c1 ZINC000584893026 479273971 /nfs/dbraw/zinc/27/39/71/479273971.db2.gz IEOLOOSZDVDKPO-HNNXBMFYSA-N 0 0 325.412 2.913 50 0 EFAARN Cc1cc(C)n(CCC(=O)NCc2ccc(-n3ccnc3C)cc2)n1 ZINC000584892486 479274259 /nfs/dbraw/zinc/27/42/59/479274259.db2.gz UEXHYOKNBYQXOM-UHFFFAOYSA-N 0 0 337.427 2.701 50 0 EFAARN Cc1ncn(CCNC(=O)N(C)Cc2csc(C(C)C)n2)c1C ZINC000584893153 479274365 /nfs/dbraw/zinc/27/43/65/479274365.db2.gz CISRDYFZFDCVGU-UHFFFAOYSA-N 0 0 335.477 2.921 50 0 EFAARN CO[C@H]1COC[C@@H]1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000584895249 479274720 /nfs/dbraw/zinc/27/47/20/479274720.db2.gz LPPUFBMNUKJKLS-GJZGRUSLSA-N 0 0 342.798 2.567 50 0 EFAARN CCC[C@@H](NC(=O)N1CCC2(CNC(=O)O2)CC1)c1cccs1 ZINC000584897245 479275486 /nfs/dbraw/zinc/27/54/86/479275486.db2.gz FMXGWXNZWWDPNP-GFCCVEGCSA-N 0 0 337.445 2.873 50 0 EFAARN O=C(CNC(=O)N1CCCC[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000584898838 479275529 /nfs/dbraw/zinc/27/55/29/479275529.db2.gz RNLUONMEZVDRCR-INIZCTEOSA-N 0 0 333.407 2.685 50 0 EFAARN Cc1n[nH]c(CCC(=O)N[C@H](c2nccn2C)c2ccccc2)c1C ZINC000584900457 479276449 /nfs/dbraw/zinc/27/64/49/479276449.db2.gz CVQPRVZBCZMOBC-SFHVURJKSA-N 0 0 337.427 2.598 50 0 EFAARN Cc1nccn1C[C@@H]1CCCN(C(=O)Cc2noc3ccccc32)C1 ZINC000584903136 479276613 /nfs/dbraw/zinc/27/66/13/479276613.db2.gz VSHZEAIJXXISQX-HNNXBMFYSA-N 0 0 338.411 2.814 50 0 EFAARN CCOC(=O)c1cc(-c2ccc(C(=O)N(C)CCOC)cc2)c(C)[nH]1 ZINC000584901261 479277052 /nfs/dbraw/zinc/27/70/52/479277052.db2.gz AGJZQYSZNCAWJA-UHFFFAOYSA-N 0 0 344.411 2.885 50 0 EFAARN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCOc2ccccc2C1 ZINC000584902330 479277215 /nfs/dbraw/zinc/27/72/15/479277215.db2.gz ZNUVKNMNJSXCRN-HNNXBMFYSA-N 0 0 329.396 2.674 50 0 EFAARN Cc1nc2c(cnn2C)c(-c2cccc(C(=O)NCC(F)(F)F)c2)n1 ZINC000584900767 479277218 /nfs/dbraw/zinc/27/72/18/479277218.db2.gz OHQDFSRLOLQQPG-UHFFFAOYSA-N 0 0 349.316 2.631 50 0 EFAARN CO[C@@H]1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)C1 ZINC000584900516 479277271 /nfs/dbraw/zinc/27/72/71/479277271.db2.gz GVNNCRCYXLMQAC-GFCCVEGCSA-N 0 0 335.791 2.925 50 0 EFAARN NC(=O)C1(NC(=O)COc2ccc(F)c(Cl)c2)CCCCCC1 ZINC000584903662 479277420 /nfs/dbraw/zinc/27/74/20/479277420.db2.gz DGHZALNQIDFATD-UHFFFAOYSA-N 0 0 342.798 2.552 50 0 EFAARN COc1cccc(-c2cc(CNC(=O)N3C[C@@H](C)O[C@@H](C)C3)no2)c1 ZINC000584904139 479277729 /nfs/dbraw/zinc/27/77/29/479277729.db2.gz NOBAQXKWCONYHL-BETUJISGSA-N 0 0 345.399 2.669 50 0 EFAARN CC(C)c1cc(CNC(=O)N(Cc2cocn2)Cc2cocn2)no1 ZINC000584904108 479278199 /nfs/dbraw/zinc/27/81/99/479278199.db2.gz XSDIMLFOSFFGHD-UHFFFAOYSA-N 0 0 345.359 2.686 50 0 EFAARN NC(=O)[C@@H](F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000585132817 479294965 /nfs/dbraw/zinc/29/49/65/479294965.db2.gz XGYNSMGKDLIODX-JTQLQIEISA-N 0 0 339.720 2.794 50 0 EFAARN Cc1cc(C)n(-c2nc(C=Cc3cn(C(C)(C)C)nn3)cc(=O)[nH]2)n1 ZINC000585135856 479295640 /nfs/dbraw/zinc/29/56/40/479295640.db2.gz GIMWPHPUGUHOFA-VOTSOKGWSA-N 0 0 339.403 2.502 50 0 EFAARN COc1cccc(OC)c1S(=O)(=O)Cc1csc(Cl)n1 ZINC000585136925 479296444 /nfs/dbraw/zinc/29/64/44/479296444.db2.gz YSBSYWUFMNHWKN-UHFFFAOYSA-N 0 0 333.818 2.788 50 0 EFAARN COc1nsc(COC(=O)c2ccnc(C)c2)c1Br ZINC000585135947 479296517 /nfs/dbraw/zinc/29/65/17/479296517.db2.gz JXBGRGJGNQTJIL-UHFFFAOYSA-N 0 0 343.202 2.975 50 0 EFAARN Cc1nccc(O[C@H]2CCN(C(=O)CCSc3ccccc3)C2)n1 ZINC000585147132 479299767 /nfs/dbraw/zinc/29/97/67/479299767.db2.gz MBMVQOHFXJASQT-HNNXBMFYSA-N 0 0 343.452 2.947 50 0 EFAARN Cc1cc2ncc(C(=O)Nc3cccnc3N3CCCC3)c(C)n2n1 ZINC000585145719 479299869 /nfs/dbraw/zinc/29/98/69/479299869.db2.gz ITQGJTLAQMLVPV-UHFFFAOYSA-N 0 0 336.399 2.594 50 0 EFAARN COc1ccccc1C(=O)N1CCC[C@@H](Oc2nc(C)cc(C)n2)C1 ZINC000585147346 479300023 /nfs/dbraw/zinc/30/00/23/479300023.db2.gz SIYTVKMYLKPVSG-OAHLLOKOSA-N 0 0 341.411 2.786 50 0 EFAARN O=S(=O)(NC[C@@H](c1ccco1)c1cccs1)c1cccnc1 ZINC000585146709 479300070 /nfs/dbraw/zinc/30/00/70/479300070.db2.gz FUORWWOJGMQHHI-ZDUSSCGKSA-N 0 0 334.422 2.847 50 0 EFAARN COc1ccccc1NC(=O)NCCn1cc(-c2cccnc2)cn1 ZINC000585148374 479300843 /nfs/dbraw/zinc/30/08/43/479300843.db2.gz KQEVINKEPGHOEF-UHFFFAOYSA-N 0 0 337.383 2.775 50 0 EFAARN Cc1cc(NC(=O)[C@H](C)n2nc(C3CC3)ccc2=O)c2ccccc2n1 ZINC000585149936 479300923 /nfs/dbraw/zinc/30/09/23/479300923.db2.gz DEUFBJRMUUEQCO-ZDUSSCGKSA-N 0 0 348.406 2.599 50 0 EFAARN COc1cccc2cc(C(=O)N3CC(n4cc(C5CC5)nn4)C3)oc21 ZINC000585149136 479301116 /nfs/dbraw/zinc/30/11/16/479301116.db2.gz BHCMCYIKZPDCCN-UHFFFAOYSA-N 0 0 338.367 2.607 50 0 EFAARN O=C(NCc1nccnc1-c1ccncc1)c1c(F)cccc1F 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ZINC000055451208 214324576 /nfs/dbraw/zinc/32/45/76/214324576.db2.gz ILJQLIFJDRLJHN-UHFFFAOYSA-N 0 0 348.443 2.998 50 0 EFAARN Cc1ccccc1Nc1nc(C(=O)N2CCC(C(N)=O)CC2)cs1 ZINC000004687886 210248044 /nfs/dbraw/zinc/24/80/44/210248044.db2.gz LUXNDVPPOIVLDG-UHFFFAOYSA-N 0 0 344.440 2.533 50 0 EFAARN CCC(CC)n1ncc(C)c1NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000055393207 214317491 /nfs/dbraw/zinc/31/74/91/214317491.db2.gz NRYAZOICYXJANS-UHFFFAOYSA-N 0 0 341.419 2.859 50 0 EFAARN CC(=O)c1cc(CC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cs1 ZINC000097775690 219056779 /nfs/dbraw/zinc/05/67/79/219056779.db2.gz XWBLWAZXMBJZJK-OAHLLOKOSA-N 0 0 333.457 2.921 50 0 EFAARN Cc1cc(NC(=O)[C@@H](C)n2cncn2)ccc1NC(=O)C(C)(C)C ZINC000055575446 214330767 /nfs/dbraw/zinc/33/07/67/214330767.db2.gz ZYWIVRPUFOLWBK-GFCCVEGCSA-N 0 0 329.404 2.771 50 0 EFAARN Cc1cccc(=O)n1CCC(=O)N1CCc2ccc(F)cc2[C@@H]1C ZINC000097775879 219057082 /nfs/dbraw/zinc/05/70/82/219057082.db2.gz XRWJOTPICJRURB-AWEZNQCLSA-N 0 0 328.387 2.832 50 0 EFAARN CCc1cc(-c2ccc(OC)cc2OC)nc(N2CCOCC2)n1 ZINC000097785586 219057580 /nfs/dbraw/zinc/05/75/80/219057580.db2.gz DHBPOBMCKVILJX-UHFFFAOYSA-N 0 0 329.400 2.560 50 0 EFAARN CCc1nccc(CN2CCN(c3nsc4ccccc43)CC2)n1 ZINC000097797759 219057674 /nfs/dbraw/zinc/05/76/74/219057674.db2.gz WBGHBXNVYRSFGK-UHFFFAOYSA-N 0 0 339.468 2.971 50 0 EFAARN C[C@@H](NC(=O)c1cnc(-c2ccncc2)nc1)c1nc2ccccc2[nH]1 ZINC000097797656 219057713 /nfs/dbraw/zinc/05/77/13/219057713.db2.gz LOMGTSHBRFAGFN-GFCCVEGCSA-N 0 0 344.378 2.906 50 0 EFAARN CNc1cc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)ccn1 ZINC000097805688 219057979 /nfs/dbraw/zinc/05/79/79/219057979.db2.gz YFZZAODCVCCWJY-UHFFFAOYSA-N 0 0 331.379 2.736 50 0 EFAARN CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cc(-c3ccncc3)n[nH]1)C2 ZINC000097823280 219058366 /nfs/dbraw/zinc/05/83/66/219058366.db2.gz YXEIGGLEBBIGTD-UHFFFAOYSA-N 0 0 348.410 2.715 50 0 EFAARN Cc1[nH]c(=O)c(C(=O)NCCSC(F)(F)F)c(C)c1Cl ZINC000097823288 219058494 /nfs/dbraw/zinc/05/84/94/219058494.db2.gz OYDHGQWNFRWGGO-UHFFFAOYSA-N 0 0 328.743 2.628 50 0 EFAARN C[C@H](CC(=O)NCc1cccc(Br)c1)CC(=O)N(C)C ZINC000004682643 210246734 /nfs/dbraw/zinc/24/67/34/210246734.db2.gz MBTVCNSMUCFYBF-LLVKDONJSA-N 0 0 341.249 2.570 50 0 EFAARN c1nc(N2CCOCC2)sc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000097813682 219058968 /nfs/dbraw/zinc/05/89/68/219058968.db2.gz HBPKCSQWQCDGFM-QGZVFWFLSA-N 0 0 345.468 2.553 50 0 EFAARN C[C@@H]1CCCCN1S(=O)(=O)N1CCC(Oc2ccccc2)CC1 ZINC000057023294 214401726 /nfs/dbraw/zinc/40/17/26/214401726.db2.gz KOHJPAZJKFEQQT-OAHLLOKOSA-N 0 0 338.473 2.649 50 0 EFAARN Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccsc1 ZINC000056906362 214394260 /nfs/dbraw/zinc/39/42/60/214394260.db2.gz CDDDRCKEHCUACM-LBPRGKRZSA-N 0 0 331.846 2.722 50 0 EFAARN COc1ccccc1OCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000056924064 214395496 /nfs/dbraw/zinc/39/54/96/214395496.db2.gz AAMVDABUIBQXSM-UHFFFAOYSA-N 0 0 337.379 2.576 50 0 EFAARN CCn1cc(CNC(=O)CCn2ncc3c2cccc3Cl)cn1 ZINC000057279354 214414393 /nfs/dbraw/zinc/41/43/93/214414393.db2.gz DPSMUPDJOZUINK-UHFFFAOYSA-N 0 0 331.807 2.613 50 0 EFAARN CCCCn1c(SCC(=O)NC(C)C)nc2ccsc2c1=O ZINC000057426406 214428341 /nfs/dbraw/zinc/42/83/41/214428341.db2.gz REOBYORCCNNIRA-UHFFFAOYSA-N 0 0 339.486 2.875 50 0 EFAARN COc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2C)c1OC ZINC000057471765 214430083 /nfs/dbraw/zinc/43/00/83/214430083.db2.gz YYFVNMQNOVAIEA-UHFFFAOYSA-N 0 0 347.342 2.947 50 0 EFAARN CN(C)[C@@H](c1nnnn1C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000004476625 282182020 /nfs/dbraw/zinc/18/20/20/282182020.db2.gz HMZKTKHEPSLMJB-MRXNPFEDSA-N 0 0 329.404 2.558 50 0 EFAARN COc1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000004664428 210241870 /nfs/dbraw/zinc/24/18/70/210241870.db2.gz XPXXXMRRTDMLOJ-LFIBNONCSA-N 0 0 349.415 2.683 50 0 EFAARN CCCc1nccn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000004649692 210236689 /nfs/dbraw/zinc/23/66/89/210236689.db2.gz VCKGDVOOUWKQKX-UHFFFAOYSA-N 0 0 344.820 2.743 50 0 EFAARN CC1(C(=O)NCCOc2ccccc2)COC(c2ccccc2)OC1 ZINC000004649511 210236289 /nfs/dbraw/zinc/23/62/89/210236289.db2.gz VZMJFZDJBINXSN-UHFFFAOYSA-N 0 0 341.407 2.934 50 0 EFAARN CC(=O)NCCCCCC(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000004616847 210232434 /nfs/dbraw/zinc/23/24/34/210232434.db2.gz IRPWHVKGVCYFJZ-UHFFFAOYSA-N 0 0 325.792 2.762 50 0 EFAARN COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccccc3)oc21 ZINC000004614608 210232488 /nfs/dbraw/zinc/23/24/88/210232488.db2.gz PWOHLZWJVQXSON-VZCXRCSSSA-N 0 0 336.347 2.950 50 0 EFAARN COCc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000098050816 219073329 /nfs/dbraw/zinc/07/33/29/219073329.db2.gz VRBVGBGLNJZKTC-CYBMUJFWSA-N 0 0 332.375 2.821 50 0 EFAARN CC(C)OCCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000004602885 210230486 /nfs/dbraw/zinc/23/04/86/210230486.db2.gz MQUMROWKECNDED-ARFHVFGLSA-N 0 0 326.481 2.639 50 0 EFAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000059740463 214622592 /nfs/dbraw/zinc/62/25/92/214622592.db2.gz MZGWTENDADUDED-AWEZNQCLSA-N 0 0 345.443 2.868 50 0 EFAARN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000059740216 214622696 /nfs/dbraw/zinc/62/26/96/214622696.db2.gz ZHCHGLUBULKTCY-HNNXBMFYSA-N 0 0 332.444 2.596 50 0 EFAARN O=C(Cn1nc(-c2ccco2)ccc1=O)NCCC1=CCCCC1 ZINC000049547597 214017690 /nfs/dbraw/zinc/01/76/90/214017690.db2.gz WOADPJTZCXKHFS-UHFFFAOYSA-N 0 0 327.384 2.510 50 0 EFAARN Clc1ccc(Cc2nnc3sc(Cn4cccn4)nn23)cc1 ZINC000049549516 214017534 /nfs/dbraw/zinc/01/75/34/214017534.db2.gz PRZZURFFGKNBOD-UHFFFAOYSA-N 0 0 330.804 2.675 50 0 EFAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)c(F)cc1Cl ZINC000098073267 219078417 /nfs/dbraw/zinc/07/84/17/219078417.db2.gz SDOUNBLRGYQBLG-UHFFFAOYSA-N 0 0 346.742 2.518 50 0 EFAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(OCC(N)=O)cc1 ZINC000049544606 214016864 /nfs/dbraw/zinc/01/68/64/214016864.db2.gz SJBJUODPISMESM-ZDUSSCGKSA-N 0 0 342.399 2.626 50 0 EFAARN CSc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1 ZINC000049545068 214016419 /nfs/dbraw/zinc/01/64/19/214016419.db2.gz BJWCYNLJQBKBRR-UHFFFAOYSA-N 0 0 343.452 2.691 50 0 EFAARN CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)nc1 ZINC000060506238 214640580 /nfs/dbraw/zinc/64/05/80/214640580.db2.gz XCYCDUBUFRDVMY-UHFFFAOYSA-N 0 0 332.787 2.941 50 0 EFAARN O=C(COC(=O)Cc1ccc(F)cc1)NCCCc1ccccc1 ZINC000060648930 214645611 /nfs/dbraw/zinc/64/56/11/214645611.db2.gz SGGTZRJTMHSICG-UHFFFAOYSA-N 0 0 329.371 2.660 50 0 EFAARN O=C(CN1CCCC1)Nc1ccc(-n2cnc(Cl)c2Cl)nc1 ZINC000061718698 214673882 /nfs/dbraw/zinc/67/38/82/214673882.db2.gz AROWFKVMZVPSDH-UHFFFAOYSA-N 0 0 340.214 2.608 50 0 EFAARN CN1C(=O)C[C@H](C(=O)Nc2ccccn2)[C@H]1c1ccc(Cl)cc1 ZINC000061718079 214674231 /nfs/dbraw/zinc/67/42/31/214674231.db2.gz PCJSRCKPOYEUBH-XJKSGUPXSA-N 0 0 329.787 2.893 50 0 EFAARN Fc1c(Cl)cccc1-c1nnc2sc(Cn3cccn3)nn21 ZINC000061720922 214675077 /nfs/dbraw/zinc/67/50/77/214675077.db2.gz DRHFFRNZACXCLP-UHFFFAOYSA-N 0 0 334.767 2.890 50 0 EFAARN CNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)/C=C/c1ccccc1 ZINC000004545249 210219639 /nfs/dbraw/zinc/21/96/39/210219639.db2.gz DUGDUTJLQHFUJT-BHTJOUODSA-N 0 0 336.391 2.612 50 0 EFAARN COc1cc(OC)c2c(C)c(CC(=O)N3CCCCC3)c(=O)oc2c1 ZINC000004540640 210216716 /nfs/dbraw/zinc/21/67/16/210216716.db2.gz BHZRHAWZHOCNLN-UHFFFAOYSA-N 0 0 345.395 2.674 50 0 biogenic EFAARN Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000098211984 219087418 /nfs/dbraw/zinc/08/74/18/219087418.db2.gz SHCPTYABHUCRGD-AWEZNQCLSA-N 0 0 338.411 2.777 50 0 EFAARN Cc1noc(C)c1CN1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000098211967 219087624 /nfs/dbraw/zinc/08/76/24/219087624.db2.gz SUDGONUQCZMNFR-QGZVFWFLSA-N 0 0 339.439 2.714 50 0 EFAARN CCCOc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12 ZINC000004538658 210216195 /nfs/dbraw/zinc/21/61/95/210216195.db2.gz AAZHIENEOPINBT-UHFFFAOYSA-N 0 0 335.425 2.650 50 0 EFAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C(F)(F)F)ccc1F ZINC000004529695 210215172 /nfs/dbraw/zinc/21/51/72/210215172.db2.gz VVMSXAMGOYDOGF-NSHDSACASA-N 0 0 332.253 2.645 50 0 EFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(Cl)c1 ZINC000100099546 219090491 /nfs/dbraw/zinc/09/04/91/219090491.db2.gz ZCHKIKDVZGZQFH-OKILXGFUSA-N 0 0 332.787 2.620 50 0 EFAARN O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000004525884 210213294 /nfs/dbraw/zinc/21/32/94/210213294.db2.gz WGCGYFMYHFQSKG-UHFFFAOYSA-N 0 0 335.469 2.950 50 0 EFAARN COCCCN1C(=O)c2ccc(C(=O)Oc3ccccc3)cc2C1=O ZINC000004524251 210213404 /nfs/dbraw/zinc/21/34/04/210213404.db2.gz BWWHGKFOBYUFQR-UHFFFAOYSA-N 0 0 339.347 2.538 50 0 EFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)cc1 ZINC000100099550 219090863 /nfs/dbraw/zinc/09/08/63/219090863.db2.gz FHDWFKMNQCORDY-OKILXGFUSA-N 0 0 332.787 2.620 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)cc1 ZINC000004519869 210212402 /nfs/dbraw/zinc/21/24/02/210212402.db2.gz DHSQWXVDPLFNPV-HNNXBMFYSA-N 0 0 335.359 2.988 50 0 EFAARN COc1ccc(NC(=O)c2ccco2)c(NC(=O)[C@H]2CCCO2)c1 ZINC000004520021 210212029 /nfs/dbraw/zinc/21/20/29/210212029.db2.gz RURZLHFVHQGXEN-OAHLLOKOSA-N 0 0 330.340 2.658 50 0 EFAARN Cc1nnc(S[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)s1 ZINC000100113058 219091722 /nfs/dbraw/zinc/09/17/22/219091722.db2.gz BLBSPQZVWVYYQE-LBPRGKRZSA-N 0 0 333.438 2.888 50 0 EFAARN Cc1cccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)n3)C2=O)c1 ZINC000100115939 219091783 /nfs/dbraw/zinc/09/17/83/219091783.db2.gz QCEZRVOZFVYGFK-AWEZNQCLSA-N 0 0 327.409 2.826 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000004517930 210211092 /nfs/dbraw/zinc/21/10/92/210211092.db2.gz UKYTVVMDPREQLZ-UHFFFAOYSA-N 0 0 347.392 2.519 50 0 EFAARN c1coc(-c2nnc3sc([C@H]4COc5ccccc5O4)nn32)c1 ZINC000004511822 210210253 /nfs/dbraw/zinc/21/02/53/210210253.db2.gz ITNIWKSQYYBEAH-GFCCVEGCSA-N 0 0 326.337 2.958 50 0 EFAARN CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 ZINC000004512349 210210172 /nfs/dbraw/zinc/21/01/72/210210172.db2.gz WRZSSQLATVRJEE-UHFFFAOYSA-N 0 0 331.324 2.642 50 0 EFAARN O=C(CCn1c(=O)sc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000004511496 210209368 /nfs/dbraw/zinc/20/93/68/210209368.db2.gz LPDIJRZVAGKXGE-UHFFFAOYSA-N 0 0 342.376 2.821 50 0 EFAARN CCc1nnc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000004511648 210208633 /nfs/dbraw/zinc/20/86/33/210208633.db2.gz PSZCOBRKXJUNIN-UHFFFAOYSA-N 0 0 348.819 2.895 50 0 EFAARN Cc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000100218396 219095225 /nfs/dbraw/zinc/09/52/25/219095225.db2.gz GUFXBJZPAYFDRL-VGOFMYFVSA-N 0 0 337.310 2.881 50 0 EFAARN Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)N(c1ccccc1)C(C)C ZINC000004503925 210206495 /nfs/dbraw/zinc/20/64/95/210206495.db2.gz JWQVTGKEOVKODL-UHFFFAOYSA-N 0 0 336.391 2.966 50 0 EFAARN COc1cc(CSc2nc3cc(C)ccn3c(=O)n2)cc(OC)c1 ZINC000004503939 210206391 /nfs/dbraw/zinc/20/63/91/210206391.db2.gz ZWEVBOQWGIVFGT-UHFFFAOYSA-N 0 0 343.408 2.707 50 0 EFAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1 ZINC000004496238 210203428 /nfs/dbraw/zinc/20/34/28/210203428.db2.gz SNMIVBYDOSLZMR-UHFFFAOYSA-N 0 0 330.818 2.599 50 0 EFAARN Cc1ccc(SCC(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 ZINC000004496472 210203435 /nfs/dbraw/zinc/20/34/35/210203435.db2.gz MLVVQSRLXQDEHP-UHFFFAOYSA-N 0 0 340.404 2.952 50 0 EFAARN O=C(Cc1ccc(Cl)cc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000004496922 210203539 /nfs/dbraw/zinc/20/35/39/210203539.db2.gz VRHSMAGDWQPRBD-OAHLLOKOSA-N 0 0 328.799 2.804 50 0 EFAARN O=c1c2ccccc2c(=N/Nc2ccccc2)/c1=N\Nc1ccccc1 ZINC000100444673 219099420 /nfs/dbraw/zinc/09/94/20/219099420.db2.gz AGNWGNAMWVNYNT-BJSLBONGSA-N 0 0 340.386 2.931 50 0 EFAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1 ZINC000004488131 210201821 /nfs/dbraw/zinc/20/18/21/210201821.db2.gz OZZRFDZYUKIOIF-UHFFFAOYSA-N 0 0 342.380 2.871 50 0 EFAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1C[C@H]1Cc2ccccc2CO1 ZINC000100462556 219099583 /nfs/dbraw/zinc/09/95/83/219099583.db2.gz AWCKGOAGXDNJHN-OAGGEKHMSA-N 0 0 331.799 2.646 50 0 EFAARN CCOc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1 ZINC000004488167 210200800 /nfs/dbraw/zinc/20/08/00/210200800.db2.gz HVAKDWYCSKVAQP-UHFFFAOYSA-N 0 0 341.367 2.977 50 0 EFAARN O=C(Cn1cnc2c(c1=O)CCCC2)Nc1ccc(F)c(Cl)c1 ZINC000049404565 214006269 /nfs/dbraw/zinc/00/62/69/214006269.db2.gz GJVSKWPJSSDXJY-UHFFFAOYSA-N 0 0 335.766 2.553 50 0 EFAARN COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(F)c3)CC2=O)cc1 ZINC000004479597 210197703 /nfs/dbraw/zinc/19/77/03/210197703.db2.gz KYIZLJZOHOHICS-AWEZNQCLSA-N 0 0 343.358 2.761 50 0 EFAARN COc1ccc(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1OC ZINC000100626669 219102463 /nfs/dbraw/zinc/10/24/63/219102463.db2.gz ITMOHMQHLVWEJK-INIZCTEOSA-N 0 0 339.391 2.822 50 0 EFAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1 ZINC000004475738 210196237 /nfs/dbraw/zinc/19/62/37/210196237.db2.gz IWWDXEUDLRDUKP-LBPRGKRZSA-N 0 0 328.343 2.826 50 0 EFAARN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004473068 210196251 /nfs/dbraw/zinc/19/62/51/210196251.db2.gz GUDKTWQGSYUHEI-UHFFFAOYSA-N 0 0 330.196 2.926 50 0 EFAARN CN(C(=O)Nc1cccc2ccccc21)[C@]1(C)CCS(=O)(=O)C1 ZINC000004454864 210193967 /nfs/dbraw/zinc/19/39/67/210193967.db2.gz OFKAAWJRQYYPGT-QGZVFWFLSA-N 0 0 332.425 2.881 50 0 EFAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O ZINC000004457208 210193789 /nfs/dbraw/zinc/19/37/89/210193789.db2.gz MYQHOKPWVNXYSG-CEITULEQSA-N 0 0 344.392 2.776 50 0 EFAARN CCCC1=Nc2ncnn2[C@@H](c2cccc(O)c2)C1C(=O)OCC ZINC000004436404 210192499 /nfs/dbraw/zinc/19/24/99/210192499.db2.gz OVTZUSPRSDEKFG-HNNXBMFYSA-N 0 0 328.372 2.616 50 0 EFAARN COc1cc(Cl)cc2cc(C(=O)NCc3cccnc3)c(=O)oc21 ZINC000004418030 210190665 /nfs/dbraw/zinc/19/06/65/210190665.db2.gz BYNAPUYLNZZDGC-UHFFFAOYSA-N 0 0 344.754 2.780 50 0 EFAARN COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1cccs1 ZINC000100821678 219108160 /nfs/dbraw/zinc/10/81/60/219108160.db2.gz MCTHCLVBRUGUHV-JTQLQIEISA-N 0 0 349.437 2.558 50 0 EFAARN CCC(=O)Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1 ZINC000004412372 210188987 /nfs/dbraw/zinc/18/89/87/210188987.db2.gz ZUKQBMZLWMOQHH-UHFFFAOYSA-N 0 0 333.355 2.765 50 0 EFAARN OCCCc1nc2n(n1)[C@@H](c1ccco1)CC(c1ccc(F)cc1)=N2 ZINC000100869048 219109914 /nfs/dbraw/zinc/10/99/14/219109914.db2.gz FBYIEWIADRPGAL-OAHLLOKOSA-N 0 0 340.358 2.991 50 0 EFAARN COc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000004385114 210184913 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/nfs/dbraw/zinc/10/59/30/210105930.db2.gz VHCFMJGWISXLHW-SFHVURJKSA-N 0 0 339.439 2.844 50 0 biogenic EFAARN O=C(NCCCn1ccnc1)c1ccc(OCC(F)(F)F)cc1 ZINC000004025297 210101988 /nfs/dbraw/zinc/10/19/88/210101988.db2.gz XYMIPOQVXFPVIU-UHFFFAOYSA-N 0 0 327.306 2.644 50 0 EFAARN COc1ccc(C(=O)C[C@H](O)Cc2cc3c(c(OC)c2)OCO3)cc1 ZINC000066091383 215009037 /nfs/dbraw/zinc/00/90/37/215009037.db2.gz FQIBSYHCSPJXKB-CQSZACIVSA-N 0 0 344.363 2.609 50 0 EFAARN COc1ccc(C(=O)OCc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000003984969 210096934 /nfs/dbraw/zinc/09/69/34/210096934.db2.gz WNSCYVOIFYYHDO-UHFFFAOYSA-N 0 0 339.347 2.902 50 0 biogenic EFAARN COc1ccccc1C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O ZINC000003911719 210092351 /nfs/dbraw/zinc/09/23/51/210092351.db2.gz IJYQWUNWNXPPPI-UHFFFAOYSA-N 0 0 336.391 2.818 50 0 EFAARN COc1ccc2cc(CCNC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000003911772 210093109 /nfs/dbraw/zinc/09/31/09/210093109.db2.gz WVDVWWBMKJGQEY-UHFFFAOYSA-N 0 0 340.354 2.648 50 0 EFAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc2c(cccc2C)[nH]1 ZINC000003904442 210088497 /nfs/dbraw/zinc/08/84/97/210088497.db2.gz SAGQNBCCWLDCRT-CYBMUJFWSA-N 0 0 349.456 2.667 50 0 EFAARN C[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCOC1)O2 ZINC000003881353 210084038 /nfs/dbraw/zinc/08/40/38/210084038.db2.gz UMRJYIFXXDLEKW-IPOQXWOTSA-N 0 0 338.488 2.900 50 0 biogenic EFAARN CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000003844192 210078973 /nfs/dbraw/zinc/07/89/73/210078973.db2.gz JIVAERJCLFTJMG-INIZCTEOSA-N 0 0 346.383 2.777 50 0 EFAARN O=c1/c(=C/c2cccc(Cl)c2)sc2nc(-c3ccco3)nn12 ZINC000003649412 210072443 /nfs/dbraw/zinc/07/24/43/210072443.db2.gz NSANODAAYNDZJD-WQLSENKSSA-N 0 0 329.768 2.612 50 0 EFAARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2OC)c1 ZINC000003619285 210066910 /nfs/dbraw/zinc/06/69/10/210066910.db2.gz MDDAZPCWNDRQBH-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)CCC2 ZINC000102432009 219203108 /nfs/dbraw/zinc/20/31/08/219203108.db2.gz NRXQGMPMFHPHKP-IAGOWNOFSA-N 0 0 340.423 2.679 50 0 EFAARN COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000003567234 210057799 /nfs/dbraw/zinc/05/77/99/210057799.db2.gz BQSQFRZIWGTKIQ-UHFFFAOYSA-N 0 0 348.424 2.506 50 0 EFAARN CCc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)[nH]n1 ZINC000102538507 219209092 /nfs/dbraw/zinc/20/90/92/219209092.db2.gz RYHSBFBHNVSFKZ-KRWDZBQOSA-N 0 0 343.427 2.672 50 0 EFAARN CC(C)Cc1noc([C@@H](C)NC(=O)Nc2cc(C3CC3)nn2C)n1 ZINC000102544539 219208639 /nfs/dbraw/zinc/20/86/39/219208639.db2.gz YMBPSEYJLKHKOA-SNVBAGLBSA-N 0 0 332.408 2.762 50 0 EFAARN COc1ccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000003402463 210028450 /nfs/dbraw/zinc/02/84/50/210028450.db2.gz PLFMGAYURNSFMJ-UHFFFAOYSA-N 0 0 347.798 2.751 50 0 EFAARN CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 ZINC000003400393 210027758 /nfs/dbraw/zinc/02/77/58/210027758.db2.gz QPKJMROGLFZIBN-UHFFFAOYSA-N 0 0 340.379 2.751 50 0 EFAARN CN(C)c1cccc(C(=O)OCC(=O)NCCC2=CCCCC2)c1 ZINC000003399954 210027949 /nfs/dbraw/zinc/02/79/49/210027949.db2.gz TWZNMBZUVJVKEV-UHFFFAOYSA-N 0 0 330.428 2.916 50 0 EFAARN O=C(COC(=O)COc1ccccc1)NCc1ccccc1Cl ZINC000003388769 210024802 /nfs/dbraw/zinc/02/48/02/210024802.db2.gz QYFWPFYWUMLLLB-UHFFFAOYSA-N 0 0 333.771 2.578 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000003392532 210026838 /nfs/dbraw/zinc/02/68/38/210026838.db2.gz NLTYYUXIGAXXBZ-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN COc1cccc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000003398121 210026693 /nfs/dbraw/zinc/02/66/93/210026693.db2.gz OLACHEOEPUJPTG-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN CCOc1ccccc1NC(=O)COC(=O)c1cccnc1Cl ZINC000003397153 210026319 /nfs/dbraw/zinc/02/63/19/210026319.db2.gz OGFRRJFNBPDYRA-UHFFFAOYSA-N 0 0 334.759 2.929 50 0 EFAARN CN(C)c1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 ZINC000003397135 210026246 /nfs/dbraw/zinc/02/62/46/210026246.db2.gz QHXSEODGOIRKDM-UHFFFAOYSA-N 0 0 333.775 2.597 50 0 EFAARN COc1cccc(NC(=O)COC(=O)c2cccc(OC)c2OC)c1 ZINC000003385325 210024096 /nfs/dbraw/zinc/02/40/96/210024096.db2.gz YYZYEGNRHRETCB-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN Cn1c(=O)cc2c3c1ccc(N1CCOCC1)c3C(=O)c1ccccc1-2 ZINC000000033449 282562117 /nfs/dbraw/zinc/56/21/17/282562117.db2.gz REMKVOWNYFATFL-UHFFFAOYSA-N 0 0 346.386 2.587 50 0 biogenic EFAARN Cc1ccc(C)c(OCCN(C)C(=O)CC2=CSC3=NCCN23)c1 ZINC000102784070 219230968 /nfs/dbraw/zinc/23/09/68/219230968.db2.gz FGCJQOXGPLOGPZ-UHFFFAOYSA-N 0 0 345.468 2.791 50 0 EFAARN CCOc1ccccc1CNC(=O)c1cn(-c2cccc(F)c2)nn1 ZINC000044167908 213611282 /nfs/dbraw/zinc/61/12/82/213611282.db2.gz REKRGYXRQJPXFJ-UHFFFAOYSA-N 0 0 340.358 2.735 50 0 EFAARN COC(=O)N1CCC(CNC(=O)Nc2ccccc2Cl)CC1 ZINC000043982867 213604700 /nfs/dbraw/zinc/60/47/00/213604700.db2.gz UWRWCTBKRDXEOV-UHFFFAOYSA-N 0 0 325.796 2.940 50 0 EFAARN COc1cc(=O)c(C(=O)N2CCCC[C@H]2C)nn1-c1ccc(C)cc1 ZINC000067245757 215127430 /nfs/dbraw/zinc/12/74/30/215127430.db2.gz YJOXHOOCGKCQRJ-CQSZACIVSA-N 0 0 341.411 2.564 50 0 EFAARN CCc1ccc(-n2cc(C(=O)NCc3cccc(OC)c3)nn2)cc1 ZINC000067262066 215128754 /nfs/dbraw/zinc/12/87/54/215128754.db2.gz LJXMMFOZORJOLT-UHFFFAOYSA-N 0 0 336.395 2.768 50 0 EFAARN Cc1cc(-n2cc(C(=O)NCCc3cccs3)nn2)ccc1F ZINC000067262021 215128922 /nfs/dbraw/zinc/12/89/22/215128922.db2.gz RXQCJPZJZNHLEB-UHFFFAOYSA-N 0 0 330.388 2.749 50 0 EFAARN Cc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1C ZINC000067197504 215122657 /nfs/dbraw/zinc/12/26/57/215122657.db2.gz CPIFONNFIVUZOA-UHFFFAOYSA-N 0 0 341.363 2.505 50 0 EFAARN COc1ccc(C(=O)OCC(=O)NCc2ccccc2F)c(C)c1 ZINC000067198080 215123096 /nfs/dbraw/zinc/12/30/96/215123096.db2.gz TZVYYMPAPXICMB-UHFFFAOYSA-N 0 0 331.343 2.616 50 0 EFAARN O=C(C1CC1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067206009 215123416 /nfs/dbraw/zinc/12/34/16/215123416.db2.gz YDHRGPWRZGKELG-UHFFFAOYSA-N 0 0 341.367 2.581 50 0 EFAARN CCOc1cc(=O)n2c(c1C(=O)NCc1ccc(C)cc1)CCCC2 ZINC000067350369 215136340 /nfs/dbraw/zinc/13/63/40/215136340.db2.gz LGQZJGVWVFAALW-UHFFFAOYSA-N 0 0 340.423 2.822 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1 ZINC000003262233 209992830 /nfs/dbraw/zinc/99/28/30/209992830.db2.gz PJTQITSBXBDKIZ-UHFFFAOYSA-N 0 0 326.352 2.749 50 0 EFAARN O=C(NCc1cccs1)c1sccc1NC(=O)c1cnccn1 ZINC000067335576 215134966 /nfs/dbraw/zinc/13/49/66/215134966.db2.gz SDMMCJGLBXYXNB-UHFFFAOYSA-N 0 0 344.421 2.782 50 0 EFAARN COc1cccc(CNC(=O)N2CCCC[C@@H]2c2nc(C)no2)c1 ZINC000067350570 215135684 /nfs/dbraw/zinc/13/56/84/215135684.db2.gz BRWJHFUEQFDBFA-OAHLLOKOSA-N 0 0 330.388 2.823 50 0 EFAARN COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(F)c(OC)c1F ZINC000067446942 215146566 /nfs/dbraw/zinc/14/65/66/215146566.db2.gz GKIZSWKVDWJXQR-AWEZNQCLSA-N 0 0 336.338 2.828 50 0 EFAARN CNC(=O)c1ccc(Cn2ccnc2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000067458874 215147998 /nfs/dbraw/zinc/14/79/98/215147998.db2.gz ABZISFAOEQTAPR-MRXNPFEDSA-N 0 0 327.428 2.964 50 0 EFAARN CC(=O)Nc1ccc(-c2cn(Cc3cnc4ccccn34)nn2)cc1 ZINC000067459541 215149364 /nfs/dbraw/zinc/14/93/64/215149364.db2.gz JDWXESRBYZHTGS-UHFFFAOYSA-N 0 0 332.367 2.600 50 0 EFAARN O=C(COC(=O)c1ccc(Br)cc1)NCc1ccccc1 ZINC000003239732 209985086 /nfs/dbraw/zinc/98/50/86/209985086.db2.gz NRELJYGYIOIEDL-UHFFFAOYSA-N 0 0 348.196 2.922 50 0 EFAARN CN1CCC[C@@]2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1=O ZINC000067514757 215157617 /nfs/dbraw/zinc/15/76/17/215157617.db2.gz ZBCIKAZQXUZTCP-FQEVSTJZSA-N 0 0 337.423 2.766 50 0 EFAARN CCCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+](C)Cc1csc(C)n1)C2 ZINC000067473449 215151677 /nfs/dbraw/zinc/15/16/77/215151677.db2.gz UEYLFBSQSIWAFB-ZDUSSCGKSA-N 0 0 348.472 2.746 50 0 EFAARN CC(C)Cc1cc(CNC(=O)c2cc3ccccc3oc2=O)no1 ZINC000067491290 215154208 /nfs/dbraw/zinc/15/42/08/215154208.db2.gz JMTOAZFDXDYRBA-UHFFFAOYSA-N 0 0 326.352 2.910 50 0 EFAARN CCCN(C[C@H]1CCCO1)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000067588503 215165490 /nfs/dbraw/zinc/16/54/90/215165490.db2.gz IGTZCRMCDTVREZ-CYBMUJFWSA-N 0 0 332.375 2.698 50 0 EFAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)nc2)C1 ZINC000067541230 215159395 /nfs/dbraw/zinc/15/93/95/215159395.db2.gz UYCYFFOUBPKJDI-OAHLLOKOSA-N 0 0 340.427 2.939 50 0 EFAARN CC[C@@H]1NC(=O)NC(C)=C1C(=O)NCc1ccc2sccc2c1 ZINC000067540478 215160034 /nfs/dbraw/zinc/16/00/34/215160034.db2.gz YMPMBMBPGSTKTD-ZDUSSCGKSA-N 0 0 329.425 2.883 50 0 EFAARN CC[C@@H](CO)NC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000067540719 215160158 /nfs/dbraw/zinc/16/01/58/215160158.db2.gz VEWYJACIJFVAHU-JTQLQIEISA-N 0 0 342.754 2.547 50 0 EFAARN CCc1ocnc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000067561268 215161898 /nfs/dbraw/zinc/16/18/98/215161898.db2.gz HQBGXLODLYGFAB-UHFFFAOYSA-N 0 0 340.358 2.777 50 0 EFAARN CNc1cc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)ccn1 ZINC000067558987 215161970 /nfs/dbraw/zinc/16/19/70/215161970.db2.gz LIAMOXUSPZBAGC-SFHVURJKSA-N 0 0 339.439 2.579 50 0 EFAARN COC(=O)c1nn(Cc2nc(-c3ccco3)oc2C)c2c1CCC2 ZINC000067605882 215169696 /nfs/dbraw/zinc/16/96/96/215169696.db2.gz UKBDFBVUHFLXPM-UHFFFAOYSA-N 0 0 327.340 2.763 50 0 EFAARN CCc1ccc(OCC(=O)NCCOc2ccccc2OC)cc1 ZINC000003127150 209968008 /nfs/dbraw/zinc/96/80/08/209968008.db2.gz JENFKGDBNVJTHF-UHFFFAOYSA-N 0 0 329.396 2.832 50 0 EFAARN CCC[C@H](C)NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000067601854 215166197 /nfs/dbraw/zinc/16/61/97/215166197.db2.gz BQHOPRPHQYQGLQ-JTQLQIEISA-N 0 0 332.853 2.654 50 0 EFAARN O=C(CON1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1 ZINC000003118782 209966685 /nfs/dbraw/zinc/96/66/85/209966685.db2.gz DOZYNHHGEWOJMV-UHFFFAOYSA-N 0 0 330.727 2.506 50 0 EFAARN CN(C)C(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(F)cc2)c1 ZINC000067604078 215167215 /nfs/dbraw/zinc/16/72/15/215167215.db2.gz GBOGPMZFUJSVFW-UHFFFAOYSA-N 0 0 329.375 2.846 50 0 EFAARN CCC1=NO[C@H](C(=O)NCc2cccnc2Oc2ccc(C)nc2)C1 ZINC000067604627 215167890 /nfs/dbraw/zinc/16/78/90/215167890.db2.gz HQBPMCBCNDUIEI-INIZCTEOSA-N 0 0 340.383 2.748 50 0 EFAARN CCN(c1ccc(C(=O)N2CCC(C)CC2)cc1)S(=O)(=O)CC ZINC000067630088 215170632 /nfs/dbraw/zinc/17/06/32/215170632.db2.gz OFDYHMLGZOEOJO-UHFFFAOYSA-N 0 0 338.473 2.735 50 0 EFAARN Cc1cccnc1[C@H](C)NC(=O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000067650145 215173361 /nfs/dbraw/zinc/17/33/61/215173361.db2.gz CSHSDBUXRXSRPR-AWEZNQCLSA-N 0 0 344.436 2.574 50 0 EFAARN COCc1ncn(Cc2nc(-c3ccc(OC)cc3F)oc2C)n1 ZINC000067654567 215176149 /nfs/dbraw/zinc/17/61/49/215176149.db2.gz QBMLYPVFUBFIAY-UHFFFAOYSA-N 0 0 332.335 2.584 50 0 EFAARN O=C(Nc1cnc2n1CCCC2)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000067673034 215177651 /nfs/dbraw/zinc/17/76/51/215177651.db2.gz SLWVSHIKKCKFDM-OAHLLOKOSA-N 0 0 344.459 2.729 50 0 EFAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)c1coc2c1C(=O)CCC2 ZINC000067674333 215179222 /nfs/dbraw/zinc/17/92/22/215179222.db2.gz USKVPCXUYUWIOG-UHFFFAOYSA-N 0 0 329.400 2.843 50 0 EFAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCS(=O)(=O)CC1 ZINC000067675434 215180699 /nfs/dbraw/zinc/18/06/99/215180699.db2.gz LSPASDKNSZPJEZ-UHFFFAOYSA-N 0 0 340.832 2.534 50 0 EFAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cccc(Cn2cccn2)c1 ZINC000067675270 215181176 /nfs/dbraw/zinc/18/11/76/215181176.db2.gz VEGUULWELORTHF-ZDUSSCGKSA-N 0 0 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O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000072473767 216251129 /nfs/dbraw/zinc/25/11/29/216251129.db2.gz FWHMAZUAYUIGRI-UHFFFAOYSA-N 0 0 332.787 2.712 50 0 EFAARN CCCc1n[nH]cc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000072474806 216251374 /nfs/dbraw/zinc/25/13/74/216251374.db2.gz JAIGNDGVFVXEJH-UHFFFAOYSA-N 0 0 325.372 2.684 50 0 EFAARN O=C(CSc1ccccc1)N[C@@H]1CC[C@H](C(=O)NC2CCC2)C1 ZINC000072462699 216245809 /nfs/dbraw/zinc/24/58/09/216245809.db2.gz RXBSQTQXGCOFQV-DZGCQCFKSA-N 0 0 332.469 2.732 50 0 EFAARN COc1ccc(-c2n[nH]cc2CN(C)Cc2nccn2C)c(F)c1 ZINC000072469724 216248454 /nfs/dbraw/zinc/24/84/54/216248454.db2.gz AEBOGVTVQJBSFJ-UHFFFAOYSA-N 0 0 329.379 2.590 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)N2CC(Oc3cccnc3)C2)c1 ZINC000072469590 216249110 /nfs/dbraw/zinc/24/91/10/216249110.db2.gz KOHDYRYDACOZDW-UHFFFAOYSA-N 0 0 340.423 2.689 50 0 EFAARN CCCCC(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072468902 216249235 /nfs/dbraw/zinc/24/92/35/216249235.db2.gz SABMEZCNDGXRQW-MRXNPFEDSA-N 0 0 346.475 2.518 50 0 EFAARN CCc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccn1 ZINC000072477074 216255077 /nfs/dbraw/zinc/25/50/77/216255077.db2.gz UYLCVSFUTWFUSS-UHFFFAOYSA-N 0 0 327.403 2.741 50 0 EFAARN CCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(COC)o3)CC[C@H]21 ZINC000072477424 216255657 /nfs/dbraw/zinc/25/56/57/216255657.db2.gz MHGQWEBAUHBAGI-GOEBONIOSA-N 0 0 348.443 2.679 50 0 EFAARN CCOc1cc(CN(C)c2ncnc3c2c(C)nn3C)ccc1OC ZINC000072474217 216251693 /nfs/dbraw/zinc/25/16/93/216251693.db2.gz JUJUTPNNHYVZKD-UHFFFAOYSA-N 0 0 341.415 2.715 50 0 EFAARN CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)CCn3cccc3)CC[C@H]21 ZINC000072479222 216258356 /nfs/dbraw/zinc/25/83/56/216258356.db2.gz RDBSPPNBVUANDZ-ZWKOTPCHSA-N 0 0 345.487 2.764 50 0 EFAARN COc1cccc2c1OCCCN(C(=O)Cc1csc(C)n1)C2 ZINC000072479501 216258654 /nfs/dbraw/zinc/25/86/54/216258654.db2.gz FPCKWZYJGXGRIC-UHFFFAOYSA-N 0 0 332.425 2.814 50 0 EFAARN Cc1cccnc1CN1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000072478854 216258690 /nfs/dbraw/zinc/25/86/90/216258690.db2.gz 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/nfs/dbraw/zinc/39/22/66/212392266.db2.gz AVSICDYEQCTPLJ-INIZCTEOSA-N 0 0 328.412 2.737 50 0 biogenic EFAARN Cn1cc(-c2ccnc(NC[C@@H]3CCN(c4ccccc4)C3)n2)cn1 ZINC000023580823 212382870 /nfs/dbraw/zinc/38/28/70/212382870.db2.gz MITIRMGBSDYUGB-HNNXBMFYSA-N 0 0 334.427 2.816 50 0 EFAARN CC1(C)C[C@@](CCNC(=O)Nc2nc[nH]n2)(c2ccccc2)CCO1 ZINC000023380439 212373109 /nfs/dbraw/zinc/37/31/09/212373109.db2.gz MNUYDSZQCNUSBH-SFHVURJKSA-N 0 0 343.431 2.843 50 0 EFAARN Cc1ccccc1CN1CCN(Cc2nccs2)C[C@@H]1CCO ZINC000023359309 212370150 /nfs/dbraw/zinc/37/01/50/212370150.db2.gz IKHFDNOPIYYDMS-KRWDZBQOSA-N 0 0 331.485 2.520 50 0 EFAARN CC(=O)N1CCN(Cc2nc(-c3cc(F)cc(F)c3)oc2C)CC1 ZINC000023338792 212369119 /nfs/dbraw/zinc/36/91/19/212369119.db2.gz CHRZVDSIJQUZOL-UHFFFAOYSA-N 0 0 335.354 2.592 50 0 EFAARN CC[C@H](C)S(=O)(=O)N1CCc2[nH]nc(-c3cc(C)oc3C)c2C1 ZINC000023312077 212368148 /nfs/dbraw/zinc/36/81/48/212368148.db2.gz WHBCLYAZUXYVLF-NSHDSACASA-N 0 0 337.445 2.773 50 0 EFAARN Cc1ccc(-c2cn(C3CCN(C(=O)[C@H]4CCCO4)CC3)nn2)cc1 ZINC000023129419 212352635 /nfs/dbraw/zinc/35/26/35/212352635.db2.gz GDBHBKOFYJIRCK-GOSISDBHSA-N 0 0 340.427 2.596 50 0 EFAARN Cc1nc(NC(=O)N2CCC[C@@H]2Cc2cccnc2)nn1C(C)C ZINC000023128515 212352022 /nfs/dbraw/zinc/35/20/22/212352022.db2.gz RSEJORZNVWTQJS-OAHLLOKOSA-N 0 0 328.420 2.801 50 0 EFAARN O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091657042 296068730 /nfs/dbraw/zinc/06/87/30/296068730.db2.gz HRAAZSSYXONMRC-QLFBSQMISA-N 0 0 337.423 2.624 50 0 EFAARN Cc1ccc(CN2CCN(Cc3ccccc3F)C[C@@H]2CCO)o1 ZINC000022926232 212335777 /nfs/dbraw/zinc/33/57/77/212335777.db2.gz DUVAKGDUBCZLIV-KRWDZBQOSA-N 0 0 332.419 2.796 50 0 EFAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)c1cccc(F)c1 ZINC000022765785 212322078 /nfs/dbraw/zinc/32/20/78/212322078.db2.gz NXIZJQPHOYQGIS-MRXNPFEDSA-N 0 0 334.416 2.691 50 0 EFAARN Cc1ccc(-c2cc(=O)n(CC(=O)c3ccc4c(c3)OCO4)cn2)cc1 ZINC000022604915 212310040 /nfs/dbraw/zinc/31/00/40/212310040.db2.gz VREZDECXZYYKSK-UHFFFAOYSA-N 0 0 348.358 2.830 50 0 EFAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCC2)nc1 ZINC000022708961 212319227 /nfs/dbraw/zinc/31/92/27/212319227.db2.gz WZQWIPSXYAQFGR-UHFFFAOYSA-N 0 0 331.441 2.897 50 0 EFAARN O=C(Cc1cccs1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000022673259 212316212 /nfs/dbraw/zinc/31/62/12/212316212.db2.gz UNSFLXDIMRITSX-UHFFFAOYSA-N 0 0 343.364 2.751 50 0 EFAARN Cn1nc(CNC(=O)c2ccc(F)cc2Cl)c2ccccc2c1=O ZINC000075148905 216585435 /nfs/dbraw/zinc/58/54/35/216585435.db2.gz QXPGVGQFSVBIBG-UHFFFAOYSA-N 0 0 345.761 2.656 50 0 EFAARN Cc1cc(-c2nnc3sc(COc4ccc(F)cc4)nn32)[nH]n1 ZINC000022501782 212302146 /nfs/dbraw/zinc/30/21/46/212302146.db2.gz RBUQOACGOIKJMM-UHFFFAOYSA-N 0 0 330.348 2.602 50 0 EFAARN O=C(Nc1cccs1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000022505627 212302152 /nfs/dbraw/zinc/30/21/52/212302152.db2.gz XUYNUACOXPDVGI-UHFFFAOYSA-N 0 0 337.426 2.932 50 0 EFAARN O=C(Nc1ccccc1)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000022505764 212301424 /nfs/dbraw/zinc/30/14/24/212301424.db2.gz KEICZZBYHBAHLV-UHFFFAOYSA-N 0 0 331.397 2.871 50 0 EFAARN C[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000022480494 212300405 /nfs/dbraw/zinc/30/04/05/212300405.db2.gz NHPKMQDZWIYWIZ-GFCCVEGCSA-N 0 0 347.342 2.517 50 0 EFAARN COc1cc(CN2CCN(c3ccccc3)CC2)cc(OC)c1O ZINC000022586436 212308075 /nfs/dbraw/zinc/30/80/75/212308075.db2.gz WTZREYVEPJUCHO-UHFFFAOYSA-N 0 0 328.412 2.732 50 0 EFAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cnccn2)C1 ZINC000075165888 216592361 /nfs/dbraw/zinc/59/23/61/216592361.db2.gz SKFXVLKDFYYFHI-CABCVRRESA-N 0 0 340.383 2.766 50 0 EFAARN COc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000022465380 212299737 /nfs/dbraw/zinc/29/97/37/212299737.db2.gz PVNHLHNIOUQWAI-HNNXBMFYSA-N 0 0 346.452 2.560 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CCOC(=O)/C=C/c1ccccc1 ZINC000022469558 212299791 /nfs/dbraw/zinc/29/97/91/212299791.db2.gz RAPKNJIWMSBCFY-VAWYXSNFSA-N 0 0 334.375 2.962 50 0 biogenic EFAARN Cc1ccc(/C=C/S(=O)(=O)NC[C@]2(O)CCc3ccccc32)cc1 ZINC000075170307 216594686 /nfs/dbraw/zinc/59/46/86/216594686.db2.gz OXOOXTWOIBEMLX-XSSIKURBSA-N 0 0 343.448 2.719 50 0 EFAARN Cc1cccc(=O)n1CCCNC(=O)Cc1c(F)cccc1Cl ZINC000216022159 240231043 /nfs/dbraw/zinc/23/10/43/240231043.db2.gz YBMLUWDUXKSBAO-UHFFFAOYSA-N 0 0 336.794 2.698 50 0 EFAARN CCc1nn2c(c1C(=O)NCc1ccncc1)N[C@H](c1ccccc1)C2 ZINC000263616006 240386600 /nfs/dbraw/zinc/38/66/00/240386600.db2.gz GLKVOZZMGZLOJX-KRWDZBQOSA-N 0 0 347.422 2.937 50 0 EFAARN COc1cc(NC(=O)c2cc(-c3ccc[nH]3)[nH]n2)cc(OC)c1OC ZINC000263615128 240386831 /nfs/dbraw/zinc/38/68/31/240386831.db2.gz ASACHPBFMMWNNQ-UHFFFAOYSA-N 0 0 342.355 2.683 50 0 EFAARN COc1cccc(CN[C@H]2CNC(=O)c3cc(-c4ccccc4)nn32)c1 ZINC000263617328 240388370 /nfs/dbraw/zinc/38/83/70/240388370.db2.gz NEYCONHNZUGSNZ-LJQANCHMSA-N 0 0 348.406 2.591 50 0 EFAARN Cc1ccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1 ZINC000263617545 240388405 /nfs/dbraw/zinc/38/84/05/240388405.db2.gz OHKPKQBPYFTJFD-UHFFFAOYSA-N 0 0 349.438 2.876 50 0 EFAARN CCc1noc(-c2cc3n(n2)C[C@@H](c2ccc(OC)cc2)OC3)n1 ZINC000263616483 240389703 /nfs/dbraw/zinc/38/97/03/240389703.db2.gz IZGDYVABFBYBMS-HNNXBMFYSA-N 0 0 326.356 2.776 50 0 EFAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000022237531 212285393 /nfs/dbraw/zinc/28/53/93/212285393.db2.gz MVGSELCNZGESIL-UHFFFAOYSA-N 0 0 338.392 2.865 50 0 EFAARN O=C(CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O)c1ccccc1 ZINC000013628051 283842646 /nfs/dbraw/zinc/84/26/46/283842646.db2.gz FRPDPTJOQJWNMW-SFHVURJKSA-N 0 0 348.402 2.911 50 0 EFAARN COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000022145182 212278777 /nfs/dbraw/zinc/27/87/77/212278777.db2.gz VGBGYESKCXRXGV-LJQANCHMSA-N 0 0 342.414 2.858 50 0 EFAARN O=C(COc1ccccc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000350761 283855383 /nfs/dbraw/zinc/85/53/83/283855383.db2.gz FCAOAUIDNHIKDJ-IUODEOHRSA-N 0 0 342.317 2.705 50 0 EFAARN CCCCOc1ccccc1N1C(=O)C[C@H](N2CCCCC2)C1=O ZINC000022078413 212277044 /nfs/dbraw/zinc/27/70/44/212277044.db2.gz JGBUFYRXTRLSIZ-INIZCTEOSA-N 0 0 330.428 2.983 50 0 EFAARN O=C(COc1ccccc1F)NC[C@@H]1CCCN1c1ccccc1 ZINC000211116432 241079674 /nfs/dbraw/zinc/07/96/74/241079674.db2.gz MCQYOLUOZIGYLN-INIZCTEOSA-N 0 0 328.387 2.990 50 0 EFAARN c1cnc(N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)nc1 ZINC000215350675 241121031 /nfs/dbraw/zinc/12/10/31/241121031.db2.gz WSHZPMBNERJYAA-UHFFFAOYSA-N 0 0 338.459 2.637 50 0 EFAARN CCOc1cc(CN2CCCC[C@H]2C(=O)NC)c(Cl)cc1OC ZINC000215012394 241103229 /nfs/dbraw/zinc/10/32/29/241103229.db2.gz PQPIAIYKACAAPV-AWEZNQCLSA-N 0 0 340.851 2.848 50 0 EFAARN Cc1ccccc1[C@H](NC(=O)c1cnc(N)nc1C)c1ccncc1 ZINC000215140089 241107134 /nfs/dbraw/zinc/10/71/34/241107134.db2.gz RYAAQRZQFVWGFN-QGZVFWFLSA-N 0 0 333.395 2.590 50 0 EFAARN CSCC[C@H](O)C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 ZINC000215176115 241110591 /nfs/dbraw/zinc/11/05/91/241110591.db2.gz GLACVRMSOWFWEY-KRWDZBQOSA-N 0 0 347.484 2.562 50 0 EFAARN CNC(=O)C1(NC(=O)c2[nH]nc(-c3ccccc3)c2C)CCCCC1 ZINC000215216818 241113434 /nfs/dbraw/zinc/11/34/34/241113434.db2.gz ODFRGPUMOZDGEN-UHFFFAOYSA-N 0 0 340.427 2.564 50 0 EFAARN CC1(C)C[C@@]1(C(=O)NCC1=CSC2=NCCN12)c1ccccc1F ZINC000215247886 241113470 /nfs/dbraw/zinc/11/34/70/241113470.db2.gz PZFFZPPYARPZLE-SFHVURJKSA-N 0 0 345.443 2.869 50 0 EFAARN Cc1nonc1CC(=O)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000215226490 241115091 /nfs/dbraw/zinc/11/50/91/241115091.db2.gz LIACTHIOVZDJFO-HNNXBMFYSA-N 0 0 343.362 2.690 50 0 EFAARN Cn1cc(C(=O)N(Cc2ccsc2)Cc2cccnc2)ccc1=O ZINC000215309977 241116442 /nfs/dbraw/zinc/11/64/42/241116442.db2.gz UUOXFNGQSJRNEG-UHFFFAOYSA-N 0 0 339.420 2.684 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]nc1-c1ccc(F)cc1 ZINC000206652062 241046887 /nfs/dbraw/zinc/04/68/87/241046887.db2.gz XOJPNNKNNCILLL-UHFFFAOYSA-N 0 0 340.314 2.634 50 0 EFAARN Cc1cccc2sc(OC3CN(C(=O)c4cccnc4)C3)nc21 ZINC000206658265 241047626 /nfs/dbraw/zinc/04/76/26/241047626.db2.gz WXJJMVFXETZIKY-UHFFFAOYSA-N 0 0 325.393 2.903 50 0 EFAARN COc1nn(C)cc1C(=O)Nc1ccsc1-c1nc(C2CC2)no1 ZINC000206667524 241047968 /nfs/dbraw/zinc/04/79/68/241047968.db2.gz JEZNQYZJEHVBAL-UHFFFAOYSA-N 0 0 345.384 2.670 50 0 EFAARN CSC[C@@](C)(O)CNC(=O)CCc1ccccc1Br ZINC000206714473 241049567 /nfs/dbraw/zinc/04/95/67/241049567.db2.gz QBJWFRFGIPICBD-AWEZNQCLSA-N 0 0 346.290 2.612 50 0 EFAARN O=C(/C=C/c1ccoc1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000206705407 241050122 /nfs/dbraw/zinc/05/01/22/241050122.db2.gz MPNVBWNOCXBZMT-LFAOLKIESA-N 0 0 325.286 2.859 50 0 EFAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccs1 ZINC000206794218 241051254 /nfs/dbraw/zinc/05/12/54/241051254.db2.gz MSDQUGUBJQPCIM-AAEUAGOBSA-N 0 0 349.383 2.722 50 0 EFAARN Cn1cc(CC(=O)N[C@H]2CCN(c3nccs3)C2)c2ccccc21 ZINC000206813455 241051463 /nfs/dbraw/zinc/05/14/63/241051463.db2.gz COBSPUAGGKCJMU-AWEZNQCLSA-N 0 0 340.452 2.572 50 0 EFAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccccc1 ZINC000206793343 241051670 /nfs/dbraw/zinc/05/16/70/241051670.db2.gz AHQCOPDOSAZCKA-ZBFHGGJFSA-N 0 0 343.354 2.661 50 0 EFAARN COc1cccc2cc(C(=O)N[C@H]3CCN(c4nccs4)C3)oc21 ZINC000206809488 241051943 /nfs/dbraw/zinc/05/19/43/241051943.db2.gz LHKSLRYTLXYVKW-LBPRGKRZSA-N 0 0 343.408 2.907 50 0 EFAARN O=S(=O)(/C=C/c1ccccc1)NC[C@H]1CCCN1c1nccs1 ZINC000206783124 241052283 /nfs/dbraw/zinc/05/22/83/241052283.db2.gz JNNOJSVVYBRIOV-INDWDQIESA-N 0 0 349.481 2.702 50 0 EFAARN Cn1ccnc1CN1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000215334383 241119665 /nfs/dbraw/zinc/11/96/65/241119665.db2.gz HHWJEDDAZUMZED-KRWDZBQOSA-N 0 0 344.459 2.573 50 0 EFAARN Cn1cccc1CN(C1CC1)S(=O)(=O)c1cccc2cccnc21 ZINC000207955656 241063077 /nfs/dbraw/zinc/06/30/77/241063077.db2.gz LKKFDZMQGJKIRD-UHFFFAOYSA-N 0 0 341.436 2.927 50 0 EFAARN Cc1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cn2)s1 ZINC000215713159 241140579 /nfs/dbraw/zinc/14/05/79/241140579.db2.gz QKRHFDCXSUWXBB-UHFFFAOYSA-N 0 0 334.348 2.991 50 0 EFAARN Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)nc1 ZINC000215892612 241154174 /nfs/dbraw/zinc/15/41/74/241154174.db2.gz 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O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccc(=O)[nH]c1 ZINC000253535354 244008742 /nfs/dbraw/zinc/00/87/42/244008742.db2.gz MNGIKRZDCSLOCT-GMBSWORKSA-N 0 0 349.390 2.577 50 0 EFAARN Cc1nc([C@H]2C[C@@H](NC(=O)C3(c4ccccc4F)CC3)C2)cc(=O)[nH]1 ZINC000253535251 244009369 /nfs/dbraw/zinc/00/93/69/244009369.db2.gz JBMDHNGURMRLRO-BETUJISGSA-N 0 0 341.386 2.724 50 0 EFAARN COCc1nc([C@H]2C[C@H](Nc3ncnc4ccsc43)C2)cc(=O)[nH]1 ZINC000253535933 244012812 /nfs/dbraw/zinc/01/28/12/244012812.db2.gz YCYQADAKJYDEEK-MGCOHNPYSA-N 0 0 343.412 2.691 50 0 EFAARN OCC[C@@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1F ZINC000020452121 212130559 /nfs/dbraw/zinc/13/05/59/212130559.db2.gz JPHGAGROYYVGLI-GOSISDBHSA-N 0 0 344.430 2.600 50 0 EFAARN O=C(c1cccs1)N1CCC(n2cc(-c3cccnc3)nn2)CC1 ZINC000020451028 212130143 /nfs/dbraw/zinc/13/01/43/212130143.db2.gz OYKCQDQPANFHEE-UHFFFAOYSA-N 0 0 339.424 2.879 50 0 EFAARN C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)CO ZINC000253592272 244028432 /nfs/dbraw/zinc/02/84/32/244028432.db2.gz XWYBFXIUISNTQG-WIZXCHGNSA-N 0 0 348.483 2.747 50 0 EFAARN CC(C)c1nc(CNC(=O)c2ccc(N[C@@H](C)C3CC3)nc2)no1 ZINC000020453618 212131202 /nfs/dbraw/zinc/13/12/02/212131202.db2.gz LUNFOEMAKVVEPY-NSHDSACASA-N 0 0 329.404 2.728 50 0 EFAARN O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccccc2O)cc1 ZINC000020436711 212128889 /nfs/dbraw/zinc/12/88/89/212128889.db2.gz MPVRSBTUTMJOKL-OAHLLOKOSA-N 0 0 340.379 2.553 50 0 EFAARN O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccccc2O)cc1 ZINC000020436708 212128968 /nfs/dbraw/zinc/12/89/68/212128968.db2.gz MPVRSBTUTMJOKL-HNNXBMFYSA-N 0 0 340.379 2.553 50 0 EFAARN C(=C/c1ccccc1)\CN1CCN(Cn2nnc3ccccc32)CC1 ZINC000020432525 212128515 /nfs/dbraw/zinc/12/85/15/212128515.db2.gz YUFBJFHNKTXIRY-RMKNXTFCSA-N 0 0 333.439 2.720 50 0 EFAARN O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020435761 212128570 /nfs/dbraw/zinc/12/85/70/212128570.db2.gz ZRMHZKLENIKPLG-HNNXBMFYSA-N 0 0 343.254 2.817 50 0 EFAARN Cc1ccccc1CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020418625 212127144 /nfs/dbraw/zinc/12/71/44/212127144.db2.gz VYJVMJYIOORTMD-UHFFFAOYSA-N 0 0 336.482 2.563 50 0 EFAARN c1cnn(Cc2cnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020405056 212125904 /nfs/dbraw/zinc/12/59/04/212125904.db2.gz CBXBGFOIBKRQCJ-UHFFFAOYSA-N 0 0 339.468 2.710 50 0 EFAARN O=C(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000020386050 212124712 /nfs/dbraw/zinc/12/47/12/212124712.db2.gz QGZPYMJDEGDPNO-UHFFFAOYSA-N 0 0 337.832 2.734 50 0 EFAARN Cc1ccc(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000020367158 212123677 /nfs/dbraw/zinc/12/36/77/212123677.db2.gz FJDWUSAARMBRMK-UHFFFAOYSA-N 0 0 342.414 2.857 50 0 EFAARN CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000020310889 212117822 /nfs/dbraw/zinc/11/78/22/212117822.db2.gz LBRVXLJNHSHRQB-LJQANCHMSA-N 0 0 338.407 2.901 50 0 EFAARN CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2C)c1=N ZINC000020288998 212116830 /nfs/dbraw/zinc/11/68/30/212116830.db2.gz MOXRGWGGTGMNCJ-OAHLLOKOSA-N 0 0 325.412 2.690 50 0 EFAARN Cc1noc(C)c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020294741 212116894 /nfs/dbraw/zinc/11/68/94/212116894.db2.gz OVMXRGACOAOOBK-RMKNXTFCSA-N 0 0 325.412 2.763 50 0 EFAARN O=S(=O)(NCC[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000077111848 216840019 /nfs/dbraw/zinc/84/00/19/216840019.db2.gz ZEBJMHJFDMTNJG-GFCCVEGCSA-N 0 0 349.330 2.700 50 0 EFAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O ZINC000020233764 212113422 /nfs/dbraw/zinc/11/34/22/212113422.db2.gz RJKKDQMUKAJIDH-MRACZJACSA-N 0 0 330.365 2.766 50 0 EFAARN O=C(Cc1nnc(-c2ccccc2)[nH]1)N1CCC[C@@H]1c1ccccn1 ZINC000020206174 212112088 /nfs/dbraw/zinc/11/20/88/212112088.db2.gz FRVYVUCVBZSBDC-MRXNPFEDSA-N 0 0 333.395 2.773 50 0 EFAARN CCOc1ccc(CC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC000020176441 212109964 /nfs/dbraw/zinc/10/99/64/212109964.db2.gz QFSYKKLQOBIOMQ-UHFFFAOYSA-N 0 0 328.412 2.565 50 0 EFAARN CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCc1cccnc1 ZINC000077287290 216863385 /nfs/dbraw/zinc/86/33/85/216863385.db2.gz CQOKSYYYBMKONI-UHFFFAOYSA-N 0 0 338.386 2.998 50 0 EFAARN COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000020134887 212105084 /nfs/dbraw/zinc/10/50/84/212105084.db2.gz IIWAMPOWJCXGNH-UHFFFAOYSA-N 0 0 337.850 2.753 50 0 EFAARN Cc1cc(=O)oc2cc(OCCSCCN3CCOCC3)ccc12 ZINC000020132981 212104459 /nfs/dbraw/zinc/10/44/59/212104459.db2.gz ORIMNNAZBXAPLP-UHFFFAOYSA-N 0 0 349.452 2.546 50 0 biogenic EFAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3nc(C)cc(C)n3)cc2)n1 ZINC000077285122 216862008 /nfs/dbraw/zinc/86/20/08/216862008.db2.gz VPXURYVUMAJOBN-UHFFFAOYSA-N 0 0 335.411 2.826 50 0 EFAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(F)ccc1F ZINC000020095798 212100132 /nfs/dbraw/zinc/10/01/32/212100132.db2.gz GMJYESMHGRMOTP-UHFFFAOYSA-N 0 0 341.317 2.827 50 0 EFAARN Cc1ccc(S(=O)(=O)C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000020058320 212099133 /nfs/dbraw/zinc/09/91/33/212099133.db2.gz IBVDEYCKBGNESF-LJQANCHMSA-N 0 0 345.464 2.842 50 0 EFAARN CN(Cc1cccc2ncccc12)C(=O)CCc1nc(Cl)n[nH]1 ZINC000077319267 216871697 /nfs/dbraw/zinc/87/16/97/216871697.db2.gz IKVRXJOVQQHHOX-UHFFFAOYSA-N 0 0 329.791 2.598 50 0 EFAARN Cc1nc([C@@H](C)N(C)S(=O)(=O)c2c(C)noc2C)c(C)s1 ZINC000077320897 216872273 /nfs/dbraw/zinc/87/22/73/216872273.db2.gz DNJRBNRCLDQXFW-MRVPVSSYSA-N 0 0 329.447 2.746 50 0 EFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3Cn3cccn3)cc2)n1 ZINC000077323238 216872544 /nfs/dbraw/zinc/87/25/44/216872544.db2.gz OVZWUUPYMFDFQD-IBGZPJMESA-N 0 0 349.438 2.990 50 0 EFAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 ZINC000077343927 216877522 /nfs/dbraw/zinc/87/75/22/216877522.db2.gz HTZWWHVBWQOZJW-GFCCVEGCSA-N 0 0 341.411 2.545 50 0 EFAARN Nc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)ccn1 ZINC000077344114 216877693 /nfs/dbraw/zinc/87/76/93/216877693.db2.gz HZGLRWNMIGMGIG-INIZCTEOSA-N 0 0 325.412 2.997 50 0 EFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCCO2 ZINC000077353970 216880025 /nfs/dbraw/zinc/88/00/25/216880025.db2.gz SCLJYLHXQFGXDI-MRXNPFEDSA-N 0 0 331.412 2.960 50 0 EFAARN O=c1c(Cl)c(NCc2ccccn2)cnn1-c1cccc(Cl)n1 ZINC000020032032 212095394 /nfs/dbraw/zinc/09/53/94/212095394.db2.gz CNCCXTJXPDZEJW-UHFFFAOYSA-N 0 0 348.193 2.941 50 0 EFAARN COC(=O)c1cc(N2CCC[C@H](COc3cccc(C)c3)C2)ncn1 ZINC000077358360 216883079 /nfs/dbraw/zinc/88/30/79/216883079.db2.gz HYXVCLNEFCXYPE-HNNXBMFYSA-N 0 0 341.411 2.867 50 0 EFAARN O=C(C1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019939840 212088794 /nfs/dbraw/zinc/08/87/94/212088794.db2.gz LYHYUIYDIWJOFS-UHFFFAOYSA-N 0 0 330.428 2.640 50 0 EFAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCOC[C@@H](CO)C1 ZINC000077394512 216893589 /nfs/dbraw/zinc/89/35/89/216893589.db2.gz ODEILLLIDXKHOR-OAHLLOKOSA-N 0 0 327.380 2.560 50 0 EFAARN Cc1ccc(CN2CCN(C(=O)[C@H]3CC=CCC3)CC2=O)cc1C ZINC000077406689 216895919 /nfs/dbraw/zinc/89/59/19/216895919.db2.gz LHXBFSKCGAPZOP-SFHVURJKSA-N 0 0 326.440 2.831 50 0 EFAARN Cc1ccc([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000019933022 212086361 /nfs/dbraw/zinc/08/63/61/212086361.db2.gz JFXKKOMOFOVGKU-ZDUSSCGKSA-N 0 0 332.425 2.858 50 0 EFAARN Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]c(=O)c(Cl)c2)c(C)s1 ZINC000077423674 216901080 /nfs/dbraw/zinc/90/10/80/216901080.db2.gz XAPCBNZGPIWCPI-SSDOTTSWSA-N 0 0 325.821 2.935 50 0 EFAARN Cc1cc(C)cc(CN2CCN(C(=O)CSC(C)C)CC2=O)c1 ZINC000077407096 216896680 /nfs/dbraw/zinc/89/66/80/216896680.db2.gz VKODCFBKYJRNHL-UHFFFAOYSA-N 0 0 334.485 2.616 50 0 EFAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1 ZINC000019900305 212080980 /nfs/dbraw/zinc/08/09/80/212080980.db2.gz LDQJZSLRTTYGLX-CYBMUJFWSA-N 0 0 342.892 2.659 50 0 EFAARN Cc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000019902142 212080986 /nfs/dbraw/zinc/08/09/86/212080986.db2.gz WOVOBYKTUCWSTK-UHFFFAOYSA-N 0 0 346.471 2.525 50 0 EFAARN Nc1c2cccnc2sc1C1N=NC(=S)N1C[C@H]1CCCO1 ZINC000019894305 212080606 /nfs/dbraw/zinc/08/06/06/212080606.db2.gz RJYCSPLKFIUIET-MRVPVSSYSA-N 0 0 333.442 2.605 50 0 EFAARN COCCC[C@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1 ZINC000077459404 216910795 /nfs/dbraw/zinc/91/07/95/216910795.db2.gz GHMKZGIDDFWORZ-QGZVFWFLSA-N 0 0 340.489 2.644 50 0 EFAARN Cc1c2cc(C)ccc2oc1-c1nccn1CCN(C)S(C)(=O)=O ZINC000077469744 216910883 /nfs/dbraw/zinc/91/08/83/216910883.db2.gz FIJPEZMVZAWUGK-UHFFFAOYSA-N 0 0 347.440 2.805 50 0 EFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(OC)c1OC ZINC000077440411 216906076 /nfs/dbraw/zinc/90/60/76/216906076.db2.gz JLXSWCOKCBXHSC-CYBMUJFWSA-N 0 0 335.400 2.652 50 0 EFAARN COc1cccc(CN2CCN(C(=O)c3sccc3C)CC2=O)c1 ZINC000077453397 216907382 /nfs/dbraw/zinc/90/73/82/216907382.db2.gz CQPOUSQMHRKYSJ-UHFFFAOYSA-N 0 0 344.436 2.550 50 0 EFAARN CCN1CCN([C@H](C)CS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019826710 212073096 /nfs/dbraw/zinc/07/30/96/212073096.db2.gz WAINWPWSMKCZRH-MRXNPFEDSA-N 0 0 346.496 2.640 50 0 EFAARN Cc1c(O)cccc1C(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077486267 216916963 /nfs/dbraw/zinc/91/69/63/216916963.db2.gz OGUBPPKLCYZGSO-HXUWFJFHSA-N 0 0 342.439 2.708 50 0 EFAARN O=C(c1ccc[nH]1)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000019837721 212074278 /nfs/dbraw/zinc/07/42/78/212074278.db2.gz OIKOPGAAWFYFQA-AWEZNQCLSA-N 0 0 327.432 2.816 50 0 EFAARN O=C(c1ccc[nH]1)N1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000019837719 212074113 /nfs/dbraw/zinc/07/41/13/212074113.db2.gz OIKOPGAAWFYFQA-CQSZACIVSA-N 0 0 327.432 2.816 50 0 EFAARN CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](CN3CCOCC3)O2)cc1 ZINC000019799100 212070378 /nfs/dbraw/zinc/07/03/78/212070378.db2.gz PMSZKNSSEIHHKV-RBUKOAKNSA-N 0 0 333.472 2.990 50 0 EFAARN Cc1nnc(SCC(=O)NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000019790649 212068317 /nfs/dbraw/zinc/06/83/17/212068317.db2.gz JCNSGMUQXYUMRN-UHFFFAOYSA-N 0 0 333.413 2.500 50 0 EFAARN Cc1ccc(OCCc2ccccc2S(N)(=O)=O)c(Cl)c1 ZINC000077489450 216918316 /nfs/dbraw/zinc/91/83/16/216918316.db2.gz DUBCITICBRQJLK-UHFFFAOYSA-N 0 0 325.817 2.917 50 0 EFAARN Cc1nc(CC(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)c(C)s1 ZINC000019772265 212064900 /nfs/dbraw/zinc/06/49/00/212064900.db2.gz SYAOQBQCQHEIQI-LBPRGKRZSA-N 0 0 349.481 2.827 50 0 EFAARN CCOc1ccc([C@@H](C)N(C)C(=O)c2nnc3n2CCCC3)cc1 ZINC000019790716 212067453 /nfs/dbraw/zinc/06/74/53/212067453.db2.gz FJHSQHNOSPWGGB-CYBMUJFWSA-N 0 0 328.416 2.846 50 0 EFAARN O=C(NC[C@H]1OCCc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000077518882 216925881 /nfs/dbraw/zinc/92/58/81/216925881.db2.gz ZBOIIUWEABHJFE-LJQANCHMSA-N 0 0 333.391 2.916 50 0 EFAARN CCc1ccc(CN2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000019787630 212066791 /nfs/dbraw/zinc/06/67/91/212066791.db2.gz CGKSDTAJJQSLEN-UHFFFAOYSA-N 0 0 338.451 2.972 50 0 EFAARN CCCc1[nH]c([C@H]2CC(=O)N(CCOC)C2)nc1-c1ccccc1 ZINC000019787155 212066366 /nfs/dbraw/zinc/06/63/66/212066366.db2.gz IEQONFBJGTWLTM-HNNXBMFYSA-N 0 0 327.428 2.992 50 0 EFAARN COc1cc(-c2cccc(-c3ccn(Cc4noc(C)n4)n3)c2)ncn1 ZINC000019782085 212066389 /nfs/dbraw/zinc/06/63/89/212066389.db2.gz YLOAKGIJYDCEKY-UHFFFAOYSA-N 0 0 348.366 2.755 50 0 EFAARN COc1ccc(CN2CCN(Cc3ccco3)CC2)c(OC)c1OC ZINC000019781994 212066223 /nfs/dbraw/zinc/06/62/23/212066223.db2.gz RHXQSEUKWPWGBE-UHFFFAOYSA-N 0 0 346.427 2.623 50 0 EFAARN COc1ncccc1C(=O)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000019761485 212062933 /nfs/dbraw/zinc/06/29/33/212062933.db2.gz UMAQCUPAQIKKQY-OAHLLOKOSA-N 0 0 332.425 2.738 50 0 EFAARN Cn1cnnc1SCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077540824 216933460 /nfs/dbraw/zinc/93/34/60/216933460.db2.gz MRFMCKGXWCICFM-AWEZNQCLSA-N 0 0 334.420 2.800 50 0 EFAARN CCc1[nH]nc(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)c1C ZINC000077541203 216933572 /nfs/dbraw/zinc/93/35/72/216933572.db2.gz PUZVZBBZAFRMFO-CQSZACIVSA-N 0 0 326.444 2.940 50 0 EFAARN CCCN(C[C@H]1CCCO1)c1ccc(-c2nc(COC)no2)cn1 ZINC000019743831 212060409 /nfs/dbraw/zinc/06/04/09/212060409.db2.gz DOGAFKIBYJUOLX-CQSZACIVSA-N 0 0 332.404 2.673 50 0 EFAARN CCOCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC ZINC000019736731 212059523 /nfs/dbraw/zinc/05/95/23/212059523.db2.gz NNOCBWOYBLZJRT-UHFFFAOYSA-N 0 0 330.384 2.945 50 0 EFAARN O=C(c1cc(Cl)ccc1F)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000019720809 212058391 /nfs/dbraw/zinc/05/83/91/212058391.db2.gz QWPJKRFEBLDMMY-MRXNPFEDSA-N 0 0 346.789 2.662 50 0 EFAARN Cn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=N ZINC000019733337 212057875 /nfs/dbraw/zinc/05/78/75/212057875.db2.gz HVLSVLXQWSCKRE-CYBMUJFWSA-N 0 0 331.803 2.553 50 0 EFAARN O=C(NCCCN1CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019681767 212054669 /nfs/dbraw/zinc/05/46/69/212054669.db2.gz VJYGBFZSFOEKNA-UHFFFAOYSA-N 0 0 332.231 2.837 50 0 EFAARN C[C@@H]1CCc2sc3ncnc(NCCCN4CCOCC4)c3c2C1 ZINC000019682066 212054520 /nfs/dbraw/zinc/05/45/20/212054520.db2.gz SSGUCGMTSISLFR-CYBMUJFWSA-N 0 0 346.500 2.950 50 0 EFAARN COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1OC ZINC000019567341 212044540 /nfs/dbraw/zinc/04/45/40/212044540.db2.gz AZZVAMRMYPPEOP-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 EFAARN COc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC ZINC000019549556 212041451 /nfs/dbraw/zinc/04/14/51/212041451.db2.gz ACJVNSBPPNKAIB-UHFFFAOYSA-N 0 0 340.379 2.615 50 0 EFAARN COc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019365160 212020848 /nfs/dbraw/zinc/02/08/48/212020848.db2.gz HIOVFUOGTLZEDY-UHFFFAOYSA-N 0 0 340.423 2.742 50 0 biogenic EFAARN CCCC(=O)N[C@H](N1C[C@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl ZINC000019315856 212015547 /nfs/dbraw/zinc/01/55/47/212015547.db2.gz IJELYAPRVVJGHR-ATZCPNFKSA-N 0 0 331.671 2.708 50 0 EFAARN COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000034926224 284292403 /nfs/dbraw/zinc/29/24/03/284292403.db2.gz GNZYWIDKLQOFMO-SFHVURJKSA-N 0 0 328.387 2.862 50 0 EFAARN O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(-c2ccco2)on1 ZINC000049504139 214012621 /nfs/dbraw/zinc/01/26/21/214012621.db2.gz FYUNTUQYLXPGKH-LBPRGKRZSA-N 0 0 332.356 2.740 50 0 EFAARN CC(C)n1ncc2c1nc1c(c2C(=O)NCc2ccccn2)CCC1 ZINC000049543828 214015326 /nfs/dbraw/zinc/01/53/26/214015326.db2.gz OOZDGIMGVBWUKT-UHFFFAOYSA-N 0 0 335.411 2.826 50 0 EFAARN O=C(c1cc2c([nH]c1=O)C[C@H](c1cccs1)CC2=O)N1CCCC1 ZINC000049551173 214018460 /nfs/dbraw/zinc/01/84/60/214018460.db2.gz SBOSRLLQYLOTRQ-NSHDSACASA-N 0 0 342.420 2.585 50 0 EFAARN Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nccs1 ZINC000049551522 214018755 /nfs/dbraw/zinc/01/87/55/214018755.db2.gz DAVZIJFKPNPMDL-UHFFFAOYSA-N 0 0 341.392 2.673 50 0 EFAARN Cc1ccnc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)c1 ZINC000049550802 214019320 /nfs/dbraw/zinc/01/93/20/214019320.db2.gz GIGMQNVQYALNPF-UHFFFAOYSA-N 0 0 349.390 2.920 50 0 EFAARN O=C(Nc1ccc(Br)cc1)c1cc2c([nH]c1=O)CCC2 ZINC000067630301 284297849 /nfs/dbraw/zinc/29/78/49/284297849.db2.gz JOSHDELAKFJWAG-UHFFFAOYSA-N 0 0 333.185 2.878 50 0 EFAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)cc1 ZINC000019167564 212002823 /nfs/dbraw/zinc/00/28/23/212002823.db2.gz BYIIOLNFLNQKTM-OTWHNJEPSA-N 0 0 347.418 2.531 50 0 EFAARN COc1ccc(-c2c[nH]c([C@H]3CC(=O)N(Cc4cccnc4)C3)n2)cc1 ZINC000019146928 212002354 /nfs/dbraw/zinc/00/23/54/212002354.db2.gz MRUGGAJTDBYXAH-INIZCTEOSA-N 0 0 348.406 2.996 50 0 EFAARN CC(C)Cc1cc(CNC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)on1 ZINC000019147946 212002078 /nfs/dbraw/zinc/00/20/78/212002078.db2.gz AWNFFRRUTNAZDG-ZWKOTPCHSA-N 0 0 334.416 2.611 50 0 EFAARN c1c[nH]c(CN2CCC[C@H](Cn3cc(C4CCCCC4)nn3)C2)n1 ZINC000019145466 212001814 /nfs/dbraw/zinc/00/18/14/212001814.db2.gz CELDYGKDIZDARN-HNNXBMFYSA-N 0 0 328.464 2.961 50 0 EFAARN Cc1ccc(-n2nnnc2CNC(=O)Nc2c(F)cccc2F)cc1 ZINC000017052198 211946521 /nfs/dbraw/zinc/94/65/21/211946521.db2.gz RLSSQQRJYPXAJS-UHFFFAOYSA-N 0 0 344.325 2.571 50 0 EFAARN CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000078952579 217157412 /nfs/dbraw/zinc/15/74/12/217157412.db2.gz KIKBOIYISRGMKZ-TZMCWYRMSA-N 0 0 342.461 2.505 50 0 EFAARN CCS(=O)(=O)CCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000078952568 217158005 /nfs/dbraw/zinc/15/80/05/217158005.db2.gz KIKBOIYISRGMKZ-GXTWGEPZSA-N 0 0 342.461 2.505 50 0 EFAARN CCc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1 ZINC000016742356 211933460 /nfs/dbraw/zinc/93/34/60/211933460.db2.gz GUQDNKPMNQPIBY-UHFFFAOYSA-N 0 0 349.481 2.885 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2)cc1 ZINC000016649551 211925525 /nfs/dbraw/zinc/92/55/25/211925525.db2.gz WUJBMIHJJLZFFS-UHFFFAOYSA-N 0 0 332.425 2.508 50 0 EFAARN O=C(COc1cccc(Cl)c1Cl)N1CCC2(CC1)OCCO2 ZINC000016602738 211917773 /nfs/dbraw/zinc/91/77/73/211917773.db2.gz KQHLXOHKMIDXMZ-UHFFFAOYSA-N 0 0 346.210 2.738 50 0 EFAARN CCc1cccc(C)c1NC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000016625960 211921289 /nfs/dbraw/zinc/92/12/89/211921289.db2.gz NASQVADWWLWZTJ-UHFFFAOYSA-N 0 0 346.452 2.865 50 0 EFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1 ZINC000016527155 211912266 /nfs/dbraw/zinc/91/22/66/211912266.db2.gz DPQWCNKIRKCINC-UHFFFAOYSA-N 0 0 343.770 2.750 50 0 EFAARN O=C([O-])[C@@]12C[N@H+](CCCC(F)(F)F)C[C@@H]1c1ccccc1OC2 ZINC000095499224 304169447 /nfs/dbraw/zinc/16/94/47/304169447.db2.gz XHASGLVLKUDYSY-IUODEOHRSA-N 0 0 329.318 2.892 50 0 EFAARN CCOc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1 ZINC000079438695 217224693 /nfs/dbraw/zinc/22/46/93/217224693.db2.gz GUGYEMMIFOQMPY-UHFFFAOYSA-N 0 0 336.436 2.711 50 0 EFAARN Cn1ccc2c1cccc2C(=O)Nc1cccc(-c2nnn(C)n2)c1 ZINC000079477831 217230768 /nfs/dbraw/zinc/23/07/68/217230768.db2.gz NACNPMXSDRAHGK-UHFFFAOYSA-N 0 0 332.367 2.621 50 0 EFAARN O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccc(C(F)(F)F)nc1 ZINC000079483706 217231555 /nfs/dbraw/zinc/23/15/55/217231555.db2.gz FWNAYKCOAQJNGZ-LBPRGKRZSA-N 0 0 335.285 2.914 50 0 EFAARN O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCc1ccccn1 ZINC000079487060 217232526 /nfs/dbraw/zinc/23/25/26/217232526.db2.gz COSKVRXJFARIGY-UHFFFAOYSA-N 0 0 347.378 2.862 50 0 EFAARN Cc1cccc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)n1 ZINC000079491038 217233251 /nfs/dbraw/zinc/23/32/51/217233251.db2.gz RZMYGCDZEVJUDE-UHFFFAOYSA-N 0 0 336.395 2.862 50 0 EFAARN O=C(NCCc1ccccc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079494516 217234044 /nfs/dbraw/zinc/23/40/44/217234044.db2.gz UUCUFJJAJVXNNR-HNNXBMFYSA-N 0 0 344.846 2.705 50 0 EFAARN O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc2cc[nH]c2c1 ZINC000079494783 217234068 /nfs/dbraw/zinc/23/40/68/217234068.db2.gz WFPPIBGRKWJRMU-UHFFFAOYSA-N 0 0 334.335 2.623 50 0 EFAARN O=C(CCc1nc2cccnc2[nH]1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000079494750 217234504 /nfs/dbraw/zinc/23/45/04/217234504.db2.gz YQKRUFIYOUBDLA-UHFFFAOYSA-N 0 0 337.339 2.510 50 0 EFAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccnc2)CC1=O ZINC000015826692 211856060 /nfs/dbraw/zinc/85/60/60/211856060.db2.gz MHTJWNLEFPWQOQ-LLVKDONJSA-N 0 0 345.786 2.735 50 0 EFAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1F ZINC000011813100 211247481 /nfs/dbraw/zinc/24/74/81/211247481.db2.gz QDVUFYHJOHPSHZ-ZDUSSCGKSA-N 0 0 346.358 2.866 50 0 EFAARN O=C(CC1(Cn2cnnn2)CCCCC1)N1CCc2ccccc2C1 ZINC000079501752 217235960 /nfs/dbraw/zinc/23/59/60/217235960.db2.gz DWWNTYQJYDKVBT-UHFFFAOYSA-N 0 0 339.443 2.599 50 0 EFAARN CCc1ccc(O[C@@H](C)C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 ZINC000015838964 211860113 /nfs/dbraw/zinc/86/01/13/211860113.db2.gz UJHRIKOSESNONE-ZDUSSCGKSA-N 0 0 338.367 2.598 50 0 EFAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000015835100 211857691 /nfs/dbraw/zinc/85/76/91/211857691.db2.gz QRPYRXCOESAZOK-LLVKDONJSA-N 0 0 343.774 2.722 50 0 EFAARN COCCn1c(C(=O)NCCc2nccs2)cc2ccccc21 ZINC000079836200 217256966 /nfs/dbraw/zinc/25/69/66/217256966.db2.gz FSKAWWKWRZUYAR-UHFFFAOYSA-N 0 0 329.425 2.717 50 0 EFAARN COc1ccc(NC(=O)C2(NC=O)C3CC4CC(C3)CC2C4)cc1 ZINC000015414415 211822942 /nfs/dbraw/zinc/82/29/42/211822942.db2.gz IGRXVWHXRHUNJR-UHFFFAOYSA-N 0 0 328.412 2.575 50 0 EFAARN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000015390643 211821317 /nfs/dbraw/zinc/82/13/17/211821317.db2.gz SVMCXXMEYIJDOA-UHFFFAOYSA-N 0 0 333.409 2.635 50 0 EFAARN O=C(NCCN1CCOCC1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344976 217299396 /nfs/dbraw/zinc/29/93/96/217299396.db2.gz HTRAKACYRBBFDW-GJZGRUSLSA-N 0 0 343.254 2.545 50 0 EFAARN COc1ccc(CNC(=O)[C@@H]2CC(=O)c3cc(Cl)ccc3O2)cc1 ZINC000015083896 211801311 /nfs/dbraw/zinc/80/13/11/211801311.db2.gz MHQQXTUEDNPGJQ-KRWDZBQOSA-N 0 0 345.782 2.999 50 0 EFAARN O=C(CSc1nc2ncccc2o1)NCCOc1ccccc1 ZINC000015108906 211803062 /nfs/dbraw/zinc/80/30/62/211803062.db2.gz SPMXNCIAUWQAKR-UHFFFAOYSA-N 0 0 329.381 2.510 50 0 EFAARN CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000015073727 211797016 /nfs/dbraw/zinc/79/70/16/211797016.db2.gz LMERJTQPDOVZHQ-LJQANCHMSA-N 0 0 348.418 2.585 50 0 EFAARN COCCC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000014973967 211782364 /nfs/dbraw/zinc/78/23/64/211782364.db2.gz OBMCEGMLNWGPLE-AWEZNQCLSA-N 0 0 334.464 2.769 50 0 EFAARN Ic1cccc(I)c1 ZINC000055161584 294778182 /nfs/dbraw/zinc/77/81/82/294778182.db2.gz SFPQFQUXAJOWNF-UHFFFAOYSA-N 0 0 329.906 2.896 50 0 EFAARN CN(Cc1ccccc1)c1ncccc1CNC(=O)C1CCOCC1 ZINC000014955023 211777332 /nfs/dbraw/zinc/77/73/32/211777332.db2.gz IBQBRSZEJOZLOY-UHFFFAOYSA-N 0 0 339.439 2.761 50 0 EFAARN Cc1cn2cc(C(=O)NCCc3nc4c(s3)CCC4)ccc2n1 ZINC000082096323 217463333 /nfs/dbraw/zinc/46/33/33/217463333.db2.gz ZTXKKXKXSJIJPH-UHFFFAOYSA-N 0 0 326.425 2.560 50 0 EFAARN COc1ccc2[nH]c(C(=O)N(C)Cc3noc(C(C)C)n3)cc2c1 ZINC000082107046 217467786 /nfs/dbraw/zinc/46/77/86/217467786.db2.gz DRSXJIKLOXMGIX-UHFFFAOYSA-N 0 0 328.372 2.955 50 0 EFAARN O=C(NCc1ccco1)N1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082156842 217479569 /nfs/dbraw/zinc/47/95/69/217479569.db2.gz WDSQQZWKVBUSLM-HNNXBMFYSA-N 0 0 328.416 2.975 50 0 EFAARN COc1ccccc1CC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000082133694 217474004 /nfs/dbraw/zinc/47/40/04/217474004.db2.gz IBQFFRBXOOLGOT-UHFFFAOYSA-N 0 0 340.423 2.841 50 0 EFAARN O=C(c1cnn2ccccc12)N1CCCN(c2ccc(F)cc2)CC1 ZINC000082134548 217475247 /nfs/dbraw/zinc/47/52/47/217475247.db2.gz HHDGMXPYLXVDME-UHFFFAOYSA-N 0 0 338.386 2.826 50 0 EFAARN CCCc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)no1 ZINC000082138885 217477247 /nfs/dbraw/zinc/47/72/47/217477247.db2.gz RMISIBUUKVWJBG-INIZCTEOSA-N 0 0 329.400 2.844 50 0 EFAARN CCc1nc(CCNC(=O)c2csc(-c3ccccc3)n2)no1 ZINC000264305599 246324729 /nfs/dbraw/zinc/32/47/29/246324729.db2.gz KGXYBCAHFJHUMX-UHFFFAOYSA-N 0 0 328.397 2.728 50 0 EFAARN CCn1c2ccc(C)cc2c(=O)c2c1CCN(C(=O)C(F)(F)F)C2 ZINC000085345683 217659694 /nfs/dbraw/zinc/65/96/94/217659694.db2.gz MSLGOCLQLSBZHZ-UHFFFAOYSA-N 0 0 338.329 2.777 50 0 EFAARN CCc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)s1 ZINC000085436402 217668307 /nfs/dbraw/zinc/66/83/07/217668307.db2.gz OWEOTBOHCNNICK-UHFFFAOYSA-N 0 0 339.486 2.608 50 0 EFAARN Cc1cccc(=O)n1CCC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000085479189 217673735 /nfs/dbraw/zinc/67/37/35/217673735.db2.gz DVKVZAQUWPBICF-HNNXBMFYSA-N 0 0 328.387 2.702 50 0 EFAARN O=C(c1csc(-c2cccs2)n1)N1CCC(n2cnnc2)CC1 ZINC000085479086 217674136 /nfs/dbraw/zinc/67/41/36/217674136.db2.gz LGDHRDRRPYBNLQ-UHFFFAOYSA-N 0 0 345.453 2.940 50 0 EFAARN Cc1c2ccccc2sc1C(=O)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000221225756 291614862 /nfs/dbraw/zinc/61/48/62/291614862.db2.gz SFKNYGKMNVNFGG-OLZOCXBDSA-N 0 0 328.437 2.950 50 0 EFAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000085560727 217677706 /nfs/dbraw/zinc/67/77/06/217677706.db2.gz KOTJUSZQEGOQLH-AWEZNQCLSA-N 0 0 333.771 2.922 50 0 EFAARN CSc1ccccc1C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 ZINC000085560841 217678096 /nfs/dbraw/zinc/67/80/96/217678096.db2.gz XGYXOFKUDKCOFT-AWEZNQCLSA-N 0 0 345.420 2.991 50 0 EFAARN O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCOCC1 ZINC000013720775 211620218 /nfs/dbraw/zinc/62/02/18/211620218.db2.gz ZSQWKJYPZARBDZ-UHFFFAOYSA-N 0 0 335.359 2.932 50 0 EFAARN Cc1cccc(OCC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 ZINC000013715508 211618573 /nfs/dbraw/zinc/61/85/73/211618573.db2.gz SCKPTJFUYLNUSG-UHFFFAOYSA-N 0 0 326.396 2.643 50 0 EFAARN COc1ccc(C(=O)CNC(=O)CCc2ccc3c(c2)CCO3)cc1 ZINC000085875024 217686014 /nfs/dbraw/zinc/68/60/14/217686014.db2.gz DMNBBXBMPWEDSK-UHFFFAOYSA-N 0 0 339.391 2.562 50 0 biogenic EFAARN COC(=O)c1ccc(CSc2ccc(NC(=O)C(C)C)nn2)o1 ZINC000013702109 211615624 /nfs/dbraw/zinc/61/56/24/211615624.db2.gz UJDTZRBHFBQMGN-UHFFFAOYSA-N 0 0 335.385 2.743 50 0 EFAARN CC(=O)N1CCc2ccc(NC(=O)COc3ccccc3F)cc21 ZINC000013696080 211614994 /nfs/dbraw/zinc/61/49/94/211614994.db2.gz RDAKRTVHSOITCD-UHFFFAOYSA-N 0 0 328.343 2.752 50 0 EFAARN Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2Cl)cn1 ZINC000013568307 211582515 /nfs/dbraw/zinc/58/25/15/211582515.db2.gz HJOHQAYJYIJCNR-UHFFFAOYSA-N 0 0 331.803 2.593 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135713489 /nfs/dbraw/zinc/71/34/89/135713489.db2.gz FOBFJXVWYLSSLA-UHFFFAOYSA-N 0 0 345.830 2.771 50 0 EFAARN O=c1/c(=C\c2cc(Cl)ccc2O)sc2nc3ccccc3n12 ZINC000005790666 296523332 /nfs/dbraw/zinc/52/33/32/296523332.db2.gz SSTHLODGCXCIFF-RIYZIHGNSA-N 0 0 328.780 2.816 50 0 EFAARN Cc1ccc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)o1 ZINC000223668333 292095428 /nfs/dbraw/zinc/09/54/28/292095428.db2.gz NIVADVOXACJAAX-SFHVURJKSA-N 0 0 340.423 2.942 50 0 EFAARN Cc1ccc(N2CCN(CC(=O)NC3CCCCC3)C[C@@H]2C)cc1 ZINC000013737074 292134691 /nfs/dbraw/zinc/13/46/91/292134691.db2.gz BQRPCRYBKNTYLO-KRWDZBQOSA-N 0 0 329.488 2.954 50 0 EFAARN CO[C@H]1CCCOC12CCN(C(=O)NCCc1cccs1)CC2 ZINC000095516841 286043425 /nfs/dbraw/zinc/04/34/25/286043425.db2.gz ROPGUMYEGYDDGJ-HNNXBMFYSA-N 0 0 338.473 2.660 50 0 EFAARN CO[C@H]1CN2c3cc(F)c(Br)cc3NC(=O)[C@]2(C)C1 ZINC000238853921 286077087 /nfs/dbraw/zinc/07/70/87/286077087.db2.gz LRECPTRYJIFBLR-UHLUBPPHSA-N 0 0 329.169 2.524 50 0 EFAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccco1)N(C)CC3)OCO2 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/nfs/dbraw/zinc/33/09/80/471330980.db2.gz FCHBLJGYIUWOEU-INIZCTEOSA-N 0 0 328.412 2.710 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2OC)NC(=O)N1 ZINC000000175948 471331052 /nfs/dbraw/zinc/33/10/52/471331052.db2.gz DARGRIPHQWYBGF-HNNXBMFYSA-N 0 0 348.399 2.675 50 0 EFAARN Cc1ccc(OCC(=O)NCc2ccccn2)c(Br)c1 ZINC000000178521 471331081 /nfs/dbraw/zinc/33/10/81/471331081.db2.gz VEZCYEMCCGWUJM-UHFFFAOYSA-N 0 0 335.201 2.848 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000000180961 471331447 /nfs/dbraw/zinc/33/14/47/471331447.db2.gz XSWKNQTXISUGQM-UHFFFAOYSA-N 0 0 339.439 2.724 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000000178624 471331529 /nfs/dbraw/zinc/33/15/29/471331529.db2.gz IRDYVJWITNABMN-UHFFFAOYSA-N 0 0 330.453 2.814 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000182923 471331937 /nfs/dbraw/zinc/33/19/37/471331937.db2.gz IVRIMYXDNPPWQP-UHFFFAOYSA-N 0 0 344.754 2.583 50 0 EFAARN CCOc1ccc(N2C(=O)c3ccc(OC)c(OC)c3C2=O)cc1 ZINC000000194916 471333331 /nfs/dbraw/zinc/33/33/31/471333331.db2.gz KZQMXMJTJCTSMT-UHFFFAOYSA-N 0 0 327.336 2.903 50 0 EFAARN CC(=O)c1c(C)n(OCc2ccccc2)c2ccc3c(no[n+]3[O-])c21 ZINC000000195000 471333535 /nfs/dbraw/zinc/33/35/35/471333535.db2.gz VBKCSOATXSGXKJ-UHFFFAOYSA-N 0 0 337.335 2.556 50 0 EFAARN COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1O ZINC000000199346 471333727 /nfs/dbraw/zinc/33/37/27/471333727.db2.gz PIDLYUSCXCCDLK-RIYZIHGNSA-N 0 0 342.326 2.633 50 0 EFAARN O=C(Nc1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000000194222 471333827 /nfs/dbraw/zinc/33/38/27/471333827.db2.gz GJUPPFYXYGAPLF-QWHCGFSZSA-N 0 0 327.359 2.639 50 0 biogenic EFAARN Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 ZINC000000202241 471334614 /nfs/dbraw/zinc/33/46/14/471334614.db2.gz HJVMVBHZANZASR-UHFFFAOYSA-N 0 0 338.772 2.586 50 0 biogenic EFAARN COc1ccccc1NC(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000000202707 471334768 /nfs/dbraw/zinc/33/47/68/471334768.db2.gz ZDMDHVWPDBIHJU-XIKOKIGWSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1F ZINC000000202293 471334902 /nfs/dbraw/zinc/33/49/02/471334902.db2.gz GKFVCXFKRWHYTO-AWEZNQCLSA-N 0 0 334.372 2.649 50 0 EFAARN CCCC(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@@](=O)C2 ZINC000000212303 471336171 /nfs/dbraw/zinc/33/61/71/471336171.db2.gz UAXCNIQIACUCGA-HSZRJFAPSA-N 0 0 331.441 2.990 50 0 EFAARN CC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000211181 471336312 /nfs/dbraw/zinc/33/63/12/471336312.db2.gz ZCAZCKQJTNGNQY-UHFFFAOYSA-N 0 0 338.407 2.940 50 0 EFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1ccc(F)cc1 ZINC000000218512 471337087 /nfs/dbraw/zinc/33/70/87/471337087.db2.gz RABLZGHBVIYGTQ-UHFFFAOYSA-N 0 0 348.761 2.521 50 0 EFAARN COc1ccc([C@@H]2C[C@H](c3cccs3)Nc3nnnn32)c(OC)c1 ZINC000000222716 471337810 /nfs/dbraw/zinc/33/78/10/471337810.db2.gz CPMZGGDRMSLFMD-OLZOCXBDSA-N 0 0 343.412 2.898 50 0 EFAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1 ZINC000000221657 471337908 /nfs/dbraw/zinc/33/79/08/471337908.db2.gz IVRCYHXRMQLYPC-UHFFFAOYSA-N 0 0 342.380 2.871 50 0 EFAARN Cc1ccc(CNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1 ZINC000000220018 471338039 /nfs/dbraw/zinc/33/80/39/471338039.db2.gz WRYHVSPBDPSCAL-UHFFFAOYSA-N 0 0 347.418 2.844 50 0 EFAARN O=C(Nc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccs1 ZINC000000239575 471339024 /nfs/dbraw/zinc/33/90/24/471339024.db2.gz RRSSJLJDXUEZIB-CQSZACIVSA-N 0 0 330.409 2.909 50 0 EFAARN COc1ccc(C[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000261235 471341023 /nfs/dbraw/zinc/34/10/23/471341023.db2.gz FEBAMZNDIGRLDO-CQSZACIVSA-N 0 0 325.364 2.826 50 0 EFAARN CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000000264643 471341055 /nfs/dbraw/zinc/34/10/55/471341055.db2.gz HMBAJFCJKSNTMH-UHFFFAOYSA-N 0 0 335.425 2.963 50 0 EFAARN CC(F)(F)[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccncc1 ZINC000000270159 471342429 /nfs/dbraw/zinc/34/24/29/471342429.db2.gz NUGPIZVQCOBORF-KRWDZBQOSA-N 0 0 331.322 2.676 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000000280319 471342587 /nfs/dbraw/zinc/34/25/87/471342587.db2.gz AWLBMJCZDSEMQZ-CQSZACIVSA-N 0 0 343.427 2.765 50 0 EFAARN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(OC)c2)N1 ZINC000000274672 471342691 /nfs/dbraw/zinc/34/26/91/471342691.db2.gz NXCLHBJMPKVSGI-AWEZNQCLSA-N 0 0 330.306 2.948 50 0 EFAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)c1 ZINC000000279831 471342746 /nfs/dbraw/zinc/34/27/46/471342746.db2.gz NNMFHPIRYSVTDH-HNNXBMFYSA-N 0 0 348.399 2.673 50 0 EFAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1O ZINC000000279809 471342873 /nfs/dbraw/zinc/34/28/73/471342873.db2.gz BEKLRRDBIWWHOJ-OAHLLOKOSA-N 0 0 348.399 2.761 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000287178 471343270 /nfs/dbraw/zinc/34/32/70/471343270.db2.gz HLCBREWTMQSKSD-UHFFFAOYSA-N 0 0 326.377 2.740 50 0 EFAARN O=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000285284 471343397 /nfs/dbraw/zinc/34/33/97/471343397.db2.gz HKERHMKZTCTRQB-UHFFFAOYSA-N 0 0 345.402 2.833 50 0 EFAARN COc1ccc([C@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC ZINC000000282378 471343433 /nfs/dbraw/zinc/34/34/33/471343433.db2.gz RXYFEOVYJHRDPG-LJQANCHMSA-N 0 0 344.363 2.910 50 0 biogenic EFAARN O=C(NCc1ccco1)c1ccccc1I ZINC000000288525 471343643 /nfs/dbraw/zinc/34/36/43/471343643.db2.gz HJQHHNOBKKCYII-UHFFFAOYSA-N 0 0 327.121 2.814 50 0 EFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 ZINC000000296098 471343726 /nfs/dbraw/zinc/34/37/26/471343726.db2.gz QUKOPGBBHROFBN-UHFFFAOYSA-N 0 0 348.424 2.675 50 0 EFAARN NC(=O)CSc1nc2ccccc2n1CCOc1ccccc1F ZINC000000291653 471343798 /nfs/dbraw/zinc/34/37/98/471343798.db2.gz TWQJWSBEFYAHND-UHFFFAOYSA-N 0 0 345.399 2.832 50 0 EFAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1O ZINC000000293660 471343803 /nfs/dbraw/zinc/34/38/03/471343803.db2.gz PLFGRBPWZRSCHW-UHFFFAOYSA-N 0 0 329.396 2.976 50 0 biogenic EFAARN CCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1 ZINC000000301641 471344514 /nfs/dbraw/zinc/34/45/14/471344514.db2.gz DUOGQOGECKWZKB-UHFFFAOYSA-N 0 0 334.401 2.994 50 0 EFAARN Cc1ccc(C(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000000302759 471344902 /nfs/dbraw/zinc/34/49/02/471344902.db2.gz AGDUNJLXOOVADF-MRXNPFEDSA-N 0 0 349.312 2.891 50 0 EFAARN COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000000299921 471345109 /nfs/dbraw/zinc/34/51/09/471345109.db2.gz ANJGOZONZRWMMP-KRWDZBQOSA-N 0 0 331.755 2.761 50 0 EFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 ZINC000000309698 471345758 /nfs/dbraw/zinc/34/57/58/471345758.db2.gz XQJGKESWJQZBSD-CQSZACIVSA-N 0 0 339.395 2.780 50 0 EFAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCc1ccncc1 ZINC000000309857 471345835 /nfs/dbraw/zinc/34/58/35/471345835.db2.gz SVNGKUAICOOSND-UHFFFAOYSA-N 0 0 347.223 2.876 50 0 EFAARN COc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000000310863 471345855 /nfs/dbraw/zinc/34/58/55/471345855.db2.gz PJVNLYMGSBPZMJ-UHFFFAOYSA-N 0 0 349.408 2.519 50 0 aggregator EFAARN COc1cccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000000306832 471346002 /nfs/dbraw/zinc/34/60/02/471346002.db2.gz VPPQPKBTJDRNGM-UHFFFAOYSA-N 0 0 327.336 2.693 50 0 EFAARN COc1cc(C(=O)NC(=S)Nc2ccccc2)cc(OC)c1OC ZINC000000309572 471346041 /nfs/dbraw/zinc/34/60/41/471346041.db2.gz MRDYMGWMSSGWIR-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000309158 471346161 /nfs/dbraw/zinc/34/61/61/471346161.db2.gz CZLGVCGMOGITQB-UHFFFAOYSA-N 0 0 344.436 2.726 50 0 EFAARN COc1ccc2c(c1)oc(C)c(N1C(=O)c3ccccc3C1=O)c2=O ZINC000000307786 471346227 /nfs/dbraw/zinc/34/62/27/471346227.db2.gz GUZWLBYHTVETFN-UHFFFAOYSA-N 0 0 335.315 2.911 50 0 EFAARN C[C@@H](C(=O)Oc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000000313790 471347234 /nfs/dbraw/zinc/34/72/34/471347234.db2.gz MFGBNQUXCACHCC-JTQLQIEISA-N 0 0 329.739 2.930 50 0 EFAARN O=C(NC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000000315054 471347532 /nfs/dbraw/zinc/34/75/32/471347532.db2.gz NFZZGKCXDMFYKZ-VIFPVBQESA-N 0 0 333.240 2.777 50 0 EFAARN Cc1cc(=O)n([C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cn1 ZINC000000351314 471349197 /nfs/dbraw/zinc/34/91/97/471349197.db2.gz QNKLPUKREIPBKU-SECBINFHSA-N 0 0 340.638 2.583 50 0 EFAARN COC(=O)c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000342329 471349545 /nfs/dbraw/zinc/34/95/45/471349545.db2.gz FGVRWAVMOLPJKA-OAHLLOKOSA-N 0 0 341.388 2.897 50 0 EFAARN CCOC(=O)c1cc(I)c(-c2cc(C)no2)[nH]1 ZINC000000337798 471349787 /nfs/dbraw/zinc/34/97/87/471349787.db2.gz DJAMOWQYBRSLBG-UHFFFAOYSA-N 0 0 346.124 2.759 50 0 EFAARN O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000000354927 471350367 /nfs/dbraw/zinc/35/03/67/471350367.db2.gz KMXQUJWFMZUMDQ-UHFFFAOYSA-N 0 0 329.327 2.517 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC1 ZINC000000358511 471350947 /nfs/dbraw/zinc/35/09/47/471350947.db2.gz WIIINBMWWTZZJQ-UHFFFAOYSA-N 0 0 334.372 2.975 50 0 EFAARN C[C@@H](C(=O)N1CCCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000000366620 471351465 /nfs/dbraw/zinc/35/14/65/471351465.db2.gz RWPDXRYRUKBNIA-ZDUSSCGKSA-N 0 0 344.436 2.750 50 0 EFAARN Cc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1Cl ZINC000000372175 471351554 /nfs/dbraw/zinc/35/15/54/471351554.db2.gz DCCUJONLPHUHQX-UHFFFAOYSA-N 0 0 328.199 2.731 50 0 EFAARN CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1C)OCO2 ZINC000000364293 471351597 /nfs/dbraw/zinc/35/15/97/471351597.db2.gz NDAKGUHUZXVCEB-UHFFFAOYSA-N 0 0 327.336 2.944 50 0 EFAARN COC(=O)c1sc(NC(=O)c2cccc(C)c2)c(C(N)=O)c1C ZINC000000368908 471351620 /nfs/dbraw/zinc/35/16/20/471351620.db2.gz PFJDHMSJOWTDEL-UHFFFAOYSA-N 0 0 332.381 2.503 50 0 EFAARN CCOc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 ZINC000000370650 471351686 /nfs/dbraw/zinc/35/16/86/471351686.db2.gz LXKKIAGNHIHPKH-UHFFFAOYSA-N 0 0 333.413 2.804 50 0 EFAARN Cc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000000366409 471351750 /nfs/dbraw/zinc/35/17/50/471351750.db2.gz YZCZEASWEOZZRJ-UHFFFAOYSA-N 0 0 346.452 2.704 50 0 EFAARN CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc2ccccc21 ZINC000000379684 471352921 /nfs/dbraw/zinc/35/29/21/471352921.db2.gz HTRNTKWCFFQVFS-UHFFFAOYSA-N 0 0 346.452 2.665 50 0 EFAARN Cc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000379397 471353029 /nfs/dbraw/zinc/35/30/29/471353029.db2.gz DIJMKLPZGZOZOQ-UHFFFAOYSA-N 0 0 346.452 2.587 50 0 EFAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc3c(c2)OCO3)sc1N ZINC000000379091 471353055 /nfs/dbraw/zinc/35/30/55/471353055.db2.gz CWEXNJGCFLHLPU-UHFFFAOYSA-N 0 0 348.380 2.796 50 0 EFAARN CCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1 ZINC000000384646 471353787 /nfs/dbraw/zinc/35/37/87/471353787.db2.gz WTMXUCNUHFZIBI-UHFFFAOYSA-N 0 0 326.805 2.612 50 0 EFAARN Nn1c(=O)c2cnn(-c3ccccc3)c2nc1SCc1ccccc1 ZINC000000386584 471353823 /nfs/dbraw/zinc/35/38/23/471353823.db2.gz ODZKDVCDRZRHOR-UHFFFAOYSA-N 0 0 349.419 2.588 50 0 EFAARN Cc1ccc(C)c(S(=O)(=O)N2C(=S)NC(=O)[C@@H]2C(C)C)c1 ZINC000000387286 471354085 /nfs/dbraw/zinc/35/40/85/471354085.db2.gz MZFCPQRPOBWYCG-LBPRGKRZSA-N 0 0 326.443 2.574 50 0 EFAARN CCOC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1N ZINC000000385046 471354112 /nfs/dbraw/zinc/35/41/12/471354112.db2.gz OLVCIKCKVOVAMQ-UHFFFAOYSA-N 0 0 339.355 2.522 50 0 EFAARN COc1ccc(CCNc2nc3nc(C)c(C)nc3n2C)cc1OC ZINC000000382807 471354141 /nfs/dbraw/zinc/35/41/41/471354141.db2.gz HVYNUXBKWKUETH-UHFFFAOYSA-N 0 0 341.415 2.652 50 0 biogenic EFAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4)n(C)c3nc12 ZINC000000387261 471354165 /nfs/dbraw/zinc/35/41/65/471354165.db2.gz WTNIMOBEBWNMPB-UHFFFAOYSA-N 0 0 332.363 2.747 50 0 EFAARN Ic1ccccc1-n1nnnc1-c1ccccc1 ZINC000000406341 471354204 /nfs/dbraw/zinc/35/42/04/471354204.db2.gz XRMSTMSFRJTCAE-UHFFFAOYSA-N 0 0 348.147 2.934 50 0 EFAARN COc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc(C)cc1 ZINC000000401185 471355041 /nfs/dbraw/zinc/35/50/41/471355041.db2.gz AWIJFMKNBKFCQP-UHFFFAOYSA-N 0 0 331.393 2.785 50 0 EFAARN NC(=O)CSc1nnc2c3c(-c4ccccc4)csc3ncn12 ZINC000000412536 471355289 /nfs/dbraw/zinc/35/52/89/471355289.db2.gz QDMLAAPMGARATI-UHFFFAOYSA-N 0 0 341.421 2.583 50 0 EFAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)no1 ZINC000000415886 471355773 /nfs/dbraw/zinc/35/57/73/471355773.db2.gz DGDTVDHHJFDHAP-UHFFFAOYSA-N 0 0 334.332 2.903 50 0 EFAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000415942 471356115 /nfs/dbraw/zinc/35/61/15/471356115.db2.gz JEYYEHQYTDLPFN-UHFFFAOYSA-N 0 0 349.390 2.800 50 0 EFAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C ZINC000000420548 471356386 /nfs/dbraw/zinc/35/63/86/471356386.db2.gz NPIYAOGGMLEGPV-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(N)=O)N2C1=O ZINC000000424872 471357819 /nfs/dbraw/zinc/35/78/19/471357819.db2.gz MLGIVKCHZUKEFG-TVQRCGJNSA-N 0 0 330.413 2.960 50 0 EFAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1OC ZINC000000425638 471358893 /nfs/dbraw/zinc/35/88/93/471358893.db2.gz DWJXTZHTHXULTA-UHFFFAOYSA-N 0 0 329.312 2.908 50 0 EFAARN COc1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1 ZINC000000428496 471358925 /nfs/dbraw/zinc/35/89/25/471358925.db2.gz YMTGIXRGKUHIGQ-UHFFFAOYSA-N 0 0 329.400 2.936 50 0 EFAARN COc1cc(NC(=O)c2noc3c2CCCC3)cc(OC)c1OC ZINC000000426358 471359231 /nfs/dbraw/zinc/35/92/31/471359231.db2.gz WQIQTRKNWQZESG-UHFFFAOYSA-N 0 0 332.356 2.832 50 0 EFAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)OC ZINC000000442199 471361075 /nfs/dbraw/zinc/36/10/75/471361075.db2.gz CVYJCXFNMWXSFI-UHFFFAOYSA-N 0 0 342.417 2.894 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1/C=C/c1ccccc1 ZINC000000444842 471361090 /nfs/dbraw/zinc/36/10/90/471361090.db2.gz IGDSSVASLPFMGC-VFNNOXKTSA-N 0 0 342.420 2.851 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)s1 ZINC000000451877 471361157 /nfs/dbraw/zinc/36/11/57/471361157.db2.gz WBVBXPZHMSICBH-JTQLQIEISA-N 0 0 345.218 2.702 50 0 EFAARN COc1cc(NC(=O)Cc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000000443070 471361164 /nfs/dbraw/zinc/36/11/64/471361164.db2.gz IMFPOFAQGCZHAT-UHFFFAOYSA-N 0 0 331.368 2.902 50 0 EFAARN O=CN[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000000442716 471361401 /nfs/dbraw/zinc/36/14/01/471361401.db2.gz UIIFYOGJLZRDHE-QMMMGPOBSA-N 0 0 344.626 2.554 50 0 EFAARN COc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1OC ZINC000000452257 471362240 /nfs/dbraw/zinc/36/22/40/471362240.db2.gz KWVIQEDOHHFCBW-UHFFFAOYSA-N 0 0 334.372 2.970 50 0 EFAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000454905 471362380 /nfs/dbraw/zinc/36/23/80/471362380.db2.gz BMXXERCMRKJCFS-UHFFFAOYSA-N 0 0 332.425 2.563 50 0 EFAARN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(OC)c1 ZINC000000456915 471362494 /nfs/dbraw/zinc/36/24/94/471362494.db2.gz AVNVKUZOZVKUSC-UHFFFAOYSA-N 0 0 347.396 2.764 50 0 EFAARN COC(=O)c1cc(NC(=O)/C=C/c2ccc(C)o2)cc(C(=O)OC)c1 ZINC000000461699 471363086 /nfs/dbraw/zinc/36/30/86/471363086.db2.gz XNGMCNDEKCNYFY-VOTSOKGWSA-N 0 0 343.335 2.813 50 0 EFAARN CCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1 ZINC000000460876 471363261 /nfs/dbraw/zinc/36/32/61/471363261.db2.gz ZFIIUFYNWKWVDJ-UHFFFAOYSA-N 0 0 335.787 2.873 50 0 EFAARN COC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 ZINC000000469389 471363326 /nfs/dbraw/zinc/36/33/26/471363326.db2.gz PUCRQMKFQJIVOA-CLFYSBASSA-N 0 0 340.129 2.579 50 0 EFAARN O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000000459946 471363358 /nfs/dbraw/zinc/36/33/58/471363358.db2.gz HAOXWGKZWIWPDU-UHFFFAOYSA-N 0 0 325.437 2.524 50 0 EFAARN COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 ZINC000000458617 471363372 /nfs/dbraw/zinc/36/33/72/471363372.db2.gz NBFLUBRZMCHEQH-GFCCVEGCSA-N 0 0 329.352 2.888 50 0 EFAARN COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 ZINC000000458615 471363623 /nfs/dbraw/zinc/36/36/23/471363623.db2.gz NBFLUBRZMCHEQH-LBPRGKRZSA-N 0 0 329.352 2.888 50 0 EFAARN Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000000470640 471363952 /nfs/dbraw/zinc/36/39/52/471363952.db2.gz CFTPACOABGMEEU-UHFFFAOYSA-N 0 0 338.816 2.565 50 0 EFAARN O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)c1cccnc1 ZINC000000487620 471365361 /nfs/dbraw/zinc/36/53/61/471365361.db2.gz WGWZJMFTEHBPLQ-HNNXBMFYSA-N 0 0 326.425 2.719 50 0 biogenic EFAARN COc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1 ZINC000000482491 471365507 /nfs/dbraw/zinc/36/55/07/471365507.db2.gz QBWMPOAWASWJLD-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCC3 ZINC000000497226 471366358 /nfs/dbraw/zinc/36/63/58/471366358.db2.gz RNTJHDYGSVEVQV-UHFFFAOYSA-N 0 0 338.454 2.622 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)OCCO2 ZINC000000489700 471366421 /nfs/dbraw/zinc/36/64/21/471366421.db2.gz QWFUQWSZABBLIU-KRWDZBQOSA-N 0 0 343.335 2.756 50 0 biogenic EFAARN COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1OC ZINC000000496892 471366801 /nfs/dbraw/zinc/36/68/01/471366801.db2.gz BCSZGEZMMAFVFE-UHFFFAOYSA-N 0 0 331.368 2.651 50 0 EFAARN O=c1c2ccccc2nc2n1CCC2(Br)Br ZINC000000517605 471367573 /nfs/dbraw/zinc/36/75/73/471367573.db2.gz ZBUCEBWKZJHARS-UHFFFAOYSA-N 0 0 344.006 2.743 50 0 biogenic EFAARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2cccc(OC)c2)C1=O ZINC000000527982 471368982 /nfs/dbraw/zinc/36/89/82/471368982.db2.gz VYYRZWOQGWAAIP-FQEVSTJZSA-N 0 0 339.391 2.912 50 0 EFAARN COc1ccccc1-c1nc2s/c(=C/c3ccc(C)cc3)c(=O)n2n1 ZINC000000527143 471369074 /nfs/dbraw/zinc/36/90/74/471369074.db2.gz BIGGMPFVJDOTEE-LFIBNONCSA-N 0 0 349.415 2.683 50 0 EFAARN CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccc(C)cc1C ZINC000000528028 471369165 /nfs/dbraw/zinc/36/91/65/471369165.db2.gz AHSDEPYCRFIMDS-INIZCTEOSA-N 0 0 346.452 2.918 50 0 EFAARN Cn1c2cn(-c3cccc(F)c3)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000000536493 471369382 /nfs/dbraw/zinc/36/93/82/471369382.db2.gz YWAFBCXVMWFFCV-UHFFFAOYSA-N 0 0 349.365 2.834 50 0 EFAARN COc1ccc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1 ZINC000000536695 471369851 /nfs/dbraw/zinc/36/98/51/471369851.db2.gz LKKXMQFDFDXEMH-UHFFFAOYSA-N 0 0 325.368 2.893 50 0 EFAARN COc1cccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)n3)C2=O)c1 ZINC000000539927 471369996 /nfs/dbraw/zinc/36/99/96/471369996.db2.gz WSOSTJQCGSONLP-CQSZACIVSA-N 0 0 343.408 2.526 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCOCC1 ZINC000000559915 471370230 /nfs/dbraw/zinc/37/02/30/471370230.db2.gz PVIXBVBHOAFVDW-UHFFFAOYSA-N 0 0 342.395 2.793 50 0 EFAARN CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000555599 471370356 /nfs/dbraw/zinc/37/03/56/471370356.db2.gz KHMQBDIEJQOXHO-UHFFFAOYSA-N 0 0 346.452 2.553 50 0 EFAARN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1 ZINC000000550969 471370767 /nfs/dbraw/zinc/37/07/67/471370767.db2.gz NPIXVOLZWXDWQX-LBPRGKRZSA-N 0 0 345.424 2.922 50 0 EFAARN Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000000568383 471371449 /nfs/dbraw/zinc/37/14/49/471371449.db2.gz CYNMXDBNAQXTRS-UHFFFAOYSA-N 0 0 344.392 2.865 50 0 EFAARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1C ZINC000000563039 471371514 /nfs/dbraw/zinc/37/15/14/471371514.db2.gz UXNFNHSSDWQPNI-UHFFFAOYSA-N 0 0 349.408 2.899 50 0 EFAARN Cc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O ZINC000000566640 471371825 /nfs/dbraw/zinc/37/18/25/471371825.db2.gz PIUAVCJTNCIGJD-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN C[C@@H](C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000000581989 471372366 /nfs/dbraw/zinc/37/23/66/471372366.db2.gz CXNPTWLUNSEKLS-NSHDSACASA-N 0 0 344.864 2.553 50 0 EFAARN Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 ZINC000000578925 471372701 /nfs/dbraw/zinc/37/27/01/471372701.db2.gz FZCNEALZUQSXHH-ZHACJKMWSA-N 0 0 339.420 2.620 50 0 EFAARN C[C@H](C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000000581990 471372726 /nfs/dbraw/zinc/37/27/26/471372726.db2.gz CXNPTWLUNSEKLS-LLVKDONJSA-N 0 0 344.864 2.553 50 0 EFAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000571548 471373018 /nfs/dbraw/zinc/37/30/18/471373018.db2.gz ANKLFTUONHBJJV-UHFFFAOYSA-N 0 0 337.422 2.996 50 0 EFAARN O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)cn1 ZINC000000615423 471373714 /nfs/dbraw/zinc/37/37/14/471373714.db2.gz ZYOLOUZKIGIUII-UHFFFAOYSA-N 0 0 347.787 2.911 50 0 EFAARN COC(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1Cl ZINC000000611239 471373725 /nfs/dbraw/zinc/37/37/25/471373725.db2.gz BWTXGMDTJIHSGE-HNNXBMFYSA-N 0 0 347.754 2.905 50 0 EFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1F ZINC000000614022 471373805 /nfs/dbraw/zinc/37/38/05/471373805.db2.gz MPNOQAFFICIKPB-UHFFFAOYSA-N 0 0 330.290 2.590 50 0 EFAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 ZINC000000615512 471373882 /nfs/dbraw/zinc/37/38/82/471373882.db2.gz ICQBKMFZDXFMEE-LBPRGKRZSA-N 0 0 328.343 2.826 50 0 EFAARN CCn1ncc(NC(=O)Nc2ccc(Cl)cc2Cl)c1C(N)=O ZINC000000612347 471374166 /nfs/dbraw/zinc/37/41/66/471374166.db2.gz XWPMYFQRIKFCSK-UHFFFAOYSA-N 0 0 342.186 2.953 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000000610220 471374201 /nfs/dbraw/zinc/37/42/01/471374201.db2.gz YFYGTMSBDSPQIR-UHFFFAOYSA-N 0 0 347.465 2.632 50 0 EFAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000617041 471374447 /nfs/dbraw/zinc/37/44/47/471374447.db2.gz WCFAAADEPNISGQ-UHFFFAOYSA-N 0 0 335.381 2.657 50 0 EFAARN COc1ccc(NC(=O)C[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000619811 471374472 /nfs/dbraw/zinc/37/44/72/471374472.db2.gz CRKGMOVHTNVPIT-CYBMUJFWSA-N 0 0 329.352 2.872 50 0 EFAARN CC(=O)Nc1ccc(OC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000000620684 471375186 /nfs/dbraw/zinc/37/51/86/471375186.db2.gz QLUWCVQNRBLZBB-UHFFFAOYSA-N 0 0 331.397 2.750 50 0 EFAARN COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccco2)cc1 ZINC000000800812 471376324 /nfs/dbraw/zinc/37/63/24/471376324.db2.gz GPOKOHIDPJJOOC-CQSZACIVSA-N 0 0 325.411 2.725 50 0 EFAARN COc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 ZINC000000815316 471376330 /nfs/dbraw/zinc/37/63/30/471376330.db2.gz MFVURNRROCMTOC-UHFFFAOYSA-N 0 0 333.298 2.631 50 0 EFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc1 ZINC000000806712 471376396 /nfs/dbraw/zinc/37/63/96/471376396.db2.gz IWWDXEUDLRDUKP-GFCCVEGCSA-N 0 0 328.343 2.826 50 0 EFAARN CC[C@H](C)NC(=O)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000000814961 471376479 /nfs/dbraw/zinc/37/64/79/471376479.db2.gz QASBCKZFOOIPLI-TVQRCGJNSA-N 0 0 325.206 2.857 50 0 EFAARN O=C(CSc1nc2ccccc2o1)N1CC(=O)Nc2ccccc21 ZINC000000801790 471376507 /nfs/dbraw/zinc/37/65/07/471376507.db2.gz XOZZFCIJQMVTQV-UHFFFAOYSA-N 0 0 339.376 2.905 50 0 EFAARN Cc1ccc(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1 ZINC000001078961 471380708 /nfs/dbraw/zinc/38/07/08/471380708.db2.gz GWPBKRIVCFJXCH-OAHLLOKOSA-N 0 0 338.473 2.552 50 0 EFAARN CC(=O)Oc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000001067105 471381728 /nfs/dbraw/zinc/38/17/28/471381728.db2.gz ROWOPZMRANTPEE-UHFFFAOYSA-N 0 0 337.335 2.592 50 0 EFAARN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2)CC1=O ZINC000001072418 471381786 /nfs/dbraw/zinc/38/17/86/471381786.db2.gz FRIZNYLAYBBEOT-LBPRGKRZSA-N 0 0 328.343 2.826 50 0 EFAARN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000001078224 471381805 /nfs/dbraw/zinc/38/18/05/471381805.db2.gz GRNXGVXJOPRDFZ-UHFFFAOYSA-N 0 0 326.324 2.589 50 0 EFAARN CCC1=NN(C(=O)c2ccc(OC)cc2)[C@](O)(c2ccncc2)C1 ZINC000001208129 471381956 /nfs/dbraw/zinc/38/19/56/471381956.db2.gz QNWMXHNRWGCBJM-GOSISDBHSA-N 0 0 325.368 2.547 50 0 EFAARN CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC ZINC000001137550 471382400 /nfs/dbraw/zinc/38/24/00/471382400.db2.gz UHBIWODCFCNGQT-OAHLLOKOSA-N 0 0 340.379 2.620 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000001164027 471382778 /nfs/dbraw/zinc/38/27/78/471382778.db2.gz WUTMJZWAXZUGFF-UHFFFAOYSA-N 0 0 343.335 2.659 50 0 EFAARN O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1Br ZINC000001164188 471382826 /nfs/dbraw/zinc/38/28/26/471382826.db2.gz KBQWLFBRUKHFRP-UHFFFAOYSA-N 0 0 345.152 2.585 50 0 EFAARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1O ZINC000001250665 471383411 /nfs/dbraw/zinc/38/34/11/471383411.db2.gz GRTQBOXVWYRXQP-HNNXBMFYSA-N 0 0 345.424 2.879 50 0 EFAARN O=C(c1ccccc1F)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000001235576 471383564 /nfs/dbraw/zinc/38/35/64/471383564.db2.gz TZKNKNPMHFYONG-CQSZACIVSA-N 0 0 331.368 2.783 50 0 EFAARN O=C(NCc1ccccc1)[C@H]1CC=CC[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000001233702 471383739 /nfs/dbraw/zinc/38/37/39/471383739.db2.gz YPAWNTYHOKFGPC-BZSNNMDCSA-N 0 0 343.423 2.607 50 0 EFAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(=O)N3)c1 ZINC000001272959 471384004 /nfs/dbraw/zinc/38/40/04/471384004.db2.gz WVXUBZBHCKIXDK-OAHLLOKOSA-N 0 0 347.378 2.770 50 0 EFAARN CCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(OC)cc32)cc1 ZINC000001320658 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CCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)n1 ZINC000002760789 471420725 /nfs/dbraw/zinc/42/07/25/471420725.db2.gz KNGHZIYAOPDEIT-UHFFFAOYSA-N 0 0 348.255 2.997 50 0 EFAARN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cccs2)c1 ZINC000002777562 471420778 /nfs/dbraw/zinc/42/07/78/471420778.db2.gz GJUDLWMWJAXYGL-SNVBAGLBSA-N 0 0 327.427 2.805 50 0 EFAARN O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)Nc1ncccn1 ZINC000002781304 471421115 /nfs/dbraw/zinc/42/11/15/471421115.db2.gz IBDFBROASMBZQF-UHFFFAOYSA-N 0 0 345.712 2.861 50 0 EFAARN CC(C)NC(=O)c1ccn(COc2c(F)c(F)cc(F)c2F)n1 ZINC000002786627 471421308 /nfs/dbraw/zinc/42/13/08/471421308.db2.gz AATUBGMIPZYCEI-UHFFFAOYSA-N 0 0 331.269 2.614 50 0 EFAARN NC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1 ZINC000002785671 471421743 /nfs/dbraw/zinc/42/17/43/471421743.db2.gz NEBGYWMICWSIAE-UKTHLTGXSA-N 0 0 349.481 2.838 50 0 EFAARN Cn1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3Cl)n2)n1 ZINC000002784701 471421779 /nfs/dbraw/zinc/42/17/79/471421779.db2.gz GHGLNPAFPMJDBN-UHFFFAOYSA-N 0 0 333.754 2.710 50 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2.750 50 0 EFAARN C[C@@H]1CCc2onc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2C1 ZINC000002805463 471424051 /nfs/dbraw/zinc/42/40/51/471424051.db2.gz DZVIIRYRDMKAMP-MRVPVSSYSA-N 0 0 328.294 2.811 50 0 EFAARN COc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000002864762 471424552 /nfs/dbraw/zinc/42/45/52/471424552.db2.gz YXMWWCIMPWCPNZ-UHFFFAOYSA-N 0 0 332.787 2.646 50 0 biogenic EFAARN COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000002846597 471424792 /nfs/dbraw/zinc/42/47/92/471424792.db2.gz YTFDWGHUAFEEHJ-UHFFFAOYSA-N 0 0 346.814 2.954 50 0 EFAARN CC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1 ZINC000002867154 471424847 /nfs/dbraw/zinc/42/48/47/471424847.db2.gz PQMQFSAVXGKIQE-UHFFFAOYSA-N 0 0 331.397 2.987 50 0 aggregator EFAARN O=c1c2ccccc2ncn1CCOCCOc1ccc(F)cc1 ZINC000002863080 471425657 /nfs/dbraw/zinc/42/56/57/471425657.db2.gz OXJSSAJOLIALEN-UHFFFAOYSA-N 0 0 328.343 2.631 50 0 EFAARN COc1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1 ZINC000002863012 471425719 /nfs/dbraw/zinc/42/57/19/471425719.db2.gz 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/nfs/dbraw/zinc/42/79/51/471427951.db2.gz MGEBFDRIZCHRDF-GFCCVEGCSA-N 0 0 328.368 2.520 50 0 EFAARN Cc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3n2)c(C)c1 ZINC000002961153 471428539 /nfs/dbraw/zinc/42/85/39/471428539.db2.gz DUKOFCKTDZDTQI-UHFFFAOYSA-N 0 0 343.452 2.781 50 0 EFAARN CCOC(=O)CSc1nc2ccccc2c(NC[C@@H]2CCCO2)n1 ZINC000002948683 471428567 /nfs/dbraw/zinc/42/85/67/471428567.db2.gz WXIWJSRVBPXWPH-LBPRGKRZSA-N 0 0 347.440 2.876 50 0 EFAARN Cc1ccn2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000002961133 471428876 /nfs/dbraw/zinc/42/88/76/471428876.db2.gz LWRORMFTNYNFMC-UHFFFAOYSA-N 0 0 349.843 2.817 50 0 EFAARN O=C(NCc1ccncc1)c1ccc(I)cc1 ZINC000002965833 471429240 /nfs/dbraw/zinc/42/92/40/471429240.db2.gz AQEXGCDFUNEBLQ-UHFFFAOYSA-N 0 0 338.148 2.616 50 0 EFAARN COc1ccc(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)cc1 ZINC000003007471 471430246 /nfs/dbraw/zinc/43/02/46/471430246.db2.gz AUAYQQBKTNWLHL-UHFFFAOYSA-N 0 0 349.346 2.790 50 0 EFAARN COc1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000002991865 471430353 /nfs/dbraw/zinc/43/03/53/471430353.db2.gz RUTKVSXHRUVVTP-UHFFFAOYSA-N 0 0 332.787 2.646 50 0 EFAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CCc2ccccc21 ZINC000003007447 471430723 /nfs/dbraw/zinc/43/07/23/471430723.db2.gz AVVJDEOEMFCVIJ-UHFFFAOYSA-N 0 0 345.358 2.732 50 0 EFAARN COc1ccc(-c2nsc(SCC(=O)N3CCCC3)n2)cc1 ZINC000003007352 471430974 /nfs/dbraw/zinc/43/09/74/471430974.db2.gz BVYUYBMTEZOHQS-UHFFFAOYSA-N 0 0 335.454 2.928 50 0 EFAARN Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2n1 ZINC000003077478 471431703 /nfs/dbraw/zinc/43/17/03/471431703.db2.gz UJSFKBQYVJAODI-UHFFFAOYSA-N 0 0 345.358 2.778 50 0 EFAARN C[C@H](NC(=O)C(=O)NCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000003073533 471431991 /nfs/dbraw/zinc/43/19/91/471431991.db2.gz HHZKMFQQJGVLOU-ZDUSSCGKSA-N 0 0 346.814 2.712 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)CCOC(=O)Nc2ccccc2)cc1 ZINC000003118698 471432912 /nfs/dbraw/zinc/43/29/12/471432912.db2.gz NOJZWEONCASBNY-UHFFFAOYSA-N 0 0 348.424 2.864 50 0 EFAARN Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCSC3=O)cn2)cc1 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O=C([O-])[C@@H]1Cc2c3cc(O)ccc3[nH]c2[C@@H](c2ccc(F)cc2)[NH2+]1 ZINC000004081671 471458731 /nfs/dbraw/zinc/45/87/31/471458731.db2.gz SQBYUSFMJCOOHU-JKSUJKDBSA-N 0 0 326.327 2.701 50 0 biogenic EFAARN O=C([O-])[C@@H]1Cc2c3cc(O)ccc3[nH]c2[C@H](c2ccc(F)cc2)[NH2+]1 ZINC000004081674 471459128 /nfs/dbraw/zinc/45/91/28/471459128.db2.gz SQBYUSFMJCOOHU-HOTGVXAUSA-N 0 0 326.327 2.701 50 0 biogenic EFAARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000004108117 471459754 /nfs/dbraw/zinc/45/97/54/471459754.db2.gz FUPKPVNEHCSHOI-CYBMUJFWSA-N 0 0 330.409 2.921 50 0 EFAARN Cc1cccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004185645 471461417 /nfs/dbraw/zinc/46/14/17/471461417.db2.gz CUTDHHHPRRMHMR-HNNXBMFYSA-N 0 0 349.477 2.886 50 0 EFAARN Cc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1 ZINC000004272385 471463116 /nfs/dbraw/zinc/46/31/16/471463116.db2.gz TXTDIRCTNNMOAZ-UHFFFAOYSA-N 0 0 338.436 2.962 50 0 EFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cccs3)N2C1=O ZINC000004326258 471463973 /nfs/dbraw/zinc/46/39/73/471463973.db2.gz BMHQAVCMVNKFSX-JOYOIKCWSA-N 0 0 336.438 2.960 50 0 EFAARN CC(=O)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 ZINC000004488769 471467391 /nfs/dbraw/zinc/46/73/91/471467391.db2.gz HHHGZFQEJASBHA-AWEZNQCLSA-N 0 0 339.347 2.857 50 0 EFAARN CCc1ccc(NC(=O)C(=O)NCCc2ccccc2OC)cc1 ZINC000004583725 471469210 /nfs/dbraw/zinc/46/92/10/471469210.db2.gz CLEVKRLTHCWVSS-UHFFFAOYSA-N 0 0 326.396 2.555 50 0 EFAARN CN(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000004704261 471471829 /nfs/dbraw/zinc/47/18/29/471471829.db2.gz NYEQPUWOSSNNHN-UHFFFAOYSA-N 0 0 327.403 2.854 50 0 EFAARN Cc1ccc2c(cc(C(=O)N3CCN(c4ccccn4)CC3)n2C)c1 ZINC000004711982 471472186 /nfs/dbraw/zinc/47/21/86/471472186.db2.gz JRZNTCIMKSHEBL-UHFFFAOYSA-N 0 0 334.423 2.844 50 0 EFAARN O=C1N(CN2CCCCC2)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2 ZINC000004717580 471472391 /nfs/dbraw/zinc/47/23/91/471472391.db2.gz ZEWKAUOVAMQTRW-QZTJIDSGSA-N 0 0 342.439 2.987 50 0 EFAARN CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O ZINC000004704635 471472550 /nfs/dbraw/zinc/47/25/50/471472550.db2.gz PKVWXVGRWXXEMW-KMKOMSMNSA-N 0 0 342.170 2.844 50 0 EFAARN FC(F)(F)COc1ccc(N2CCN(c3ccccc3)CC2)nn1 ZINC000004746828 471474006 /nfs/dbraw/zinc/47/40/06/471474006.db2.gz COFZUOCNFNNXHE-UHFFFAOYSA-N 0 0 338.333 2.744 50 0 EFAARN Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000004832509 471476021 /nfs/dbraw/zinc/47/60/21/471476021.db2.gz KHNPMHSKHAJMKS-MRXNPFEDSA-N 0 0 325.412 2.506 50 0 EFAARN Cc1ccc(N2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)nc1 ZINC000004840564 471476287 /nfs/dbraw/zinc/47/62/87/471476287.db2.gz NWMSTRLVGDIQQR-HNNXBMFYSA-N 0 0 335.285 2.904 50 0 EFAARN O=C1Nc2ccc(Cl)cc2[C@@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000004870347 471477755 /nfs/dbraw/zinc/47/77/55/471477755.db2.gz BLVJEXZXEYKDSX-ACJLOTCBSA-N 0 0 327.767 2.925 50 0 EFAARN O=c1c(Cl)c(NCCCO)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000004927552 471478626 /nfs/dbraw/zinc/47/86/26/471478626.db2.gz MPDPWJKVJCJVPT-UHFFFAOYSA-N 0 0 337.851 2.616 50 0 EFAARN CC(=O)c1cccc(NC(=S)N2CCN(c3ccccn3)CC2)c1 ZINC000005041996 471484805 /nfs/dbraw/zinc/48/48/05/471484805.db2.gz XYLQJQJMDUACDA-UHFFFAOYSA-N 0 0 340.452 2.803 50 0 EFAARN CC1(C)Cc2ccccc2/C(=C/C(=O)C(=O)NCc2ccccc2)N1 ZINC000005061116 471485728 /nfs/dbraw/zinc/48/57/28/471485728.db2.gz ZYQFLWRJFVQXMM-PDGQHHTCSA-N 0 0 334.419 2.837 50 0 EFAARN Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2)cs1 ZINC000005151778 471488011 /nfs/dbraw/zinc/48/80/11/471488011.db2.gz CJEPNSFKDNTTTR-UHFFFAOYSA-N 0 0 347.259 2.693 50 0 EFAARN COc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1OC ZINC000005183595 471490903 /nfs/dbraw/zinc/49/09/03/471490903.db2.gz QQYPAZTUJFJORY-UHFFFAOYSA-N 0 0 339.347 2.902 50 0 EFAARN COc1cccc(C(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC000005194233 471491583 /nfs/dbraw/zinc/49/15/83/471491583.db2.gz KTWNTTWXBRYVQX-INIZCTEOSA-N 0 0 338.407 2.847 50 0 EFAARN Cc1cccc(C(=O)Oc2ccc(/C=C3/NC(=S)NC3=O)cc2)c1 ZINC000005201290 471491792 /nfs/dbraw/zinc/49/17/92/471491792.db2.gz JYOPSSTWRQPDAT-XNTDXEJSSA-N 0 0 338.388 2.559 50 0 EFAARN CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(OC)cc1 ZINC000005208463 471491973 /nfs/dbraw/zinc/49/19/73/471491973.db2.gz PTPZHVDSBSKBJS-UHFFFAOYSA-N 0 0 346.456 2.688 50 0 EFAARN Cc1ccc(CCC(=O)NCCCNC(=O)CCc2ccc(C)o2)o1 ZINC000005235406 471494401 /nfs/dbraw/zinc/49/44/01/471494401.db2.gz BISBFVUINMTEDT-UHFFFAOYSA-N 0 0 346.427 2.677 50 0 EFAARN CCOc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000005250957 471495099 /nfs/dbraw/zinc/49/50/99/471495099.db2.gz LYLBLUAJYRXRKH-UHFFFAOYSA-N 0 0 330.359 2.522 50 0 EFAARN CCOc1ccccc1NC(=O)C(=O)NCCCc1ccccc1 ZINC000005251439 471495720 /nfs/dbraw/zinc/49/57/20/471495720.db2.gz GPRWLUNUWITEBO-UHFFFAOYSA-N 0 0 326.396 2.773 50 0 EFAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2N)c1 ZINC000005257237 471496397 /nfs/dbraw/zinc/49/63/97/471496397.db2.gz AKMHEYSTNIMXJH-UHFFFAOYSA-N 0 0 339.424 2.698 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3cccnc3)ccc12 ZINC000005265496 471496598 /nfs/dbraw/zinc/49/65/98/471496598.db2.gz DIEMYKSTBNJJIO-CYBMUJFWSA-N 0 0 338.363 2.580 50 0 biogenic EFAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCc3ccccc31)C(=O)C2 ZINC000005304456 471498666 /nfs/dbraw/zinc/49/86/66/471498666.db2.gz LOXVKOCAVQTELE-RDTXWAMCSA-N 0 0 333.453 2.774 50 0 EFAARN O=C(CCc1ccccc1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005314754 471498876 /nfs/dbraw/zinc/49/88/76/471498876.db2.gz GQKGXDOHPXOPON-UHFFFAOYSA-N 0 0 344.436 2.798 50 0 EFAARN CCc1nn2c(nc(C)cc2NCCOCCO)c1-c1ccccc1 ZINC000005321465 471499051 /nfs/dbraw/zinc/49/90/51/471499051.db2.gz BVZVHLJQJLDMBS-UHFFFAOYSA-N 0 0 340.427 2.688 50 0 EFAARN Cc1cccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000005339205 471499875 /nfs/dbraw/zinc/49/98/75/471499875.db2.gz PHAZXEHRHULQRD-UHFFFAOYSA-N 0 0 330.409 2.787 50 0 EFAARN O=C1CCCN1c1cccc(NS(=O)(=O)CCc2ccccc2)c1 ZINC000005329502 471500164 /nfs/dbraw/zinc/50/01/64/471500164.db2.gz BVIBGFHSUHHRRP-UHFFFAOYSA-N 0 0 344.436 2.798 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccc(OC)cc3c2C)C1 ZINC000005347343 471500917 /nfs/dbraw/zinc/50/09/17/471500917.db2.gz 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/nfs/dbraw/zinc/50/56/55/471505655.db2.gz XRHBFVABXSWBQV-UHFFFAOYSA-N 0 0 344.864 2.752 50 0 EFAARN CCc1c(C)sc(NC(=O)Cc2ccc(OC)cc2)c1C(N)=O ZINC000005477127 471507827 /nfs/dbraw/zinc/50/78/27/471507827.db2.gz PEYDDJPICATZTL-UHFFFAOYSA-N 0 0 332.425 2.908 50 0 EFAARN CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccc(O)c3)cc2C1=O ZINC000005481740 471508366 /nfs/dbraw/zinc/50/83/66/471508366.db2.gz YZBYXZSBLONPSA-UHFFFAOYSA-N 0 0 338.363 2.897 50 0 EFAARN COCCNC(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 ZINC000005521688 471509496 /nfs/dbraw/zinc/50/94/96/471509496.db2.gz GNETZARPIYPMDY-UHFFFAOYSA-N 0 0 328.412 2.919 50 0 EFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000005529200 471509861 /nfs/dbraw/zinc/50/98/61/471509861.db2.gz QMKGDCOSKKSDNP-YJBOKZPZSA-N 0 0 342.395 2.712 50 0 EFAARN CCOC(=O)COc1c(OC)ccc2c3c(c(=O)oc21)CCCC3 ZINC000005547397 471510361 /nfs/dbraw/zinc/51/03/61/471510361.db2.gz FEEIOJHHQYGOAZ-UHFFFAOYSA-N 0 0 332.352 2.622 50 0 EFAARN O=C(Nc1ccc(I)cc1)c1n[nH]cc1Cl ZINC000005642378 471514915 /nfs/dbraw/zinc/51/49/15/471514915.db2.gz AIFANFXKMPETEE-UHFFFAOYSA-N 0 0 347.543 2.920 50 0 EFAARN O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)Nc1cccc(O)c1 ZINC000005757069 471519636 /nfs/dbraw/zinc/51/96/36/471519636.db2.gz YLOXJGLMUMGKQL-JYRVWZFOSA-N 0 0 344.348 2.660 50 0 EFAARN O=C(c1cc2c(s1)CCCC2)N1CCN(c2ccccn2)CC1 ZINC000005778102 471520644 /nfs/dbraw/zinc/52/06/44/471520644.db2.gz BKLVCIRMZMVXDC-UHFFFAOYSA-N 0 0 327.453 2.984 50 0 EFAARN O=c1c(Cc2ccccc2)c(O)ccn1Cc1ccc2c(c1)OCO2 ZINC000005769220 471520681 /nfs/dbraw/zinc/52/06/81/471520681.db2.gz HRFKBEFEAUPROH-UHFFFAOYSA-N 0 0 335.359 2.922 50 0 EFAARN Cc1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 ZINC000005815372 471521895 /nfs/dbraw/zinc/52/18/95/471521895.db2.gz VKLBKCWGHWSRMT-UHFFFAOYSA-N 0 0 340.489 2.558 50 0 EFAARN COC(=O)c1cn(S(=O)(=O)c2ccc(F)cc2)c2ccccc12 ZINC000005879599 471524674 /nfs/dbraw/zinc/52/46/74/471524674.db2.gz JHWXCDQOPOTUPB-UHFFFAOYSA-N 0 0 333.340 2.804 50 0 EFAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NC1CCCCC1 ZINC000005902335 471525663 /nfs/dbraw/zinc/52/56/63/471525663.db2.gz FRSBAONCFYXQEJ-UHFFFAOYSA-N 0 0 343.452 2.978 50 0 EFAARN Cc1cccc(-c2nc3s/c(=C/c4cccs4)c(=O)n3n2)c1 ZINC000006202402 471535502 /nfs/dbraw/zinc/53/55/02/471535502.db2.gz AVBFAXWCEHTLEC-UKTHLTGXSA-N 0 0 325.418 2.736 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCC1 ZINC000006271423 471538645 /nfs/dbraw/zinc/53/86/45/471538645.db2.gz XVNFDIFWZNGDAO-UHFFFAOYSA-N 0 0 336.457 2.990 50 0 EFAARN CCOc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1 ZINC000006355795 471542054 /nfs/dbraw/zinc/54/20/54/471542054.db2.gz SZTGLHSGCTXYHL-UHFFFAOYSA-N 0 0 331.343 2.698 50 0 EFAARN CC1=NN(C(=O)CSCc2ccc(F)cc2)[C@@](O)(C(F)F)C1 ZINC000006395208 471543470 /nfs/dbraw/zinc/54/34/70/471543470.db2.gz GHOBHIHAVAKFLH-AWEZNQCLSA-N 0 0 332.347 2.621 50 0 EFAARN Cc1cc(C)n(CCCNC(=S)Nc2ccc3c(c2)OCCO3)n1 ZINC000006399997 471543498 /nfs/dbraw/zinc/54/34/98/471543498.db2.gz PYQASZVDPRAOOK-UHFFFAOYSA-N 0 0 346.456 2.648 50 0 EFAARN COC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000006421157 471544965 /nfs/dbraw/zinc/54/49/65/471544965.db2.gz BRUHNWZACMQCFS-UHFFFAOYSA-N 0 0 346.210 2.784 50 0 EFAARN CCCn1c(=O)c(C(=O)Nc2cc(C)ccn2)c(O)c2c1CCCC2 ZINC000006493377 471547312 /nfs/dbraw/zinc/54/73/12/471547312.db2.gz KRRMVJKBDOSBNM-UHFFFAOYSA-N 0 0 341.411 2.798 50 0 EFAARN CC[C@@H](C(=O)N1N=C(C)C[C@]1(O)C(F)F)n1nc(C)c(Cl)c1C ZINC000006554843 471551477 /nfs/dbraw/zinc/55/14/77/471551477.db2.gz OOQRVQCRHURJSX-HZMBPMFUSA-N 0 0 348.781 2.666 50 0 EFAARN CCN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)OC ZINC000006594287 471551741 /nfs/dbraw/zinc/55/17/41/471551741.db2.gz GMNAMZOKSZUHSL-UHFFFAOYSA-N 0 0 325.411 2.750 50 0 EFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1Cl ZINC000006626325 471555397 /nfs/dbraw/zinc/55/53/97/471555397.db2.gz IZMJPMLFVWOYAY-MRXNPFEDSA-N 0 0 346.814 2.924 50 0 EFAARN COc1ccccc1-c1noc(CNC(=O)c2ccccc2F)n1 ZINC000006660312 471556883 /nfs/dbraw/zinc/55/68/83/471556883.db2.gz DPNGANPQKUZNKW-UHFFFAOYSA-N 0 0 327.315 2.814 50 0 EFAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1C(C)C ZINC000006670203 471558078 /nfs/dbraw/zinc/55/80/78/471558078.db2.gz NRXPVLMKRDVHRP-HNNXBMFYSA-N 0 0 327.388 2.822 50 0 EFAARN CC(=O)N[C@@H]1c2cc(C)ccc2N(CCC(=O)c2ccccc2)C1=O ZINC000006662285 471558224 /nfs/dbraw/zinc/55/82/24/471558224.db2.gz AYTSYOAFHHPBHY-LJQANCHMSA-N 0 0 336.391 2.792 50 0 EFAARN CCC(=O)Nc1ccc2c(c1)nc(CCn1nc(C)cc1C)n2C ZINC000006665073 471558981 /nfs/dbraw/zinc/55/89/81/471558981.db2.gz LOYRVNIRYRQGKK-UHFFFAOYSA-N 0 0 325.416 2.978 50 0 EFAARN O=C(Nc1ccc2c[nH]nc2c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000006664490 471559019 /nfs/dbraw/zinc/55/90/19/471559019.db2.gz KPPANWBMZAMALF-UHFFFAOYSA-N 0 0 333.351 2.684 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CC)o2)cc1 ZINC000006698053 471559865 /nfs/dbraw/zinc/55/98/65/471559865.db2.gz ZGHBWQMLYGBBKF-UHFFFAOYSA-N 0 0 335.385 2.540 50 0 EFAARN C[C@@H](NC(=O)COc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000006700223 471560896 /nfs/dbraw/zinc/56/08/96/471560896.db2.gz OTPNPJIEBQCWGN-ZWNOBZJWSA-N 0 0 328.206 2.512 50 0 EFAARN CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)n1C ZINC000006702545 471560940 /nfs/dbraw/zinc/56/09/40/471560940.db2.gz QLJWRYGOKZBXOR-UHFFFAOYSA-N 0 0 340.836 2.770 50 0 EFAARN C[C@@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000006702712 471561324 /nfs/dbraw/zinc/56/13/24/471561324.db2.gz AWPZCMWLHSSECL-OAHLLOKOSA-N 0 0 343.448 2.969 50 0 EFAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(-n2cnnc2)c1 ZINC000006702770 471561329 /nfs/dbraw/zinc/56/13/29/471561329.db2.gz PADUUDDWPLUTED-UHFFFAOYSA-N 0 0 326.787 2.893 50 0 EFAARN Cc1cccc(C[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000006703872 471561655 /nfs/dbraw/zinc/56/16/55/471561655.db2.gz STUYLSGEZFAEPX-MRXNPFEDSA-N 0 0 337.375 2.842 50 0 EFAARN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006706491 471562006 /nfs/dbraw/zinc/56/20/06/471562006.db2.gz HWGXTUNOUKIFBH-UHFFFAOYSA-N 0 0 326.324 2.724 50 0 EFAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(C)=O ZINC000006703672 471562114 /nfs/dbraw/zinc/56/21/14/471562114.db2.gz OHHFYUWWUOECEQ-UHFFFAOYSA-N 0 0 334.397 2.845 50 0 EFAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000006706810 471562124 /nfs/dbraw/zinc/56/21/24/471562124.db2.gz YWXZBLBFABJQIB-UHFFFAOYSA-N 0 0 345.424 2.856 50 0 EFAARN Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c32)cc1 ZINC000006718642 471562384 /nfs/dbraw/zinc/56/23/84/471562384.db2.gz IKLGYJACVCXYIL-UHFFFAOYSA-N 0 0 342.374 2.524 50 0 in-vitro EFAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1 ZINC000006703941 471562506 /nfs/dbraw/zinc/56/25/06/471562506.db2.gz OGHPWGQYQZTHEG-UHFFFAOYSA-N 0 0 326.787 2.893 50 0 EFAARN CNS(=O)(=O)c1ccc(NC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000006729997 471563206 /nfs/dbraw/zinc/56/32/06/471563206.db2.gz LGGSTXUGJOPYNI-UHFFFAOYSA-N 0 0 332.425 2.772 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccco1 ZINC000006727582 471563328 /nfs/dbraw/zinc/56/33/28/471563328.db2.gz OBWLEYFWODWKKX-UHFFFAOYSA-N 0 0 330.369 2.512 50 0 EFAARN CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000006731432 471564189 /nfs/dbraw/zinc/56/41/89/471564189.db2.gz WHSDKOWMVJBIAN-UHFFFAOYSA-N 0 0 339.233 2.955 50 0 EFAARN CCn1c(SCC(N)=O)nnc1-c1ccc(OCC(C)C)cc1 ZINC000006741390 471564362 /nfs/dbraw/zinc/56/43/62/471564362.db2.gz ZBWCAQKKCPSJAC-UHFFFAOYSA-N 0 0 334.445 2.577 50 0 EFAARN COc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1C(C)C ZINC000006744373 471565583 /nfs/dbraw/zinc/56/55/83/471565583.db2.gz NLYHRUDCRPSTNU-CYBMUJFWSA-N 0 0 327.446 2.584 50 0 EFAARN COc1ccc(-c2nn3c(nnc(-c4ccccc4)c3=O)s2)cc1 ZINC000006758777 471566956 /nfs/dbraw/zinc/56/69/56/471566956.db2.gz BOTVKXLBUBHIRP-UHFFFAOYSA-N 0 0 336.376 2.889 50 0 EFAARN CCCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCC)cc1 ZINC000006779060 471568168 /nfs/dbraw/zinc/56/81/68/471568168.db2.gz VEMUXVZYCSVXOY-OAHLLOKOSA-N 0 0 334.441 2.831 50 0 EFAARN CCn1ncc(C2=NO[C@@H](C(=O)N3CCCc4ccccc43)C2)c1C ZINC000006804878 471570912 /nfs/dbraw/zinc/57/09/12/471570912.db2.gz MMOJGPDIZPBLLI-GOSISDBHSA-N 0 0 338.411 2.684 50 0 EFAARN Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000006806375 471571075 /nfs/dbraw/zinc/57/10/75/471571075.db2.gz LTRLDUKSKWRSME-UHFFFAOYSA-N 0 0 341.392 2.901 50 0 EFAARN O=C(c1ccccc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000006811011 471572187 /nfs/dbraw/zinc/57/21/87/471572187.db2.gz RWRNAUIGGQZEOJ-INIZCTEOSA-N 0 0 347.411 2.655 50 0 EFAARN COc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000006887412 471576491 /nfs/dbraw/zinc/57/64/91/471576491.db2.gz IRJKWWGJOBHMPK-UHFFFAOYSA-N 0 0 329.381 2.682 50 0 EFAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000006882223 471576516 /nfs/dbraw/zinc/57/65/16/471576516.db2.gz FFPJTAMUABWNFF-OAHLLOKOSA-N 0 0 335.407 2.534 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000007306024 471605044 /nfs/dbraw/zinc/60/50/44/471605044.db2.gz XQEFOPYWEZMHKA-GFCCVEGCSA-N 0 0 330.409 2.785 50 0 EFAARN CC(C)c1cc(=O)[nH]c(SCC(=O)N[C@H](C)c2ccccc2)n1 ZINC000007343020 471606618 /nfs/dbraw/zinc/60/66/18/471606618.db2.gz PTFJUYYDFTYGTJ-GFCCVEGCSA-N 0 0 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CCOC(=O)CCC(=O)Nc1cccc(-c2cnc3n2CCC3)c1 ZINC000086071839 472272626 /nfs/dbraw/zinc/27/26/26/472272626.db2.gz JCODNAJBLULYDL-UHFFFAOYSA-N 0 0 327.384 2.778 50 0 EFAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccco1 ZINC000043983021 472277180 /nfs/dbraw/zinc/27/71/80/472277180.db2.gz SNFFLKZAUFVAND-UHFFFAOYSA-N 0 0 328.368 2.920 50 0 EFAARN O=C(NCCc1ccccc1)NCC1CCN(c2ccccn2)CC1 ZINC000043976440 472277272 /nfs/dbraw/zinc/27/72/72/472277272.db2.gz FSMORGRBMXQRLS-UHFFFAOYSA-N 0 0 338.455 2.840 50 0 EFAARN Cc1nc(SCc2nc(-c3ccc(F)cc3)no2)[nH]c(=O)c1C ZINC000044169004 472288328 /nfs/dbraw/zinc/28/83/28/472288328.db2.gz SUTXKUPUXZYOAX-UHFFFAOYSA-N 0 0 332.360 2.868 50 0 EFAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000029677212 472288389 /nfs/dbraw/zinc/28/83/89/472288389.db2.gz BSRLJIZIYLWQOP-CYBMUJFWSA-N 0 0 342.370 2.713 50 0 EFAARN CC(C)n1cc2c(=O)[nH]nc-2c(C(=O)NCc2ccccc2Cl)c1 ZINC000044213595 472290072 /nfs/dbraw/zinc/29/00/72/472290072.db2.gz DWMRVLMUZWXSPT-UHFFFAOYSA-N 0 0 344.802 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472414661 /nfs/dbraw/zinc/41/46/61/472414661.db2.gz XKHCTBJEWJRTLP-UHFFFAOYSA-N 0 0 349.818 2.595 50 0 EFAARN Cc1csc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000032103200 472415538 /nfs/dbraw/zinc/41/55/38/472415538.db2.gz HLWQLUOIOQZCSE-LBPRGKRZSA-N 0 0 344.396 2.570 50 0 EFAARN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000069743794 472418243 /nfs/dbraw/zinc/41/82/43/472418243.db2.gz WNIHAFRVTXASBN-XJKSGUPXSA-N 0 0 344.459 2.571 50 0 EFAARN CSC1=N[C@@H](NCCCO)c2c3c(sc2N1)COC(C)(C)C3 ZINC000032307905 472423018 /nfs/dbraw/zinc/42/30/18/472423018.db2.gz PEOVEFUTTKNYHF-GFCCVEGCSA-N 0 0 341.502 2.524 50 0 EFAARN O=C(Nc1nc[nH]n1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000045578466 472429625 /nfs/dbraw/zinc/42/96/25/472429625.db2.gz WIFHJRPZKYYQEU-UHFFFAOYSA-N 0 0 330.351 2.910 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(F)ccc1F ZINC000057472263 472442445 /nfs/dbraw/zinc/44/24/45/472442445.db2.gz ZSZLJROGHYACJN-UHFFFAOYSA-N 0 0 349.289 2.547 50 0 EFAARN COc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)c1 ZINC000057472028 472442663 /nfs/dbraw/zinc/44/26/63/472442663.db2.gz VDPWJJALBJMOEP-UHFFFAOYSA-N 0 0 325.364 2.750 50 0 EFAARN COc1cccc2ccc(N3CCN(Cc4cccnc4)CC3)nc21 ZINC000032520348 472442699 /nfs/dbraw/zinc/44/26/99/472442699.db2.gz HIAIJFAJHQWEAV-UHFFFAOYSA-N 0 0 334.423 2.961 50 0 EFAARN COc1ccc2[nH]c(Cn3cnc4cc(Cl)ccc4c3=O)nc2c1 ZINC000032561793 472443336 /nfs/dbraw/zinc/44/33/36/472443336.db2.gz HBKBYXIAUQSICT-UHFFFAOYSA-N 0 0 340.770 2.983 50 0 EFAARN CSCCc1nc(Cn2cnc(C)c2C)n(-c2cccc(C)n2)n1 ZINC000097098842 472445101 /nfs/dbraw/zinc/44/51/01/472445101.db2.gz HEFVRMYGDJXPKD-UHFFFAOYSA-N 0 0 342.472 2.738 50 0 EFAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccnn1Cc1ccco1 ZINC000032593309 472445445 /nfs/dbraw/zinc/44/54/45/472445445.db2.gz CRYIBFZQEWXBCJ-CYBMUJFWSA-N 0 0 341.367 2.939 50 0 EFAARN O=C(Cn1cnc2c3ccccc3sc2c1=O)NC1CCCC1 ZINC000057507934 472446639 /nfs/dbraw/zinc/44/66/39/472446639.db2.gz NWOOQDGLAIJSLR-UHFFFAOYSA-N 0 0 327.409 2.670 50 0 EFAARN 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472716120 /nfs/dbraw/zinc/71/61/20/472716120.db2.gz RAVAUINOBDYDOR-UHFFFAOYSA-N 0 0 341.392 2.504 50 0 EFAARN COc1ccc(C(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc1 ZINC000061718847 472716129 /nfs/dbraw/zinc/71/61/29/472716129.db2.gz DPJHWDTUMQGXKW-UHFFFAOYSA-N 0 0 338.338 2.941 50 0 EFAARN O=C(N1CCC(c2ccccc2)CC1)C1(n2cnnn2)CCCCC1 ZINC000061721729 472716140 /nfs/dbraw/zinc/71/61/40/472716140.db2.gz PMWBWBATIAOWSX-UHFFFAOYSA-N 0 0 339.443 2.739 50 0 EFAARN CC(C)NC(=O)N(C)Cc1nc2cc(NC(=O)C(C)C)ccc2n1C ZINC000061720325 472716349 /nfs/dbraw/zinc/71/63/49/472716349.db2.gz VDBOZFKBOBZUMP-UHFFFAOYSA-N 0 0 345.447 2.718 50 0 EFAARN CC(C)CC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000061719508 472716375 /nfs/dbraw/zinc/71/63/75/472716375.db2.gz KVVIZLJPRBYRIE-UHFFFAOYSA-N 0 0 327.428 2.935 50 0 EFAARN O=C(Nc1ccc(-n2cnc(Cl)c2Cl)nc1)[C@H]1CCCO1 ZINC000061719574 472716399 /nfs/dbraw/zinc/71/63/99/472716399.db2.gz MUHMMBHGLQLAOV-SECBINFHSA-N 0 0 327.171 2.692 50 0 EFAARN Cc1csc2ncc(C(=O)NCCSc3ccccc3)c(=O)n12 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327.310 2.981 50 0 EFAARN CCCCc1nc(C2CCN(c3ccc(Cl)nn3)CC2)cc(=O)[nH]1 ZINC000063856746 472821138 /nfs/dbraw/zinc/82/11/38/472821138.db2.gz YLFXVNNIUGPXGT-UHFFFAOYSA-N 0 0 347.850 2.940 50 0 EFAARN Cc1cc(C)n(CCNC(=O)c2c(C)c(C)cc(C)c2C)c(=O)n1 ZINC000063884893 472824619 /nfs/dbraw/zinc/82/46/19/472824619.db2.gz PMGIRTMDFKTXEQ-UHFFFAOYSA-N 0 0 327.428 2.524 50 0 EFAARN Cc1ccccc1OCCNC(=O)c1ccc(N2CCOCC2)cc1 ZINC000063939064 472827129 /nfs/dbraw/zinc/82/71/29/472827129.db2.gz CNCZYQRLJHNMGA-UHFFFAOYSA-N 0 0 340.423 2.640 50 0 EFAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccnc1 ZINC000079191516 472830550 /nfs/dbraw/zinc/83/05/50/472830550.db2.gz JHJBEIHMTYMXNT-PBHICJAKSA-N 0 0 337.331 2.644 50 0 biogenic EFAARN Cc1cc(C)n(CCNC(=O)Nc2nnc(-c3ccccc3)s2)n1 ZINC000048234092 472835935 /nfs/dbraw/zinc/83/59/35/472835935.db2.gz GHUYBZWJVXDDPY-UHFFFAOYSA-N 0 0 342.428 2.840 50 0 EFAARN O=C(c1ccccn1)N1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000092022499 472844748 /nfs/dbraw/zinc/84/47/48/472844748.db2.gz 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Cc1ccccc1[C@@]1(O)CCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000065370668 472928730 /nfs/dbraw/zinc/92/87/30/472928730.db2.gz MWVVVIKJJLFDID-OAQYLSRUSA-N 0 0 349.434 2.695 50 0 EFAARN Cc1cn2cc(CNC(=O)[C@H](c3cccc(C)c3)N(C)C)nc2s1 ZINC000065376120 472929606 /nfs/dbraw/zinc/92/96/06/472929606.db2.gz WYDFPGGBFNXSOL-INIZCTEOSA-N 0 0 342.468 2.932 50 0 EFAARN Cc1cccc([C@@H](C(=O)N(Cc2nccn2C)C2CC2)N(C)C)c1 ZINC000065374802 472929773 /nfs/dbraw/zinc/92/97/73/472929773.db2.gz ZMFGRLWMJUEDQT-SFHVURJKSA-N 0 0 326.444 2.522 50 0 EFAARN O=C1C[C@@H](c2nc3c(s2)CCCC3)c2c(nc3sccn32)CN1 ZINC000065387981 472930912 /nfs/dbraw/zinc/93/09/12/472930912.db2.gz PFPAKVGXCLRSLQ-SECBINFHSA-N 0 0 344.465 2.883 50 0 EFAARN CCCc1cnc(C)nc1N1CCN(Cc2nccn2C(C)C)CC1 ZINC000065386012 472931011 /nfs/dbraw/zinc/93/10/11/472931011.db2.gz DITXYBLPJLVPPJ-UHFFFAOYSA-N 0 0 342.491 2.837 50 0 EFAARN Cc1cc(C(F)(F)F)n(C[C@H](C)Cn2cc3[nH]cccc-3c2=O)n1 ZINC000065384126 472931113 /nfs/dbraw/zinc/93/11/13/472931113.db2.gz 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/nfs/dbraw/zinc/93/35/79/472933579.db2.gz JNUWYVDFAUNGNZ-IBGZPJMESA-N 0 0 326.444 2.940 50 0 EFAARN C[C@H](C(=O)NCc1ccccc1Cn1cccn1)n1cc(Cl)cn1 ZINC000065398450 472934129 /nfs/dbraw/zinc/93/41/29/472934129.db2.gz VPXBZBYERSPMIH-CYBMUJFWSA-N 0 0 343.818 2.659 50 0 EFAARN Cc1cc2c(c(C)c1)[C@H](CC(=O)NCCc1ncccc1C)C(=O)N2 ZINC000065398361 472934183 /nfs/dbraw/zinc/93/41/83/472934183.db2.gz MNEXFIUKEWMBQU-HNNXBMFYSA-N 0 0 337.423 2.792 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3onc(C)c32)cc1Cn1cccn1 ZINC000065398000 472934412 /nfs/dbraw/zinc/93/44/12/472934412.db2.gz TZUVGILKZOZGFH-AWEZNQCLSA-N 0 0 338.367 2.711 50 0 EFAARN CCC[C@H](C)C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000065398620 472934554 /nfs/dbraw/zinc/93/45/54/472934554.db2.gz SPORIQOFKMFJIZ-AWEZNQCLSA-N 0 0 340.427 2.914 50 0 EFAARN Nc1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065404906 472934964 /nfs/dbraw/zinc/93/49/64/472934964.db2.gz CAIOXGCHDIOQRH-RBUKOAKNSA-N 0 0 347.418 2.808 50 0 EFAARN Cc1ccc(-c2ccc(C(=O)NCCSc3nncn3C)cc2)o1 ZINC000065404333 472935304 /nfs/dbraw/zinc/93/53/04/472935304.db2.gz BDAHCYGHBDZIBI-UHFFFAOYSA-N 0 0 342.424 2.906 50 0 EFAARN C[C@H](c1nccs1)N(C)C(=O)c1ccccc1N1CCOCC1 ZINC000065406714 472935405 /nfs/dbraw/zinc/93/54/05/472935405.db2.gz GZSDPSBTVCBCFR-CYBMUJFWSA-N 0 0 331.441 2.813 50 0 EFAARN CCc1noc(CN(CC)C(=O)c2ccc3nc(C)c(C)nc3c2)n1 ZINC000065409075 472936688 /nfs/dbraw/zinc/93/66/88/472936688.db2.gz MSFREAFTISYHJA-UHFFFAOYSA-N 0 0 339.399 2.854 50 0 EFAARN CN(C)c1nc2c(c(N[C@H](c3nccn3C)C3CC3)n1)CCCC2 ZINC000065410585 472936905 /nfs/dbraw/zinc/93/69/05/472936905.db2.gz WYYFXTGXUPMFOD-HNNXBMFYSA-N 0 0 326.448 2.718 50 0 EFAARN Cc1nc(NC[C@@H](c2cccnc2)N2CCOCC2)cc(C(C)C)n1 ZINC000065408590 472937015 /nfs/dbraw/zinc/93/70/15/472937015.db2.gz JJWFPVGUJFOIQD-SFHVURJKSA-N 0 0 341.459 2.789 50 0 EFAARN COc1ccc(CN[C@H](C)C(=O)Nc2nccs2)c(F)c1F ZINC000065409246 472937296 /nfs/dbraw/zinc/93/72/96/472937296.db2.gz CQAPAYZYSKQJQD-MRVPVSSYSA-N 0 0 327.356 2.547 50 0 EFAARN COCc1nnc(NC(=O)CN2CCC[C@H]2c2ccccc2C)s1 ZINC000065417805 472938616 /nfs/dbraw/zinc/93/86/16/472938616.db2.gz MAVFIEACOVAPJO-AWEZNQCLSA-N 0 0 346.456 2.769 50 0 EFAARN CCc1ccc(CN2CCN(c3ncnc4ccsc43)CC2)nc1 ZINC000065418669 472939114 /nfs/dbraw/zinc/93/91/14/472939114.db2.gz GYZUXFKXEWVFJY-UHFFFAOYSA-N 0 0 339.468 2.971 50 0 EFAARN CC(C)c1nccn1[C@@H](C)C(=O)NCCc1cnc2ccccn12 ZINC000065424396 472940681 /nfs/dbraw/zinc/94/06/81/472940681.db2.gz YGTSJADCMIPTKN-AWEZNQCLSA-N 0 0 325.416 2.574 50 0 EFAARN Cc1cccc(C)c1OC1CN(CCC(=O)Nc2nccs2)C1 ZINC000065433374 472941360 /nfs/dbraw/zinc/94/13/60/472941360.db2.gz URCOFLNAMYQJDX-UHFFFAOYSA-N 0 0 331.441 2.852 50 0 EFAARN CC(C)Cc1nc(CN(C)C(=O)c2cccc(-n3cccn3)c2)no1 ZINC000065435675 472941385 /nfs/dbraw/zinc/94/13/85/472941385.db2.gz GMSAPCRIXMAFMV-UHFFFAOYSA-N 0 0 339.399 2.726 50 0 EFAARN CCc1csc(CCNC(=O)[C@@H](c2cccc(C)c2)N(C)C)n1 ZINC000065433581 472941510 /nfs/dbraw/zinc/94/15/10/472941510.db2.gz BEMSTUMTQHDNOQ-QGZVFWFLSA-N 0 0 331.485 2.976 50 0 EFAARN Cc1ccsc1[C@@H]1CCN(C(=O)c2cn3ccsc3n2)C[C@H]1O ZINC000065434105 472941577 /nfs/dbraw/zinc/94/15/77/472941577.db2.gz ZYRPZIFRYLJMLA-DGCLKSJQSA-N 0 0 347.465 2.756 50 0 EFAARN CCN(CCOc1ccc(OC)cc1)C(=O)c1cc(C)nc(C)n1 ZINC000065432600 472941856 /nfs/dbraw/zinc/94/18/56/472941856.db2.gz BJUCHZRZYJRWQY-UHFFFAOYSA-N 0 0 329.400 2.643 50 0 EFAARN O=C([O-])c1cccnc1C[N@@H+](CCO)C12CC3CC(CC(C3)C1)C2 ZINC000065434266 472941966 /nfs/dbraw/zinc/94/19/66/472941966.db2.gz KWKSQLUFBQHDCU-UHFFFAOYSA-N 0 0 330.428 2.543 50 0 EFAARN CCCn1ncc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1C ZINC000065435944 472943254 /nfs/dbraw/zinc/94/32/54/472943254.db2.gz SXEIWPFWHOYFLX-UHFFFAOYSA-N 0 0 341.337 2.649 50 0 EFAARN CCSCc1nc2c([nH]1)C(=O)NC[C@@H](c1ccccc1OC)C2 ZINC000065451144 472944417 /nfs/dbraw/zinc/94/44/17/472944417.db2.gz PBAKRVBYUXPZJV-NSHDSACASA-N 0 0 331.441 2.741 50 0 EFAARN Cc1cc(C(F)(F)F)nc(-c2nc3c([nH]2)C(=O)NCC(C)(C)C3)n1 ZINC000065456556 472945868 /nfs/dbraw/zinc/94/58/68/472945868.db2.gz OFLTVPFKOXSTAE-UHFFFAOYSA-N 0 0 339.321 2.506 50 0 EFAARN C[N@H+](Cc1ccccc1)C1CCN(Cc2ncccc2C(=O)[O-])CC1 ZINC000065453455 472946165 /nfs/dbraw/zinc/94/61/65/472946165.db2.gz OSFHMUGHTRORDD-UHFFFAOYSA-N 0 0 339.439 2.876 50 0 EFAARN CCCn1ncc2c1NC(=O)C[C@@H]2c1cc2cc(C)ccc2[nH]c1=O ZINC000065460052 472946772 /nfs/dbraw/zinc/94/67/72/472946772.db2.gz OGGDNMZEBPJJGS-CYBMUJFWSA-N 0 0 336.395 2.917 50 0 EFAARN CCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1nnc(C)o1 ZINC000065462430 472947601 /nfs/dbraw/zinc/94/76/01/472947601.db2.gz GEBWCZWIUOGLNC-UHFFFAOYSA-N 0 0 335.371 2.568 50 0 EFAARN CCS(=O)(=O)Nc1ccc(-c2n[nH]c(Cc3ccccc3)n2)cc1 ZINC000065466444 472948330 /nfs/dbraw/zinc/94/83/30/472948330.db2.gz BOPIZKQEZXIHDG-UHFFFAOYSA-N 0 0 342.424 2.824 50 0 EFAARN COC(=O)c1cccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)n1 ZINC000065465008 472948586 /nfs/dbraw/zinc/94/85/86/472948586.db2.gz PYOYASLSCMBHJE-CYBMUJFWSA-N 0 0 348.362 2.528 50 0 EFAARN CC(=O)Nc1ccc(-c2nc(C)nn2-c2ccc3c(c2)OCO3)cc1 ZINC000065470174 472949849 /nfs/dbraw/zinc/94/98/49/472949849.db2.gz GLHBQRDPMHPJNS-UHFFFAOYSA-N 0 0 336.351 2.930 50 0 EFAARN CN1CCc2ncnc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)c2C1 ZINC000065474774 472951600 /nfs/dbraw/zinc/95/16/00/472951600.db2.gz QQIJJDRADWDKOM-AWEZNQCLSA-N 0 0 348.454 2.725 50 0 EFAARN Cc1c(F)cccc1NC(=O)CN[C@H](CC(C)C)c1ncnn1C ZINC000065490452 472954183 /nfs/dbraw/zinc/95/41/83/472954183.db2.gz WCKJQJVULVRCQC-OAHLLOKOSA-N 0 0 333.411 2.578 50 0 EFAARN CO[C@@H](CNC(=O)c1cnc(-c2cccnc2)nc1)c1cccs1 ZINC000065489421 472954442 /nfs/dbraw/zinc/95/44/42/472954442.db2.gz LEDYBNALZLNDLQ-AWEZNQCLSA-N 0 0 340.408 2.718 50 0 EFAARN CCSc1nnc(NC(=O)CN2CCC[C@H]2c2ccccn2)s1 ZINC000065492604 472955458 /nfs/dbraw/zinc/95/54/58/472955458.db2.gz ZQHOLXWBSLASTO-LBPRGKRZSA-N 0 0 349.485 2.821 50 0 EFAARN Nc1nnc(CCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)s1 ZINC000065499461 472956776 /nfs/dbraw/zinc/95/67/76/472956776.db2.gz NCNQOTMTUPRBLA-ZDUSSCGKSA-N 0 0 341.440 2.730 50 0 EFAARN Cc1ncsc1CCC(=O)NCc1csc(N2CCCC2)n1 ZINC000065499431 472957061 /nfs/dbraw/zinc/95/70/61/472957061.db2.gz ZSTDTXBWZZLNIL-UHFFFAOYSA-N 0 0 336.486 2.757 50 0 EFAARN CC(C)Oc1cc(N[C@H](C)c2nncn2C2CCCC2)nc(N)n1 ZINC000065503315 472958273 /nfs/dbraw/zinc/95/82/73/472958273.db2.gz DHZPVTHJHYYRQZ-LLVKDONJSA-N 0 0 331.424 2.726 50 0 EFAARN CC(=O)NCCc1nc(CC(C)C)nn1-c1cccc2cccnc21 ZINC000065504064 472958745 /nfs/dbraw/zinc/95/87/45/472958745.db2.gz CWOOLUQZIOWXMH-UHFFFAOYSA-N 0 0 337.427 2.693 50 0 EFAARN O=C(CCNC(=O)c1ccc(F)cc1)NC1(Cc2ccccc2)CC1 ZINC000065507883 472959579 /nfs/dbraw/zinc/95/95/79/472959579.db2.gz GBZDFLWMWHGSDU-UHFFFAOYSA-N 0 0 340.398 2.837 50 0 EFAARN CN(C)c1ncnc2c1CN(Cc1coc(-c3cccs3)n1)CC2 ZINC000065514492 472962142 /nfs/dbraw/zinc/96/21/42/472962142.db2.gz ZKXQYPMGOQHMMN-UHFFFAOYSA-N 0 0 341.440 2.817 50 0 EFAARN Cc1ccccc1[C@]1(O)CCN(Cc2nc(-c3ccco3)no2)C1 ZINC000065526347 472967310 /nfs/dbraw/zinc/96/73/10/472967310.db2.gz CBKBYENAWMDUEF-SFHVURJKSA-N 0 0 325.368 2.732 50 0 EFAARN O=C([O-])[C@@H](c1ccc(O)cc1)[N@@H+]1CCCN(Cc2cccs2)CC1 ZINC000108044041 472997586 /nfs/dbraw/zinc/99/75/86/472997586.db2.gz GGCNKBABAHRKLL-QGZVFWFLSA-N 0 0 346.452 2.787 50 0 EFAARN Cc1nc(-c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)n[nH]1 ZINC000050896465 473013335 /nfs/dbraw/zinc/01/33/35/473013335.db2.gz IIFXODRJTBQBBU-UHFFFAOYSA-N 0 0 345.366 2.613 50 0 EFAARN COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)ccc1C)CC2 ZINC000074694318 473049575 /nfs/dbraw/zinc/04/95/75/473049575.db2.gz CVNIQMQHPWNHLP-UHFFFAOYSA-N 0 0 328.412 2.707 50 0 biogenic EFAARN O=C(NCc1ccc(F)cc1)NC[C@](O)(c1cccs1)C1CC1 ZINC000075155350 473140818 /nfs/dbraw/zinc/14/08/18/473140818.db2.gz LMVJTCALKBDURY-QGZVFWFLSA-N 0 0 334.416 2.984 50 0 EFAARN O=S(=O)(NC[C@H](O)c1cccs1)c1cccc2ccccc21 ZINC000075156075 473141791 /nfs/dbraw/zinc/14/17/91/473141791.db2.gz UFWTVTPZDXWWNO-AWEZNQCLSA-N 0 0 333.434 2.913 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)NC[C@@](C)(O)c2cccs2)cc1C ZINC000075156052 473141814 /nfs/dbraw/zinc/14/18/14/473141814.db2.gz SVDWKYOISFRZTN-MRXNPFEDSA-N 0 0 339.482 2.859 50 0 EFAARN COc1ccc(CCNC(=O)NC[C@](C)(O)c2cccs2)cc1 ZINC000075156104 473141824 /nfs/dbraw/zinc/14/18/24/473141824.db2.gz JDEDLTRYBUBINV-KRWDZBQOSA-N 0 0 334.441 2.506 50 0 EFAARN CCN(C(=O)c1nnn(-c2ccc(OC)cc2)n1)c1ccccc1C ZINC000075163465 473142885 /nfs/dbraw/zinc/14/28/85/473142885.db2.gz INKZSLOXJDZITA-UHFFFAOYSA-N 0 0 337.383 2.646 50 0 EFAARN COc1ccccc1-c1cc(C(=O)NCc2cnn3ccccc23)[nH]n1 ZINC000075162857 473143191 /nfs/dbraw/zinc/14/31/91/473143191.db2.gz PXJVYNKXUOBGIS-UHFFFAOYSA-N 0 0 347.378 2.663 50 0 EFAARN C[C@@H]1CCCN(C(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000075163679 473143241 /nfs/dbraw/zinc/14/32/41/473143241.db2.gz GHZZDDGXVPBENX-SNVBAGLBSA-N 0 0 339.321 2.553 50 0 EFAARN O=C(Nc1cccc(OC(F)F)c1)c1nnn(-c2ccc(F)cc2)n1 ZINC000075163602 473143609 /nfs/dbraw/zinc/14/36/09/473143609.db2.gz UIJQFHKNSOLMGH-UHFFFAOYSA-N 0 0 349.272 2.655 50 0 EFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)nn1 ZINC000075163790 473144532 /nfs/dbraw/zinc/14/45/32/473144532.db2.gz IQDYEBDCHYNZGU-UHFFFAOYSA-N 0 0 333.273 2.933 50 0 EFAARN O=C(/C=C/c1ccccc1)NCCNc1cc(-n2cccc2)ncn1 ZINC000075172252 473145561 /nfs/dbraw/zinc/14/55/61/473145561.db2.gz ZEAUEHCEVXECCK-CMDGGOBGSA-N 0 0 333.395 2.509 50 0 EFAARN O=C(CCNC(=O)c1ccc(F)cc1)Nc1nc2c(s1)CCCC2 ZINC000052939222 473167201 /nfs/dbraw/zinc/16/72/01/473167201.db2.gz QOHYNRKTFIVSLX-UHFFFAOYSA-N 0 0 347.415 2.920 50 0 EFAARN Cc1noc(C)c1CCCNC(=O)[C@@H](c1ccccc1C)N(C)C ZINC000095362165 473190357 /nfs/dbraw/zinc/19/03/57/473190357.db2.gz HXDZPLVXSMYOPN-GOSISDBHSA-N 0 0 329.444 2.952 50 0 EFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](c1ccc(C)cc1)N(C)C ZINC000095361588 473190545 /nfs/dbraw/zinc/19/05/45/473190545.db2.gz JLLQWBQLWUQHLL-SFHVURJKSA-N 0 0 328.460 2.639 50 0 EFAARN O=C([O-])c1ccc([C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)cc1 ZINC000095382420 473193570 /nfs/dbraw/zinc/19/35/70/473193570.db2.gz NAAVZPRDWIHTOG-KRWDZBQOSA-N 0 0 330.428 2.577 50 0 EFAARN 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ZINC000534586264 478161469 /nfs/dbraw/zinc/16/14/69/478161469.db2.gz OIAVOUKPBIJVAR-UHFFFAOYSA-N 0 0 339.443 2.649 50 0 EFAARN CCn1cc(CNC(=O)N2CC[C@H](Oc3ccccc3)C2)c(C)n1 ZINC000534631811 478163375 /nfs/dbraw/zinc/16/33/75/478163375.db2.gz ULFRDLRMJFLOKJ-KRWDZBQOSA-N 0 0 328.416 2.574 50 0 EFAARN Cc1noc(C)c1CNC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000534640828 478164215 /nfs/dbraw/zinc/16/42/15/478164215.db2.gz FCSAQGQDHPCCDI-UHFFFAOYSA-N 0 0 344.415 2.577 50 0 EFAARN CCn1cc(CNC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)c(C)n1 ZINC000534641486 478164769 /nfs/dbraw/zinc/16/47/69/478164769.db2.gz BSLCMCBSYMDMDQ-AWEZNQCLSA-N 0 0 329.448 2.687 50 0 EFAARN Cc1c[nH]c([C@@H](C)NS(=O)(=O)c2cc(C)cc3cccnc32)n1 ZINC000534648621 478165746 /nfs/dbraw/zinc/16/57/46/478165746.db2.gz JOCKEOCHIFSSDJ-GFCCVEGCSA-N 0 0 330.413 2.614 50 0 EFAARN CCCOc1ccccc1[C@H](C)NC(=O)N1CCCN(C(C)=O)CC1 ZINC000534651202 478165840 /nfs/dbraw/zinc/16/58/40/478165840.db2.gz BRSIQBKOTOZSNR-HNNXBMFYSA-N 0 0 347.459 2.800 50 0 EFAARN O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2cnn(CC3CC3)c2)c1 ZINC000534650007 478166318 /nfs/dbraw/zinc/16/63/18/478166318.db2.gz MUBJFQYTSNNPII-WGSAOQKQSA-N 0 0 339.439 2.993 50 0 EFAARN Cc1c[nH]c([C@@H](C)NC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)n1 ZINC000534650563 478166456 /nfs/dbraw/zinc/16/64/56/478166456.db2.gz HNJIATMCHPDYEK-CYBMUJFWSA-N 0 0 340.427 2.803 50 0 EFAARN O=C(NCCn1ccnn1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000534662657 478166785 /nfs/dbraw/zinc/16/67/85/478166785.db2.gz UOAYXGYHHYLACM-UHFFFAOYSA-N 0 0 332.835 2.950 50 0 EFAARN Cc1cccc(CN2CCN(C(=O)NC3(C(C)C)CC3)[C@H](C)C2=O)c1 ZINC000534660291 478167308 /nfs/dbraw/zinc/16/73/08/478167308.db2.gz YBHMNNNIUFAQAZ-MRXNPFEDSA-N 0 0 343.471 2.926 50 0 EFAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCc2[nH]cnc2C1 ZINC000534660328 478167365 /nfs/dbraw/zinc/16/73/65/478167365.db2.gz BUNXUSCBCQXTNE-HNNXBMFYSA-N 0 0 326.400 2.564 50 0 EFAARN CCc1nc(CCNC(=O)c2cc3ccccc3n(C)c2=O)cs1 ZINC000534664663 478167464 /nfs/dbraw/zinc/16/74/64/478167464.db2.gz IWRFCDVMIFXPAP-UHFFFAOYSA-N 0 0 341.436 2.530 50 0 EFAARN O=C(Cc1ccccc1C(F)(F)F)NCc1nc(C2CC2)no1 ZINC000534664733 478168136 /nfs/dbraw/zinc/16/81/36/478168136.db2.gz LOFDMVQEZLZUGH-UHFFFAOYSA-N 0 0 325.290 2.825 50 0 EFAARN Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)ccn1C ZINC000534664709 478168285 /nfs/dbraw/zinc/16/82/85/478168285.db2.gz UILLJPGOZZUFID-MRXNPFEDSA-N 0 0 329.419 2.867 50 0 EFAARN CCC[C@@H](NC(=O)Cc1ccc2[nH]c(C)nc2c1)c1nccn1C ZINC000534673113 478168339 /nfs/dbraw/zinc/16/83/39/478168339.db2.gz GTSDIYAMRZQLAR-OAHLLOKOSA-N 0 0 325.416 2.805 50 0 EFAARN COCC(C)(C)CNC(=O)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000534665456 478168396 /nfs/dbraw/zinc/16/83/96/478168396.db2.gz SGRCQYLMERAGCT-UHFFFAOYSA-N 0 0 332.444 2.683 50 0 EFAARN CCn1ncc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C(=O)[O-] ZINC000534666220 478168560 /nfs/dbraw/zinc/16/85/60/478168560.db2.gz UAVFBCPKDHCAGD-CYBMUJFWSA-N 0 0 329.400 2.661 50 0 EFAARN Cn1nc(-c2ccc(C(=O)N3CCCCCCC3)cc2)ccc1=O ZINC000534674623 478168746 /nfs/dbraw/zinc/16/87/46/478168746.db2.gz JWJBAVZFTYCLTI-UHFFFAOYSA-N 0 0 325.412 2.854 50 0 EFAARN CN(C[C@@H]1CCCO1)C(=O)NCc1nn(C)c2cccc(Cl)c12 ZINC000534674626 478168830 /nfs/dbraw/zinc/16/88/30/478168830.db2.gz RZMHVJNRPAZQBQ-NSHDSACASA-N 0 0 336.823 2.547 50 0 EFAARN O=c1oc2ccccc2c2c1[C@H](c1ccc(O)cc1)C1=CNNC1=N2 ZINC000524729701 478389034 /nfs/dbraw/zinc/38/90/34/478389034.db2.gz FJJIDXCIAKDPSV-OAHLLOKOSA-N 0 0 331.331 2.666 50 0 biogenic EFAARN CC(C)c1nnc2ccc(SCC(=O)Nc3ccccc3)nn21 ZINC000524732518 478389772 /nfs/dbraw/zinc/38/97/72/478389772.db2.gz LLACFYZWYFXHMQ-UHFFFAOYSA-N 0 0 327.413 2.979 50 0 EFAARN COC(=O)CC1CCN(C(=O)[C@@H](c2ccccc2)n2cccc2)CC1 ZINC000524734169 478390206 /nfs/dbraw/zinc/39/02/06/478390206.db2.gz FHPSYVMQGWIXFH-LJQANCHMSA-N 0 0 340.423 2.879 50 0 EFAARN COc1ccc(NC(=O)CCn2cccc2)cc1-c1nnc(C)o1 ZINC000524734847 478390699 /nfs/dbraw/zinc/39/06/99/478390699.db2.gz RJFYTKVCEZLTRE-UHFFFAOYSA-N 0 0 326.356 2.884 50 0 EFAARN Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(Cl)nc2)c1C ZINC000524735147 478390937 /nfs/dbraw/zinc/39/09/37/478390937.db2.gz ZCPOLDQJDIKTST-UHFFFAOYSA-N 0 0 334.792 2.641 50 0 EFAARN Cc1nccn1CCNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524732736 478391018 /nfs/dbraw/zinc/39/10/18/478391018.db2.gz YHDZGZREVDPGDK-INIZCTEOSA-N 0 0 328.441 2.850 50 0 EFAARN Cc1c(OCC(=O)Nc2ccccn2)c(=O)ccn1CCC(C)C ZINC000524735337 478391099 /nfs/dbraw/zinc/39/10/99/478391099.db2.gz UDZNASXCAQVRIK-UHFFFAOYSA-N 0 0 329.400 2.615 50 0 EFAARN COc1ccc(NC(=O)c2c(OC)cc(=O)n3c2CCCC3)cc1F ZINC000583648786 478905452 /nfs/dbraw/zinc/90/54/52/478905452.db2.gz NPCACTGTKNDWLR-UHFFFAOYSA-N 0 0 346.358 2.593 50 0 EFAARN Cc1cccc(NC(=O)c2ncn(C[C@@H](O)c3ccc(F)cc3)n2)c1 ZINC000583649814 478905484 /nfs/dbraw/zinc/90/54/84/478905484.db2.gz XFRFDBILDKGUQB-MRXNPFEDSA-N 0 0 340.358 2.712 50 0 EFAARN Cc1ccc(NC(=O)c2ncn(C[C@H](O)c3ccccc3)n2)cc1C ZINC000583649824 478906741 /nfs/dbraw/zinc/90/67/41/478906741.db2.gz XLZZYXOOYIHDIP-KRWDZBQOSA-N 0 0 336.395 2.881 50 0 EFAARN Cc1cccc(C)c1OCCNC(=O)N1CC(c2ccncc2)C1 ZINC000584887710 479270712 /nfs/dbraw/zinc/27/07/12/479270712.db2.gz FCEOZQUBEWOTBD-UHFFFAOYSA-N 0 0 325.412 2.886 50 0 EFAARN COc1ncnc(C)c1-c1cccc(C(=O)NC[C@]2(C)CCCO2)c1 ZINC000584885016 479270727 /nfs/dbraw/zinc/27/07/27/479270727.db2.gz RZAGHUORBVXCSB-IBGZPJMESA-N 0 0 341.411 2.760 50 0 EFAARN Cc1cnc(Cn2cnc3sc4c(c3c2=O)CCCCC4)cn1 ZINC000584887241 479271287 /nfs/dbraw/zinc/27/12/87/479271287.db2.gz QGSRJOSSKBSHBY-UHFFFAOYSA-N 0 0 326.425 2.874 50 0 EFAARN CCc1noc(CCNC(=O)c2cc3cccc(Cl)c3n2C)n1 ZINC000584886214 479271588 /nfs/dbraw/zinc/27/15/88/479271588.db2.gz PBMZXLHRRKHZEK-UHFFFAOYSA-N 0 0 332.791 2.750 50 0 EFAARN Cc1n[nH]c(CCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1C ZINC000584892273 479272208 /nfs/dbraw/zinc/27/22/08/479272208.db2.gz FJVFYZPRXBIKAP-UHFFFAOYSA-N 0 0 339.399 2.668 50 0 EFAARN CO[C@H](C)c1nc(COc2cccc(Cl)c2)nn1CCCO ZINC000584892778 479273937 /nfs/dbraw/zinc/27/39/37/479273937.db2.gz WVCWFNDQTNTTHE-LLVKDONJSA-N 0 0 325.796 2.600 50 0 EFAARN CCCCN(Cc1sccc1C)C(=O)N[C@H]1COC[C@@H]1OC ZINC000584894659 479274245 /nfs/dbraw/zinc/27/42/45/479274245.db2.gz HOJODPLACOUCKB-KBPBESRZSA-N 0 0 326.462 2.782 50 0 EFAARN Cc1cnn([C@H](C)C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000584895637 479274706 /nfs/dbraw/zinc/27/47/06/479274706.db2.gz KRKYBPMALICQEE-CQSZACIVSA-N 0 0 325.416 2.904 50 0 EFAARN CCc1nc(C)sc1CNC(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000584898578 479275159 /nfs/dbraw/zinc/27/51/59/479275159.db2.gz KGUCQGPLPNXOMH-CQSZACIVSA-N 0 0 347.488 2.832 50 0 EFAARN CN1CC[C@@H](n2cnc3cc(-c4ccccc4)sc3c2=O)C1=O ZINC000584898692 479275237 /nfs/dbraw/zinc/27/52/37/479275237.db2.gz PTVXXWNGOMHUGL-CYBMUJFWSA-N 0 0 325.393 2.528 50 0 EFAARN Cc1cc(C)n([C@H](C)CNC(=O)N2CCC3(CCOCC3)CC2)n1 ZINC000584899459 479275308 /nfs/dbraw/zinc/27/53/08/479275308.db2.gz OXPFJKJZBCBFEA-MRXNPFEDSA-N 0 0 334.464 2.663 50 0 EFAARN CN(Cc1noc(C2CCC2)n1)C(=O)NCCSc1ccccn1 ZINC000584897284 479275478 /nfs/dbraw/zinc/27/54/78/479275478.db2.gz YEJGGVMTIWLISH-UHFFFAOYSA-N 0 0 347.444 2.666 50 0 EFAARN COc1ccccc1CCc1nc(C(C)C)nn1C[C@H]1COCCO1 ZINC000584899652 479275753 /nfs/dbraw/zinc/27/57/53/479275753.db2.gz AXQHOHCDDDWVGD-INIZCTEOSA-N 0 0 345.443 2.611 50 0 EFAARN CCc1nc(C)sc1CNC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000584903269 479276481 /nfs/dbraw/zinc/27/64/81/479276481.db2.gz TWCVXDWPRRHWIJ-GFCCVEGCSA-N 0 0 325.478 2.706 50 0 EFAARN COc1n[nH]c(-c2ccc(C(=O)N[C@@H](C)c3csc(C)n3)cc2)n1 ZINC000584900194 479276687 /nfs/dbraw/zinc/27/66/87/479276687.db2.gz WJUYUIBTFIHAIE-VIFPVBQESA-N 0 0 343.412 2.736 50 0 EFAARN CSCc1nc(CNC(=O)N(C)[C@@H](C)c2ccncn2)cs1 ZINC000584904035 479277259 /nfs/dbraw/zinc/27/72/59/479277259.db2.gz HNFCJHJUEDINSP-JTQLQIEISA-N 0 0 337.474 2.699 50 0 EFAARN O=C(NCCc1nc2c(s1)CCCC2)N1CC(c2ccccn2)C1 ZINC000584901061 479277367 /nfs/dbraw/zinc/27/73/67/479277367.db2.gz TZAOMXUWTBBUTF-UHFFFAOYSA-N 0 0 342.468 2.768 50 0 EFAARN CCc1nccn1CCC(=O)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000584904040 479278054 /nfs/dbraw/zinc/27/80/54/479278054.db2.gz MVRABUGNGUQVJJ-UHFFFAOYSA-N 0 0 331.807 2.682 50 0 EFAARN O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)Nc2ccccc2Cl)C1 ZINC000585137147 479296233 /nfs/dbraw/zinc/29/62/33/479296233.db2.gz KITDFGUIUFJCEH-SNVBAGLBSA-N 0 0 333.779 2.556 50 0 EFAARN C[C@H]1CCc2c(sc3[nH]c(Cn4ccccc4=O)nc(=O)c23)C1 ZINC000585137184 479296886 /nfs/dbraw/zinc/29/68/86/479296886.db2.gz LMYIPMVAALDMGZ-JTQLQIEISA-N 0 0 327.409 2.732 50 0 EFAARN Cn1cncc1CC(=O)N1CCC(Cc2nc(C(C)(C)C)co2)CC1 ZINC000585138927 479297113 /nfs/dbraw/zinc/29/71/13/479297113.db2.gz JVWUXJDIAGKBFX-UHFFFAOYSA-N 0 0 344.459 2.729 50 0 EFAARN CC(C)[C@@H]1OCC[C@H]1C(=O)Oc1cccc(N)c1Br ZINC000585139454 479297679 /nfs/dbraw/zinc/29/76/79/479297679.db2.gz CZHUWAACTPRPDH-RNCFNFMXSA-N 0 0 328.206 2.998 50 0 EFAARN O=C(NCc1cn(-c2ccsc2)nn1)NCc1ccc(Cl)cc1 ZINC000585150176 479300559 /nfs/dbraw/zinc/30/05/59/479300559.db2.gz BWOLKGYMGCQBNU-UHFFFAOYSA-N 0 0 347.831 2.982 50 0 EFAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cnsn2)CC1 ZINC000585148681 479300794 /nfs/dbraw/zinc/30/07/94/479300794.db2.gz AWXYBKVVZMYDMQ-UHFFFAOYSA-N 0 0 343.239 2.807 50 0 EFAARN CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000585149604 479300883 /nfs/dbraw/zinc/30/08/83/479300883.db2.gz JBOUMJQQFJEZFT-SKDRFNHKSA-N 0 0 344.333 2.932 50 0 EFAARN CC(C)Sc1ccc(CC(=O)N2CC(Nc3ccncn3)C2)cc1 ZINC000585149083 479301139 /nfs/dbraw/zinc/30/11/39/479301139.db2.gz UTENGWFCLKIANH-UHFFFAOYSA-N 0 0 342.468 2.843 50 0 EFAARN O=C(/C=C/c1cccs1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575413894 479441647 /nfs/dbraw/zinc/44/16/47/479441647.db2.gz NCVIZERVFDZHIW-PCAWENJQSA-N 0 0 335.816 2.885 50 0 EFAARN O=C(NCc1ccc(F)cc1)NCc1nccnc1-c1ccco1 ZINC000575414233 479441777 /nfs/dbraw/zinc/44/17/77/479441777.db2.gz DCKYWAWLBYJSQV-UHFFFAOYSA-N 0 0 326.331 2.875 50 0 EFAARN CCn1ncc(C)c1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000618440385 479447918 /nfs/dbraw/zinc/44/79/18/479447918.db2.gz YSFWSWBYONJMEX-UHFFFAOYSA-N 0 0 326.400 2.741 50 0 EFAARN Cc1nccc(O[C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC000575608070 479451107 /nfs/dbraw/zinc/45/11/07/479451107.db2.gz DJUVQDVDXNMIQE-INIZCTEOSA-N 0 0 327.384 2.965 50 0 EFAARN O=S(=O)(NCC[C@@H](CCO)c1cccs1)c1cccc(F)c1 ZINC000575608219 479451820 /nfs/dbraw/zinc/45/18/20/479451820.db2.gz QUGCKWCUTOTANY-LBPRGKRZSA-N 0 0 343.445 2.722 50 0 EFAARN Cc1cccc(CCC(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC000575611173 479452458 /nfs/dbraw/zinc/45/24/58/479452458.db2.gz BHNOWWRIDWGQSR-KRWDZBQOSA-N 0 0 343.402 2.927 50 0 EFAARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H](Oc2ccncn2)C1 ZINC000575609898 479452978 /nfs/dbraw/zinc/45/29/78/479452978.db2.gz AMFJQISLGXCDDL-QGZVFWFLSA-N 0 0 334.379 2.561 50 0 EFAARN CC(C)c1nc(S(=O)(=O)NCc2ccc(-c3ccco3)o2)cn1C ZINC000575610941 479452994 /nfs/dbraw/zinc/45/29/94/479452994.db2.gz RJBYTKVNPHNDAG-UHFFFAOYSA-N 0 0 349.412 2.875 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3)C2)c(C)c1 ZINC000575613526 479453592 /nfs/dbraw/zinc/45/35/92/479453592.db2.gz RNAACNSGKNKRKX-QGZVFWFLSA-N 0 0 346.452 2.931 50 0 EFAARN O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575612794 479453950 /nfs/dbraw/zinc/45/39/50/479453950.db2.gz NJGPZFOMASUZTI-CQSZACIVSA-N 0 0 342.786 2.905 50 0 EFAARN Cc1cccc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)c1 ZINC000575613413 479454163 /nfs/dbraw/zinc/45/41/63/479454163.db2.gz HKHMYWIHXCSUFE-INIZCTEOSA-N 0 0 347.465 2.821 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccncc3)C2)c(C)c1 ZINC000575613525 479454386 /nfs/dbraw/zinc/45/43/86/479454386.db2.gz RNAACNSGKNKRKX-KRWDZBQOSA-N 0 0 346.452 2.931 50 0 EFAARN O=C(NC[C@H](c1ccsc1)n1cccn1)c1ccc2c(c1)OCO2 ZINC000575612875 479454489 /nfs/dbraw/zinc/45/44/89/479454489.db2.gz CUYAOFYHQTYOGW-CQSZACIVSA-N 0 0 341.392 2.693 50 0 EFAARN Cc1ccccc1OCC(=O)NC[C@@H](c1ccco1)n1cccn1 ZINC000575613958 479454842 /nfs/dbraw/zinc/45/48/42/479454842.db2.gz MSIIHZGRCWJENZ-HNNXBMFYSA-N 0 0 325.368 2.569 50 0 EFAARN O=C(NCCc1ccccc1)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575613694 479455031 /nfs/dbraw/zinc/45/50/31/479455031.db2.gz SBQCZWNRRIAHTI-SFHVURJKSA-N 0 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C[C@@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)Cc1ccsc1 ZINC000618257213 1263288619 /nfs/dbraw/zinc/28/86/19/1263288619.db2.gz RTIRXQPHAGPZHW-AWEZNQCLSA-N 0 0 344.358 2.885 50 0 EFAARN COc1cccc([C@H]2CCCN2Cc2nc(-c3cnccn3)no2)c1 ZINC000011708319 1263294420 /nfs/dbraw/zinc/29/44/20/1263294420.db2.gz BWYNOTHSBBSKSP-MRXNPFEDSA-N 0 0 337.383 2.872 50 0 EFAARN O=C(CCc1nnc(CCCc2ccccc2)o1)NCC(F)(F)F ZINC000011813146 1264003557 /nfs/dbraw/zinc/00/35/57/1264003557.db2.gz IPKNZBYIRIQSBS-UHFFFAOYSA-N 0 0 341.333 2.856 50 0 EFAARN c1ccc(CNc2nc3nonc3nc2NCCc2ccccn2)cc1 ZINC000011937538 1264649089 /nfs/dbraw/zinc/64/90/89/1264649089.db2.gz BJVYLXQMGNNGTL-UHFFFAOYSA-N 0 0 347.382 2.675 50 0 EFAARN CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@@]3(C)C(=O)[O-])ccc2c1 ZINC000820592969 1264796796 /nfs/dbraw/zinc/79/67/96/1264796796.db2.gz QJYKBVMCWNFJDI-SFHVURJKSA-N 0 0 327.384 2.632 50 0 EFAARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(CC(C)C)on1 ZINC000821483409 1264970568 /nfs/dbraw/zinc/97/05/68/1264970568.db2.gz 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210253843 /nfs/dbraw/zinc/25/38/43/210253843.db2.gz MDPWJOYQBBNJDJ-UHFFFAOYSA-N 0 0 342.461 2.854 50 0 EFAARN COc1ccc(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000004701853 210253619 /nfs/dbraw/zinc/25/36/19/210253619.db2.gz ZDVBEJSAKORDPK-WEVVVXLNSA-N 0 0 325.364 2.796 50 0 biogenic,in-vitro EFAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@@H](C)O ZINC000054363621 214233829 /nfs/dbraw/zinc/23/38/29/214233829.db2.gz YPKJIGFITQHTSC-GFCCVEGCSA-N 0 0 349.880 2.877 50 0 EFAARN COc1ccc(NC(=O)C[C@H]2C(=O)OCCN2C2CCCCC2)cc1 ZINC000054253762 214227297 /nfs/dbraw/zinc/22/72/97/214227297.db2.gz YONKXPOZTJIJLL-KRWDZBQOSA-N 0 0 346.427 2.584 50 0 EFAARN Cc1noc(C2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)n1 ZINC000054674368 214250019 /nfs/dbraw/zinc/25/00/19/214250019.db2.gz BMXNRIYKQOUFFC-HWKANZROSA-N 0 0 341.367 2.526 50 0 EFAARN O=C(COCC(=O)N1CCCCC1)Nc1cccc(Cl)c1Cl ZINC000004699695 210251837 /nfs/dbraw/zinc/25/18/37/210251837.db2.gz ONDLIKCLIVNMTQ-UHFFFAOYSA-N 0 0 345.226 2.961 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000054991689 214261795 /nfs/dbraw/zinc/26/17/95/214261795.db2.gz ROTAWGONYQHKIO-KRWDZBQOSA-N 0 0 334.485 2.658 50 0 EFAARN COC[C@H](NC(=O)c1cc(C)nc2c(C)cccc12)c1ccnn1C ZINC000055041907 214267026 /nfs/dbraw/zinc/26/70/26/214267026.db2.gz LGGUFORDWVFZBE-INIZCTEOSA-N 0 0 338.411 2.703 50 0 EFAARN Cc1c(NCc2cccnc2)cccc1C(=O)N[C@H](C)c1nc[nH]n1 ZINC000055073182 214269230 /nfs/dbraw/zinc/26/92/30/214269230.db2.gz TVLMOPBXQDCAIT-CYBMUJFWSA-N 0 0 336.399 2.611 50 0 EFAARN CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000055074745 214269654 /nfs/dbraw/zinc/26/96/54/214269654.db2.gz ZVRUEQUIQNCCPD-MRXNPFEDSA-N 0 0 342.395 2.931 50 0 EFAARN O=C(Cc1ccncc1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000055071785 214269934 /nfs/dbraw/zinc/26/99/34/214269934.db2.gz NSEPABVRAGVXTH-SFHVURJKSA-N 0 0 328.387 2.971 50 0 EFAARN Cc1c(NCc2cccnc2)cccc1C(=O)NCCc1c[nH]cn1 ZINC000055088380 214271085 /nfs/dbraw/zinc/27/10/85/214271085.db2.gz YXYLZGDQOVKBSM-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/28/46/57/214284657.db2.gz XPQJEFKDJIYLQU-CYBMUJFWSA-N 0 0 336.457 2.813 50 0 EFAARN CCc1nn(C)c(Cl)c1CN(Cc1cccnc1)[C@@H](CC)CO ZINC000055195517 214286252 /nfs/dbraw/zinc/28/62/52/214286252.db2.gz DXPWWTWGNJMJAN-AWEZNQCLSA-N 0 0 336.867 2.804 50 0 EFAARN COC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000055199476 214287327 /nfs/dbraw/zinc/28/73/27/214287327.db2.gz WTAUINHCCJUIRQ-GFCCVEGCSA-N 0 0 329.352 2.779 50 0 EFAARN CCn1nc(C)c(CN(CCOC)Cc2cccnc2NC)c1C ZINC000055211119 214288683 /nfs/dbraw/zinc/28/86/83/214288683.db2.gz BFVXRXQHNDPOEI-UHFFFAOYSA-N 0 0 331.464 2.605 50 0 EFAARN CCn1cncc1CNC(=O)CCc1nc(-c2ccccc2C)no1 ZINC000055255001 214297010 /nfs/dbraw/zinc/29/70/10/214297010.db2.gz WWEQLFXZGVZHAY-UHFFFAOYSA-N 0 0 339.399 2.510 50 0 EFAARN Cc1cccc(-n2cc(CN(C)C(=O)CCN3CCCCO3)cn2)c1 ZINC000055254036 214297122 /nfs/dbraw/zinc/29/71/22/214297122.db2.gz JUNVULXLMXWOND-UHFFFAOYSA-N 0 0 342.443 2.557 50 0 EFAARN CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2cnccn2)cc1 ZINC000055225693 214291730 /nfs/dbraw/zinc/29/17/30/214291730.db2.gz GPGAVVOCICOYIY-AWEZNQCLSA-N 0 0 340.427 2.505 50 0 EFAARN COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 ZINC000004693575 210249447 /nfs/dbraw/zinc/24/94/47/210249447.db2.gz SUBDBMMJDZJVOS-XMMPIXPASA-N 0 0 345.424 2.900 50 0 fda EFAARN CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H](C)Oc2cccnc2)c1 ZINC000055308897 214305828 /nfs/dbraw/zinc/30/58/28/214305828.db2.gz ONJGIEPJVYSGQT-LLVKDONJSA-N 0 0 347.802 2.891 50 0 EFAARN C[C@@H](Cc1cccs1)NC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000055325963 214307977 /nfs/dbraw/zinc/30/79/77/214307977.db2.gz BVCNGDFFRFOBKC-LBPRGKRZSA-N 0 0 334.416 2.755 50 0 EFAARN CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)CO)cc1 ZINC000055327356 214307998 /nfs/dbraw/zinc/30/79/98/214307998.db2.gz AVJBDXZVUQDMQT-HNNXBMFYSA-N 0 0 340.423 2.916 50 0 EFAARN CCCC(=O)Nc1ccc(CC(=O)NCCc2cccnc2)cc1 ZINC000055270179 214299168 /nfs/dbraw/zinc/29/91/68/214299168.db2.gz OLLJHVIQETUCHT-UHFFFAOYSA-N 0 0 325.412 2.722 50 0 EFAARN CCC[C@@H](C)c1nnc(NC(=O)c2cccc(-n3cnnc3)n2)s1 ZINC000055270630 214299289 /nfs/dbraw/zinc/29/92/89/214299289.db2.gz BKVONIMRVQIWPO-SNVBAGLBSA-N 0 0 343.416 2.670 50 0 EFAARN CCCc1nc(CN(CC)C(=O)[C@H](c2ccc(F)cc2)N(C)C)no1 ZINC000055270393 214299762 /nfs/dbraw/zinc/29/97/62/214299762.db2.gz XKIYAHJZUISXMV-KRWDZBQOSA-N 0 0 348.422 2.813 50 0 EFAARN Cc1cccc(C)c1OCCCN(C)C(=O)C(=O)c1cccn1C ZINC000055327283 214308155 /nfs/dbraw/zinc/30/81/55/214308155.db2.gz UNVDGLAKIULJIM-UHFFFAOYSA-N 0 0 328.412 2.752 50 0 EFAARN CCc1[nH]nc(C(=O)N(C)CCCOc2ccc(OC)cc2)c1C ZINC000055282205 214301811 /nfs/dbraw/zinc/30/18/11/214301811.db2.gz SDOQLCUCLWPTST-UHFFFAOYSA-N 0 0 331.416 2.830 50 0 EFAARN Cc1cc(C)cc(NC(=O)CC(=O)NCCCOc2cccnc2)c1 ZINC000055283493 214302151 /nfs/dbraw/zinc/30/21/51/214302151.db2.gz TWVWXIMDXFNGBG-UHFFFAOYSA-N 0 0 341.411 2.612 50 0 EFAARN O=C(c1cc(-c2ccccn2)n[nH]1)N1CCC[C@@]2(CCCO2)CC1 ZINC000097759326 219055643 /nfs/dbraw/zinc/05/56/43/219055643.db2.gz SPBMVZZYXVQXAB-GOSISDBHSA-N 0 0 326.400 2.647 50 0 EFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1 ZINC000055376796 214313746 /nfs/dbraw/zinc/31/37/46/214313746.db2.gz TUWUVRPEFQZLAD-UHFFFAOYSA-N 0 0 328.865 2.589 50 0 EFAARN Cc1cccc(CN2CCN(C(=O)CCC(F)(F)F)[C@H](C)C2=O)c1 ZINC000055393259 214316282 /nfs/dbraw/zinc/31/62/82/214316282.db2.gz QAOYNFCTYLYVCD-CYBMUJFWSA-N 0 0 342.361 2.897 50 0 EFAARN CC(C)(C)OC(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1 ZINC000055392748 214316877 /nfs/dbraw/zinc/31/68/77/214316877.db2.gz AKFVZALISNAFRA-OAHLLOKOSA-N 0 0 336.432 2.752 50 0 EFAARN CCOc1ccccc1NC(=O)CC(=O)N(CC)Cc1ccncc1 ZINC000055393228 214317085 /nfs/dbraw/zinc/31/70/85/214317085.db2.gz UHXLIEMHEOWQBN-UHFFFAOYSA-N 0 0 341.411 2.858 50 0 EFAARN CCCN1C[C@H](C(=O)N(Cc2ccccc2OC)C2CC2)CCC1=O ZINC000055341053 214309281 /nfs/dbraw/zinc/30/92/81/214309281.db2.gz BZDCSQPAKOKDEJ-MRXNPFEDSA-N 0 0 344.455 2.835 50 0 EFAARN CC[S@@](=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000055343894 214309625 /nfs/dbraw/zinc/30/96/25/214309625.db2.gz 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/nfs/dbraw/zinc/31/81/28/214318128.db2.gz WNYUUWMVXTZFOY-CQSZACIVSA-N 0 0 329.425 2.989 50 0 EFAARN Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2ccccc2C)c(=O)n1 ZINC000055401225 214318928 /nfs/dbraw/zinc/31/89/28/214318928.db2.gz DEPUJADXCJORKO-GOSISDBHSA-N 0 0 339.439 2.922 50 0 EFAARN c1cc(CN(Cc2ccccn2)C[C@H]2CCCO2)n(-c2ncccn2)c1 ZINC000055404401 214319770 /nfs/dbraw/zinc/31/97/70/214319770.db2.gz SGBSBSBQQAVFNX-LJQANCHMSA-N 0 0 349.438 2.844 50 0 EFAARN CCCn1ncnc1[C@@H](C)NC(=O)COc1c(C)ccc(C)c1C ZINC000055402940 214319833 /nfs/dbraw/zinc/31/98/33/214319833.db2.gz GSNQLMRKQALAHJ-OAHLLOKOSA-N 0 0 330.432 2.870 50 0 EFAARN CCc1cccc(NC(=O)CCC(=O)N[C@H](C)CCn2cccn2)c1 ZINC000055413142 214321159 /nfs/dbraw/zinc/32/11/59/214321159.db2.gz GHKDDNXEWBTDPW-OAHLLOKOSA-N 0 0 342.443 2.759 50 0 EFAARN CC[C@@H](CO)N(Cc1cccnc1)C(=O)COc1ccc(C)c(C)c1 ZINC000055414020 214322733 /nfs/dbraw/zinc/32/27/33/214322733.db2.gz HKYDFURPIKLSEN-SFHVURJKSA-N 0 0 342.439 2.877 50 0 EFAARN CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@H](C)c2ccncn2)c1 ZINC000055393411 214317427 /nfs/dbraw/zinc/31/74/27/214317427.db2.gz QCOHLAJZAKABLA-SNVBAGLBSA-N 0 0 332.791 2.922 50 0 EFAARN CCc1ccccc1OCCN(C)C(=O)c1cnc2ccnn2c1C ZINC000055568780 214330725 /nfs/dbraw/zinc/33/07/25/214330725.db2.gz KKEGUMPSGODBJT-UHFFFAOYSA-N 0 0 338.411 2.751 50 0 EFAARN CCc1nnc(SCC(=O)N[C@@H](c2ccco2)c2ccccc2)[nH]1 ZINC000055575639 214331487 /nfs/dbraw/zinc/33/14/87/214331487.db2.gz WRHQEERSVKWCCQ-MRXNPFEDSA-N 0 0 342.424 2.958 50 0 EFAARN CC(=O)c1cc(C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)c(=O)[nH]c1C ZINC000055575558 214331500 /nfs/dbraw/zinc/33/15/00/214331500.db2.gz DRXLKBKTOQPPCV-LLVKDONJSA-N 0 0 342.399 2.614 50 0 EFAARN O=C(c1ccccn1)N(CCO)CCSc1ccc(Cl)cc1 ZINC000055575671 214331982 /nfs/dbraw/zinc/33/19/82/214331982.db2.gz QAZLNDISUKSMQL-UHFFFAOYSA-N 0 0 336.844 2.962 50 0 EFAARN CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000097797381 219057984 /nfs/dbraw/zinc/05/79/84/219057984.db2.gz BHIMJONIDQJAEW-CYBMUJFWSA-N 0 0 335.391 2.962 50 0 EFAARN COc1cc(-c2cncc(C(=O)N3CCCCC3)n2)c(Cl)cn1 ZINC000097819552 219058475 /nfs/dbraw/zinc/05/84/75/219058475.db2.gz VNTFAPTTWHZIOW-UHFFFAOYSA-N 0 0 332.791 2.827 50 0 EFAARN CCCOc1ccc(Cl)cc1CNC(=O)CN1CCCCC1=O ZINC000097823278 219058642 /nfs/dbraw/zinc/05/86/42/219058642.db2.gz NWPCYWRIOOXEEF-UHFFFAOYSA-N 0 0 338.835 2.758 50 0 EFAARN CCN1C[C@H](C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1=O ZINC000057130728 214406082 /nfs/dbraw/zinc/40/60/82/214406082.db2.gz AKJBHJSDZWYDGX-LLVKDONJSA-N 0 0 345.830 2.574 50 0 EFAARN O=C(NC[C@@H](O)c1ccsc1)C1(c2ccccc2)CCOCC1 ZINC000056906310 214394219 /nfs/dbraw/zinc/39/42/19/214394219.db2.gz RSFVLTYJOYAVLM-MRXNPFEDSA-N 0 0 331.437 2.646 50 0 EFAARN O=C(/C=C/c1ccccc1)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000056921597 214395303 /nfs/dbraw/zinc/39/53/03/214395303.db2.gz IXGDRUKIDRVANK-KBOKABMXSA-N 0 0 342.464 2.639 50 0 EFAARN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)NC1CCCCC1 ZINC000057521692 214433676 /nfs/dbraw/zinc/43/36/76/214433676.db2.gz LILYXBOYWCLOQU-UHFFFAOYSA-N 0 0 348.472 2.594 50 0 EFAARN CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000004652740 210238329 /nfs/dbraw/zinc/23/83/29/210238329.db2.gz QPKTYWFPPOLACH-XRGAULLZSA-N 0 0 325.364 2.563 50 0 EFAARN O=C(NCCc1nc2ccccc2[nH]1)c1ccc(Br)o1 ZINC000004625317 210234084 /nfs/dbraw/zinc/23/40/84/210234084.db2.gz URITZXXGKMCVFD-UHFFFAOYSA-N 0 0 334.173 2.891 50 0 EFAARN COc1cc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c(C)cc1C ZINC000004625519 210233114 /nfs/dbraw/zinc/23/31/14/210233114.db2.gz DSJGGBFTILHTSK-UHFFFAOYSA-N 0 0 331.397 2.989 50 0 EFAARN CC1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 ZINC000004592852 210229761 /nfs/dbraw/zinc/22/97/61/210229761.db2.gz WEFMVMBKWPVLNN-SFHVURJKSA-N 0 0 338.407 2.531 50 0 EFAARN CC(C)CN(CC(C)C)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000004591857 210228741 /nfs/dbraw/zinc/22/87/41/210228741.db2.gz QSQMVSUOICJQNR-AWEZNQCLSA-N 0 0 330.428 2.812 50 0 EFAARN CN(Cc1ccccc1)C(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049549547 214017920 /nfs/dbraw/zinc/01/79/20/214017920.db2.gz DBXYYXVZYZCZOI-UHFFFAOYSA-N 0 0 339.420 2.630 50 0 EFAARN CC(=O)Nc1cccc(NC(=O)c2cnc3c(F)cccc3c2O)c1 ZINC000049549938 214017739 /nfs/dbraw/zinc/01/77/39/214017739.db2.gz YBISGOIIMYIHIU-UHFFFAOYSA-N 0 0 339.326 2.878 50 0 EFAARN CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2Cl)cn1C ZINC000049550507 214017782 /nfs/dbraw/zinc/01/77/82/214017782.db2.gz RGMIZHKDZZOMEE-UHFFFAOYSA-N 0 0 334.803 2.756 50 0 EFAARN Fc1ccc(Cl)c(-c2nnc3sc(Cn4cccn4)nn32)c1 ZINC000049548874 214017879 /nfs/dbraw/zinc/01/78/79/214017879.db2.gz ZQYAVCKLNOUUFR-UHFFFAOYSA-N 0 0 334.767 2.890 50 0 EFAARN O=C(NCc1ccccn1)c1cc(F)ccc1NC(=O)N1CCCC1 ZINC000049549645 214017628 /nfs/dbraw/zinc/01/76/28/214017628.db2.gz MKLURPGVXKUMGB-UHFFFAOYSA-N 0 0 342.374 2.778 50 0 EFAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)OCc1ccccc1 ZINC000049546307 214016869 /nfs/dbraw/zinc/01/68/69/214016869.db2.gz FGGMNPSGJKARID-UHFFFAOYSA-N 0 0 338.338 2.793 50 0 EFAARN CC(C)CNC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000049546993 214016320 /nfs/dbraw/zinc/01/63/20/214016320.db2.gz KUXXAAVMDQXXBH-UHFFFAOYSA-N 0 0 335.407 2.836 50 0 EFAARN COc1cc(C(=O)NCCOc2ccccc2C)cc(OC)c1OC ZINC000004573103 210225206 /nfs/dbraw/zinc/22/52/06/210225206.db2.gz SNQYYLLSIRZVDW-UHFFFAOYSA-N 0 0 345.395 2.830 50 0 biogenic,in-vitro EFAARN CN1C(=O)Cc2cc(NS(=O)(=O)/C=C/c3ccccc3)ccc21 ZINC000049506808 214014023 /nfs/dbraw/zinc/01/40/23/214014023.db2.gz BGCLLSHLGATUGL-MDZDMXLPSA-N 0 0 328.393 2.618 50 0 EFAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1cnn(C)c1)SCC(=O)N2 ZINC000044902287 282251067 /nfs/dbraw/zinc/25/10/67/282251067.db2.gz MZZYXUXUCNAEAS-HNNXBMFYSA-N 0 0 340.412 2.733 50 0 EFAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000004570416 210223793 /nfs/dbraw/zinc/22/37/93/210223793.db2.gz YIODZUPICZYBKY-UHFFFAOYSA-N 0 0 348.424 2.994 50 0 EFAARN CNC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000004570437 210223462 /nfs/dbraw/zinc/22/34/62/210223462.db2.gz ZPOQQRYZFGANMP-CYBMUJFWSA-N 0 0 346.408 2.503 50 0 EFAARN C=CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 ZINC000098086827 219082198 /nfs/dbraw/zinc/08/21/98/219082198.db2.gz PRUVIYWYZVUBCH-UHFFFAOYSA-N 0 0 327.311 2.952 50 0 EFAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)n[nH]c2C)C1=O ZINC000004554969 210220727 /nfs/dbraw/zinc/22/07/27/210220727.db2.gz MEKITRDHCUNIOF-IBGZPJMESA-N 0 0 341.411 2.634 50 0 EFAARN CC(C)CCNC(=O)c1cccc(Oc2ccc3nncn3n2)c1 ZINC000061721298 214675175 /nfs/dbraw/zinc/67/51/75/214675175.db2.gz WITMPFZWURFVLC-UHFFFAOYSA-N 0 0 325.372 2.693 50 0 EFAARN Cc1c(O)ccc2c(C)c(CC(=O)NCc3ccccc3)c(=O)oc12 ZINC000004540656 210216554 /nfs/dbraw/zinc/21/65/54/210216554.db2.gz SFSKNARCGXIOQF-UHFFFAOYSA-N 0 0 337.375 2.974 50 0 EFAARN COc1ccc2c(C)c(CC(=O)NCc3ccccc3)c(=O)oc2c1 ZINC000004540653 210216430 /nfs/dbraw/zinc/21/64/30/210216430.db2.gz OJZLSKQBHBFPPT-UHFFFAOYSA-N 0 0 337.375 2.969 50 0 EFAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(F)cc1 ZINC000004539559 210215969 /nfs/dbraw/zinc/21/59/69/210215969.db2.gz XFXUXTPBENFHEG-UHFFFAOYSA-N 0 0 343.387 2.841 50 0 EFAARN O=C(Nc1nc(C(=O)N2CCc3ccccc3C2)co1)c1ccco1 ZINC000062023025 214693784 /nfs/dbraw/zinc/69/37/84/214693784.db2.gz PADOAMWQWWWHQR-UHFFFAOYSA-N 0 0 337.335 2.718 50 0 EFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000004520331 210212254 /nfs/dbraw/zinc/21/22/54/210212254.db2.gz WSPZTWKRAWQQKY-HXUWFJFHSA-N 0 0 349.434 2.574 50 0 biogenic,in-vitro EFAARN CCc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)cc1 ZINC000100119735 219091366 /nfs/dbraw/zinc/09/13/66/219091366.db2.gz GXEJUDIEXRNQGY-LJQANCHMSA-N 0 0 334.419 2.939 50 0 EFAARN CCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-n1cccc1 ZINC000004518451 210212127 /nfs/dbraw/zinc/21/21/27/210212127.db2.gz UFKNSCCPTVQSFE-UHFFFAOYSA-N 0 0 345.403 2.823 50 0 EFAARN Cc1cccc(-c2noc(CN(C(=O)N3CCOCC3)C(C)C)n2)c1 ZINC000004512685 210210278 /nfs/dbraw/zinc/21/02/78/210210278.db2.gz RAUKKWSXVJICPW-UHFFFAOYSA-N 0 0 344.415 2.708 50 0 EFAARN Cc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000004512141 210210308 /nfs/dbraw/zinc/21/03/08/210210308.db2.gz HTHUZTXFJZSJCQ-NSHDSACASA-N 0 0 333.862 2.507 50 0 EFAARN O=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 ZINC000004511994 210210038 /nfs/dbraw/zinc/21/00/38/210210038.db2.gz QYYRTYUPQCHSHR-UHFFFAOYSA-N 0 0 334.162 2.981 50 0 EFAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)[C@H]1CCCO1 ZINC000004512077 210210184 /nfs/dbraw/zinc/21/01/84/210210184.db2.gz KHOFZIRTILZMAP-MRXNPFEDSA-N 0 0 336.347 2.973 50 0 EFAARN CCCCN1c2ccc(Br)cc2[C@H](NC(C)=O)C1=O ZINC000100176045 219093460 /nfs/dbraw/zinc/09/34/60/219093460.db2.gz CXCGQPLUFMSASL-ZDUSSCGKSA-N 0 0 325.206 2.773 50 0 EFAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004511088 210209214 /nfs/dbraw/zinc/20/92/14/210209214.db2.gz UOYXBPVVWWIHAH-NSHDSACASA-N 0 0 342.326 2.546 50 0 EFAARN COc1ccc(-c2nnc3sc(-c4ccccn4)nn32)cc1OC ZINC000004511738 210209029 /nfs/dbraw/zinc/20/90/29/210209029.db2.gz IHTYCOXCYDDXJG-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN COc1ccccc1OCCSc1nnc2nc(C)cc(C)n21 ZINC000004511554 210208967 /nfs/dbraw/zinc/20/89/67/210208967.db2.gz RUGZDJXJHMNLER-UHFFFAOYSA-N 0 0 330.413 2.921 50 0 EFAARN COc1ccccc1-n1nnc(C(=O)Nc2ccccc2F)c1C ZINC000004511611 210208489 /nfs/dbraw/zinc/20/84/89/210208489.db2.gz DXVVPUWLEVAGEH-UHFFFAOYSA-N 0 0 326.331 2.976 50 0 EFAARN COCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OC(C)C ZINC000004505533 210208176 /nfs/dbraw/zinc/20/81/76/210208176.db2.gz YQNCKDMWUYNYSW-OAHLLOKOSA-N 0 0 347.411 2.541 50 0 EFAARN COc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1OC ZINC000004502241 210206027 /nfs/dbraw/zinc/20/60/27/210206027.db2.gz NRZDZSZNOBVZPR-UHFFFAOYSA-N 0 0 339.351 2.684 50 0 EFAARN CC(=O)Nc1cccc(OC(=O)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004503109 210205887 /nfs/dbraw/zinc/20/58/87/210205887.db2.gz BSSXUTBCTLNUBU-UHFFFAOYSA-N 0 0 333.365 2.926 50 0 EFAARN CCOC(=O)c1s/c(=N\C(=O)c2ccc(OCC)cc2)n(C)c1C ZINC000100307155 219096798 /nfs/dbraw/zinc/09/67/98/219096798.db2.gz XOMSNPQSJZPQFU-ZCXUNETKSA-N 0 0 348.424 2.712 50 0 EFAARN CCOc1ccc(N2C[C@@H](NC(=O)c3ccc(C)cc3)CC2=O)cc1 ZINC000004497240 210203884 /nfs/dbraw/zinc/20/38/84/210203884.db2.gz TVYWQEQPQXEQMQ-INIZCTEOSA-N 0 0 338.407 2.929 50 0 EFAARN CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000004487979 210200992 /nfs/dbraw/zinc/20/09/92/210200992.db2.gz LHHVXYMWJYVPNK-UHFFFAOYSA-N 0 0 338.454 2.713 50 0 EFAARN CC(=O)N[C@H]1c2cc(Cl)ccc2N(CCOc2ccccc2)C1=O ZINC000100485736 219100513 /nfs/dbraw/zinc/10/05/13/219100513.db2.gz GVNQDNFTWBMVOT-KRWDZBQOSA-N 0 0 344.798 2.943 50 0 EFAARN Cc1ccc(NC(=O)CSc2cc(-n3cccn3)ncn2)cc1 ZINC000049403986 214006417 /nfs/dbraw/zinc/00/64/17/214006417.db2.gz XPOKRJNLEDCITH-UHFFFAOYSA-N 0 0 325.397 2.702 50 0 EFAARN Cc1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1F)CCCC2 ZINC000049404695 214005665 /nfs/dbraw/zinc/00/56/65/214005665.db2.gz BDKGABXPHKJDID-UHFFFAOYSA-N 0 0 349.793 2.862 50 0 EFAARN CCOc1cc(-c2nnc(NC(C)=O)o2)cc(OCC)c1OCC ZINC000004479401 210198231 /nfs/dbraw/zinc/19/82/31/210198231.db2.gz XDAHVCOQOMCFNT-UHFFFAOYSA-N 0 0 335.360 2.891 50 0 EFAARN CCc1cc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)n1 ZINC000049404651 214005949 /nfs/dbraw/zinc/00/59/49/214005949.db2.gz DQXIJPMYPIKXFQ-UHFFFAOYSA-N 0 0 339.317 2.772 50 0 EFAARN COc1ccc(-c2nnc(CC(=O)NCc3ccccc3F)o2)cc1 ZINC000049405726 214006000 /nfs/dbraw/zinc/00/60/00/214006000.db2.gz KTQDGTIHSQFJJR-UHFFFAOYSA-N 0 0 341.342 2.743 50 0 EFAARN CCCCNC(=O)c1nc(-c2nc(-c3ccncc3)no2)cs1 ZINC000049409765 214005601 /nfs/dbraw/zinc/00/56/01/214005601.db2.gz JGFHATPCFSXPHL-UHFFFAOYSA-N 0 0 329.385 2.785 50 0 EFAARN COc1ccc(NCCN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000100648714 219103493 /nfs/dbraw/zinc/10/34/93/219103493.db2.gz YCJQSUFCUSANTO-CABCVRRESA-N 0 0 334.803 2.625 50 0 EFAARN Cc1nnc(S[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)s1 ZINC000100698672 219104208 /nfs/dbraw/zinc/10/42/08/219104208.db2.gz CCYQSJIVBUDEHE-LBPRGKRZSA-N 0 0 333.438 2.888 50 0 EFAARN COC(=O)c1cc(OC(=O)c2ccc(Cl)cc2Cl)n(C)n1 ZINC000004434739 210192461 /nfs/dbraw/zinc/19/24/61/210192461.db2.gz FAZYMHMRPGBHSL-UHFFFAOYSA-N 0 0 329.139 2.733 50 0 EFAARN Cc1cccc(-c2noc(CCCC(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000004433665 210191909 /nfs/dbraw/zinc/19/19/09/210191909.db2.gz VNBALPSZWXYORU-HNNXBMFYSA-N 0 0 329.400 2.663 50 0 EFAARN O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC1CCCCCC1 ZINC000100793101 219107153 /nfs/dbraw/zinc/10/71/53/219107153.db2.gz AIWPJKMWJWQDRS-HOTGVXAUSA-N 0 0 332.444 2.557 50 0 EFAARN O=C(Nc1ccc(Br)cc1F)C(=O)N1CCCCC1 ZINC000004419044 210190141 /nfs/dbraw/zinc/19/01/41/210190141.db2.gz JBUUHJUABDBSTF-UHFFFAOYSA-N 0 0 329.169 2.539 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)(C)C ZINC000004413175 210189615 /nfs/dbraw/zinc/18/96/15/210189615.db2.gz NCICDOOVMCMRIF-UHFFFAOYSA-N 0 0 334.441 2.866 50 0 EFAARN CCOCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)C(C)C ZINC000100873677 219109898 /nfs/dbraw/zinc/10/98/98/219109898.db2.gz SDSUTQSVPPECPP-ZPHPHTNESA-N 0 0 349.456 2.781 50 0 EFAARN CCOCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)CC ZINC000100873675 219110021 /nfs/dbraw/zinc/11/00/21/219110021.db2.gz DTBIPVJVZHDVDW-VLGSPTGOSA-N 0 0 335.429 2.535 50 0 EFAARN O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccccc2)cs1 ZINC000004392226 210187135 /nfs/dbraw/zinc/18/71/35/210187135.db2.gz IPGUUPZOBCCTFG-NSHDSACASA-N 0 0 336.438 2.573 50 0 EFAARN COc1ccc(CCN2C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1OC ZINC000100903080 219110826 /nfs/dbraw/zinc/11/08/26/219110826.db2.gz LLCKREMNAANBEE-IYBDPMFKSA-N 0 0 343.423 2.978 50 0 EFAARN COC(=O)C(=CNc1ccc(OC)cc1)NC(=O)c1ccccc1 ZINC000100918401 219110897 /nfs/dbraw/zinc/11/08/97/219110897.db2.gz WSXKQPJMNBRPDK-FOWTUZBSSA-N 0 0 326.352 2.552 50 0 EFAARN COc1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000004385115 210185303 /nfs/dbraw/zinc/18/53/03/210185303.db2.gz AQRUHXNIIVDEPT-AWEZNQCLSA-N 0 0 325.364 2.962 50 0 EFAARN COc1ccc(OC)c(NC(=O)CCn2c3ccccc3oc2=O)c1 ZINC000004384645 210185001 /nfs/dbraw/zinc/18/50/01/210185001.db2.gz RPLLWTBKIKIQDT-UHFFFAOYSA-N 0 0 342.351 2.641 50 0 EFAARN COc1cc(Br)c(/C=C2\SC(=N)NC2=O)cc1OC ZINC000004380476 210183692 /nfs/dbraw/zinc/18/36/92/210183692.db2.gz WXPRLYGNSPGXKH-WMZJFQQLSA-N 0 0 343.202 2.605 50 0 EFAARN COc1cccc(C2=Nc3nnnn3[C@@H](c3ccccc3OC)C2)c1 ZINC000101027698 219114433 /nfs/dbraw/zinc/11/44/33/219114433.db2.gz LSNCFXFKDZTMGW-MRXNPFEDSA-N 0 0 335.367 2.746 50 0 EFAARN O=C(c1ccc2c(c1)OCO2)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000049031892 213979202 /nfs/dbraw/zinc/97/92/02/213979202.db2.gz KGXIDIMKQXCBTI-UHFFFAOYSA-N 0 0 349.346 2.705 50 0 EFAARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCc2ccccc21 ZINC000004374141 210182426 /nfs/dbraw/zinc/18/24/26/210182426.db2.gz LLHQJYHFEDGTRT-OAHLLOKOSA-N 0 0 339.370 2.703 50 0 EFAARN C[C@H](NC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 ZINC000004374101 210182439 /nfs/dbraw/zinc/18/24/39/210182439.db2.gz LXTSKJYFWKNYIA-BBRMVZONSA-N 0 0 341.386 2.991 50 0 EFAARN Cc1ccc(N2C[C@@H](NC(=O)NCc3ccco3)CC2=O)cc1C ZINC000004373200 210181734 /nfs/dbraw/zinc/18/17/34/210181734.db2.gz TYKLILZHWDEWFL-AWEZNQCLSA-N 0 0 327.384 2.501 50 0 EFAARN COc1cccc(N2C[C@H](NC(=O)N(C)C3CCCCC3)CC2=O)c1 ZINC000004373259 210181457 /nfs/dbraw/zinc/18/14/57/210181457.db2.gz KMFSLIXZQQNZRB-CQSZACIVSA-N 0 0 345.443 2.775 50 0 EFAARN COc1cc2c(cc1OC)CN(C(=O)c1ccnn1C(C)C)CC2 ZINC000049025970 213977096 /nfs/dbraw/zinc/97/70/96/213977096.db2.gz GNILOBNDOQIAND-UHFFFAOYSA-N 0 0 329.400 2.680 50 0 EFAARN CCOC(=O)c1sc(=NC(=O)Cc2ccc(C)cc2)n(C)c1C ZINC000101143200 219118138 /nfs/dbraw/zinc/11/81/38/219118138.db2.gz KDXYPWGNYOJNFJ-ISLYRVAYSA-N 0 0 332.425 2.550 50 0 EFAARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)C3=C2O)cc1 ZINC000101195407 219118610 /nfs/dbraw/zinc/11/86/10/219118610.db2.gz QYVBCYZCGXDUJA-ZBFHGGJFSA-N 0 0 340.766 2.941 50 0 EFAARN O=C1[C@H]2ON=C(c3ccccc3Cl)C2=C(O)N1c1ccc(F)cc1 ZINC000101191337 219118754 /nfs/dbraw/zinc/11/87/54/219118754.db2.gz QHCFCDFTTGKRLC-HIFRSBDPSA-N 0 0 344.729 2.772 50 0 EFAARN Cc1nn2c(nc(C)cc2N2CCOCC2)c1-c1ccc(F)cc1 ZINC000021798761 282308396 /nfs/dbraw/zinc/30/83/96/282308396.db2.gz NGVHUIUMJBQQPX-UHFFFAOYSA-N 0 0 326.375 2.989 50 0 EFAARN COc1ccc(-c2cc3ccc(OS(C)(=O)=O)cc3oc2=O)cc1 ZINC000004340279 210176074 /nfs/dbraw/zinc/17/60/74/210176074.db2.gz YKKQQENKKGRIDF-UHFFFAOYSA-N 0 0 346.360 2.807 50 0 biogenic EFAARN COC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000004341608 210175689 /nfs/dbraw/zinc/17/56/89/210175689.db2.gz VQGXKIZSHVRWGV-VIFPVBQESA-N 0 0 332.360 2.608 50 0 EFAARN COc1ccc(N2C(=O)C[C@H](NCc3ccccc3Cl)C2=O)cc1 ZINC000101337185 219122468 /nfs/dbraw/zinc/12/24/68/219122468.db2.gz FJPVJHFUFCCHOZ-INIZCTEOSA-N 0 0 344.798 2.770 50 0 EFAARN CCOc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1ccc(F)cc1 ZINC000101405008 219125636 /nfs/dbraw/zinc/12/56/36/219125636.db2.gz MIRCQSFMZSBWCS-GOSISDBHSA-N 0 0 342.370 2.948 50 0 EFAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Cl ZINC000101429398 219127489 /nfs/dbraw/zinc/12/74/89/219127489.db2.gz QACDKMVFVUKOML-RYUDHWBXSA-N 0 0 332.787 2.620 50 0 EFAARN COC(=O)c1cn(CC(C)C)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101450745 219127654 /nfs/dbraw/zinc/12/76/54/219127654.db2.gz PDSOURPIXPOUQG-UHFFFAOYSA-N 0 0 325.368 2.581 50 0 EFAARN Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(F)cc1F ZINC000004316589 210169483 /nfs/dbraw/zinc/16/94/83/210169483.db2.gz DUSAHXLRGFGNJY-UHFFFAOYSA-N 0 0 340.293 2.845 50 0 EFAARN COc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N ZINC000004316521 210168604 /nfs/dbraw/zinc/16/86/04/210168604.db2.gz QVHWAOOCQKKACQ-UHFFFAOYSA-N 0 0 334.339 2.575 50 0 EFAARN O=C(c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000004301973 210164178 /nfs/dbraw/zinc/16/41/78/210164178.db2.gz LCKKXPPMKDFICM-CQSZACIVSA-N 0 0 335.450 2.578 50 0 EFAARN O=C(c1ccccc1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004302103 210163931 /nfs/dbraw/zinc/16/39/31/210163931.db2.gz SGZKFXAESFDRKV-QGZVFWFLSA-N 0 0 347.411 2.655 50 0 EFAARN Cc1nn(C)cc1-c1ccnc(N(C)C[C@H]2Cc3ccccc3O2)n1 ZINC000048345573 213926094 /nfs/dbraw/zinc/92/60/94/213926094.db2.gz YOBSYAVBYQPLRH-OAHLLOKOSA-N 0 0 335.411 2.625 50 0 EFAARN CCCCCC[NH2+][C@H](CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000004280063 210160619 /nfs/dbraw/zinc/16/06/19/210160619.db2.gz PIRLKGOKNZZKEZ-MRXNPFEDSA-N 0 0 334.416 2.841 50 0 EFAARN COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1S(C)(=O)=O ZINC000004278752 210159277 /nfs/dbraw/zinc/15/92/77/210159277.db2.gz BWOVBSIQJIJWCZ-INIZCTEOSA-N 0 0 330.409 2.806 50 0 EFAARN Cc1ccc(-n2ncc3c2ncn(Cc2ccccn2)c3=O)c(C)c1 ZINC000004273146 210158010 /nfs/dbraw/zinc/15/80/10/210158010.db2.gz FFCGAUFOLKAYLQ-UHFFFAOYSA-N 0 0 331.379 2.642 50 0 EFAARN CC(=O)CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1 ZINC000004269192 210156786 /nfs/dbraw/zinc/15/67/86/210156786.db2.gz NPGQDABFKUPAOL-UHFFFAOYSA-N 0 0 333.804 2.604 50 0 EFAARN CCCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000004270053 210156457 /nfs/dbraw/zinc/15/64/57/210156457.db2.gz GMZMQBJBTUEKEN-UHFFFAOYSA-N 0 0 338.407 2.886 50 0 EFAARN Cc1ccc(C)c(Cn2cnc3c(nnn3-c3ccccc3)c2=O)c1 ZINC000004266707 210155143 /nfs/dbraw/zinc/15/51/43/210155143.db2.gz XXOOLQICCHWSIZ-UHFFFAOYSA-N 0 0 331.379 2.642 50 0 EFAARN CC[C@@H](CO)N(Cc1ccco1)C(=O)c1sccc1NC(C)=O ZINC000065371257 214876909 /nfs/dbraw/zinc/87/69/09/214876909.db2.gz WYAIKHBZEJCVCE-LBPRGKRZSA-N 0 0 336.413 2.713 50 0 EFAARN O=c1[nH]c(SCc2ccc(Br)cc2)nc2[nH]ncc21 ZINC000004249763 210152844 /nfs/dbraw/zinc/15/28/44/210152844.db2.gz QWQPBDYVMBVONH-UHFFFAOYSA-N 0 0 337.202 2.701 50 0 EFAARN COc1ccc(C(=O)NCCc2cn3cccc(C)c3n2)c(OC)c1 ZINC000004248464 210151443 /nfs/dbraw/zinc/15/14/43/210151443.db2.gz MANMVXDYZNYNMU-UHFFFAOYSA-N 0 0 339.395 2.632 50 0 EFAARN COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000065385640 214883719 /nfs/dbraw/zinc/88/37/19/214883719.db2.gz HIDUWDXFMXDXQO-SFHVURJKSA-N 0 0 348.406 2.998 50 0 EFAARN O=C(NCc1noc(-c2ccco2)n1)c1ccccc1N1CCCC1 ZINC000065394426 214886766 /nfs/dbraw/zinc/88/67/66/214886766.db2.gz LLSQHYHZTWMZAU-UHFFFAOYSA-N 0 0 338.367 2.860 50 0 EFAARN Cc1nn(C)cc1-c1ccnc(NCc2nc(-c3ccccc3)no2)n1 ZINC000048170803 213893079 /nfs/dbraw/zinc/89/30/79/213893079.db2.gz XHDAQLDWEKWSGR-UHFFFAOYSA-N 0 0 347.382 2.848 50 0 EFAARN Cc1cccc2oc(CNC(=O)c3cnc(-c4cccnc4)nc3)nc21 ZINC000065396311 214888818 /nfs/dbraw/zinc/88/88/18/214888818.db2.gz AVZRCFMUZFVDOG-UHFFFAOYSA-N 0 0 345.362 2.918 50 0 EFAARN CC(C)(C)CC(=O)N1CCC(n2cc(C3(O)CCCC3)nn2)CC1 ZINC000065397418 214889865 /nfs/dbraw/zinc/88/98/65/214889865.db2.gz DEAFVNOZDNNBMI-UHFFFAOYSA-N 0 0 334.464 2.639 50 0 EFAARN CC(C)n1cc(C(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)cn1 ZINC000048139859 213891061 /nfs/dbraw/zinc/89/10/61/213891061.db2.gz LZXARFHDRJKQHU-UHFFFAOYSA-N 0 0 344.463 2.830 50 0 EFAARN CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000004190288 210142783 /nfs/dbraw/zinc/14/27/83/210142783.db2.gz OMGYENZLPRKBIY-XRGAULLZSA-N 0 0 337.375 2.565 50 0 EFAARN O=C(c1ccccc1F)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004182865 210141088 /nfs/dbraw/zinc/14/10/88/210141088.db2.gz PQFWNWHQHPASTJ-OAHLLOKOSA-N 0 0 347.411 2.655 50 0 EFAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccco1 ZINC000004171442 210138234 /nfs/dbraw/zinc/13/82/34/210138234.db2.gz VDXBNZAFHRBBFF-OAHLLOKOSA-N 0 0 327.340 2.555 50 0 EFAARN O=C(Cc1ccccc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004165389 210136829 /nfs/dbraw/zinc/13/68/29/210136829.db2.gz FSOBFQPNDGQNFK-KRWDZBQOSA-N 0 0 327.405 2.573 50 0 EFAARN CCSc1nnc(NC(=O)CN2CCC[C@@H]2c2ccccn2)s1 ZINC000065492601 214931541 /nfs/dbraw/zinc/93/15/41/214931541.db2.gz ZQHOLXWBSLASTO-GFCCVEGCSA-N 0 0 349.485 2.821 50 0 EFAARN CCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Cl ZINC000004152271 210133517 /nfs/dbraw/zinc/13/35/17/210133517.db2.gz XCWAVBSPVBREOY-CYBMUJFWSA-N 0 0 337.803 2.797 50 0 EFAARN O=c1c(=O)c(NCc2cccc(Cl)c2)c1NCc1ccncc1 ZINC000101697333 219156996 /nfs/dbraw/zinc/15/69/96/219156996.db2.gz UVPCJDRRLJYSRU-UHFFFAOYSA-N 0 0 327.771 2.555 50 0 EFAARN CCn1cnnc1CN(C)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000065532991 214950292 /nfs/dbraw/zinc/95/02/92/214950292.db2.gz GPUNYKMCGUSTLS-UHFFFAOYSA-N 0 0 341.440 2.623 50 0 EFAARN C[C@@H](CCc1ccccc1)Nc1c(=O)c(=O)c1NCc1ccccn1 ZINC000101700867 219158075 /nfs/dbraw/zinc/15/80/75/219158075.db2.gz HTOGGFKVEYEWEF-AWEZNQCLSA-N 0 0 335.407 2.723 50 0 EFAARN Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ncccn2)cc1 ZINC000004118162 210125464 /nfs/dbraw/zinc/12/54/64/210125464.db2.gz VWJVQVZIPNLJGK-UHFFFAOYSA-N 0 0 337.470 2.634 50 0 EFAARN COc1ccc2c(ccn2CC(=O)N[C@@H](C)c2nnc3ccccn32)c1 ZINC000046788119 213808690 /nfs/dbraw/zinc/80/86/90/213808690.db2.gz UBMILMIVQCBRKW-ZDUSSCGKSA-N 0 0 349.394 2.570 50 0 EFAARN Cc1nonc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091737744 282428453 /nfs/dbraw/zinc/42/84/53/282428453.db2.gz WWCVQDOOUJGSSB-UHFFFAOYSA-N 0 0 332.448 2.525 50 0 EFAARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccccc1F ZINC000004107169 210122413 /nfs/dbraw/zinc/12/24/13/210122413.db2.gz JJSWQVKZPJIIBN-UHFFFAOYSA-N 0 0 341.298 2.899 50 0 EFAARN COc1ccc(S(=O)(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 ZINC000004108133 210122424 /nfs/dbraw/zinc/12/24/24/210122424.db2.gz NGQPNEDNLQHVLT-LBPRGKRZSA-N 0 0 346.408 2.621 50 0 EFAARN CCCCc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 ZINC000004089015 210117879 /nfs/dbraw/zinc/11/78/79/210117879.db2.gz HFYXXCYYBBRUTM-UHFFFAOYSA-N 0 0 329.425 2.944 50 0 EFAARN COC(=O)c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000004084490 210116304 /nfs/dbraw/zinc/11/63/04/210116304.db2.gz RYMVBMUYVYGZAQ-UHFFFAOYSA-N 0 0 331.368 2.642 50 0 biogenic EFAARN COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N(C)Cc1ccc(C)o1 ZINC000101801637 219165309 /nfs/dbraw/zinc/16/53/09/219165309.db2.gz ORMURCZPUWEWRQ-OAHLLOKOSA-N 0 0 328.368 2.681 50 0 EFAARN CC(C)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1 ZINC000004087013 210115793 /nfs/dbraw/zinc/11/57/93/210115793.db2.gz FYGZFLINYJGLBP-UHFFFAOYSA-N 0 0 343.452 2.866 50 0 EFAARN CCSc1nnc(NC(=O)c2ccc(OC)cc2OC)s1 ZINC000004072014 210113060 /nfs/dbraw/zinc/11/30/60/210113060.db2.gz FNMSKVCMCIZGKZ-UHFFFAOYSA-N 0 0 325.415 2.920 50 0 EFAARN O=C(NC(=S)Nc1ccc(Br)cn1)c1ccco1 ZINC000004082368 210115012 /nfs/dbraw/zinc/11/50/12/210115012.db2.gz XYAUPFPBHYRFTR-UHFFFAOYSA-N 0 0 326.175 2.564 50 0 EFAARN CCOC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000004078383 210114306 /nfs/dbraw/zinc/11/43/06/210114306.db2.gz USZWPHCTKCAYFY-UHFFFAOYSA-N 0 0 341.389 2.585 50 0 EFAARN Cc1ccc(CN2C(=O)C(=O)N(OCc3ccc(F)cc3)C2=O)cc1 ZINC000004060286 210110766 /nfs/dbraw/zinc/11/07/66/210110766.db2.gz SPTPCECLSNYGIP-UHFFFAOYSA-N 0 0 342.326 2.557 50 0 EFAARN COc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c(OC)c1 ZINC000004046107 210107884 /nfs/dbraw/zinc/10/78/84/210107884.db2.gz DSGLAIBQDIDFRN-INIZCTEOSA-N 0 0 338.363 2.597 50 0 biogenic EFAARN CC(C)(C)OC(=O)n1ncc2cc(I)cnc21 ZINC000066054382 215004926 /nfs/dbraw/zinc/00/49/26/215004926.db2.gz OEWBCEOBCVBANN-UHFFFAOYSA-N 0 0 345.140 2.819 50 0 EFAARN O=C(CCc1ccccc1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000045960981 213769929 /nfs/dbraw/zinc/76/99/29/213769929.db2.gz WJGSFUISXKTRGL-UHFFFAOYSA-N 0 0 327.775 2.887 50 0 EFAARN O=C1CN(Cc2ccccc2Cl)C(=O)[C@H]2Cc3ccccc3CN12 ZINC000004038559 210106210 /nfs/dbraw/zinc/10/62/10/210106210.db2.gz CFASUFZZUHDVGQ-QGZVFWFLSA-N 0 0 340.810 2.636 50 0 biogenic EFAARN COc1ccc2[nH]c(=O)c(COC(=O)c3ccccc3OC)cc2c1 ZINC000003985024 210097808 /nfs/dbraw/zinc/09/78/08/210097808.db2.gz JHUWTBGPMVDLMD-UHFFFAOYSA-N 0 0 339.347 2.902 50 0 biogenic EFAARN COC(=O)c1sccc1Oc1ccccc1NS(C)(=O)=O ZINC000003997508 210097818 /nfs/dbraw/zinc/09/78/18/210097818.db2.gz YWUGMNRIVUGTRZ-UHFFFAOYSA-N 0 0 327.383 2.699 50 0 EFAARN O=C(Nc1ccccc1)[C@@H]1CC=CC[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000003995479 210097085 /nfs/dbraw/zinc/09/70/85/210097085.db2.gz CZCCSGOHGQOHTD-BBWFWOEESA-N 0 0 329.396 2.930 50 0 EFAARN CCOc1ccccc1C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O ZINC000003908705 210091147 /nfs/dbraw/zinc/09/11/47/210091147.db2.gz HBIRETLWTFQWJM-UHFFFAOYSA-N 0 0 328.372 2.740 50 0 EFAARN C[C@@H]1CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCOC1)O2 ZINC000003881354 210083541 /nfs/dbraw/zinc/08/35/41/210083541.db2.gz UMRJYIFXXDLEKW-LFGUEBOJSA-N 0 0 338.488 2.900 50 0 biogenic EFAARN Cc1scc(C(=O)Nn2c(=O)c3ccccc3[nH]c2=S)c1C ZINC000102228903 219191265 /nfs/dbraw/zinc/19/12/65/219191265.db2.gz URIFLVDMDYDCIX-UHFFFAOYSA-N 0 0 331.422 2.747 50 0 EFAARN CCc1c(C)scc1C(=O)NN1C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000102307013 219193751 /nfs/dbraw/zinc/19/37/51/219193751.db2.gz DPYXJNKOUUOECB-KBPBESRZSA-N 0 0 346.452 2.995 50 0 EFAARN Cc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1 ZINC000003659305 210072179 /nfs/dbraw/zinc/07/21/79/210072179.db2.gz TUFDCNSCLXUTSY-GZTJUZNOSA-N 0 0 349.390 2.835 50 0 EFAARN COc1cc(I)c(C=O)cc1Br ZINC000066352265 215035983 /nfs/dbraw/zinc/03/59/83/215035983.db2.gz YLYKODXTVWYWHT-UHFFFAOYSA-N 0 0 340.942 2.875 50 0 EFAARN COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1 ZINC000003625097 210069379 /nfs/dbraw/zinc/06/93/79/210069379.db2.gz SBVOYIPYNKZOFO-UHFFFAOYSA-N 0 0 345.424 2.537 50 0 EFAARN Cc1cc2c(c(C)c1)[C@@H](CC(=O)NCCc1ncccc1C)C(=O)N2 ZINC000102379184 219198878 /nfs/dbraw/zinc/19/88/78/219198878.db2.gz MNEXFIUKEWMBQU-OAHLLOKOSA-N 0 0 337.423 2.792 50 0 EFAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1OC ZINC000003619274 210066853 /nfs/dbraw/zinc/06/68/53/210066853.db2.gz OSOUGOOTXCAOPG-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000003588023 210058999 /nfs/dbraw/zinc/05/89/99/210058999.db2.gz ORUKADIZZKBWRV-GXTWGEPZSA-N 0 0 345.472 2.664 50 0 EFAARN COc1ccc(NC(=O)CNC(=O)c2ccccc2OC)cc1Cl ZINC000003569932 210057515 /nfs/dbraw/zinc/05/75/15/210057515.db2.gz BHCUVUAIYCLLHP-UHFFFAOYSA-N 0 0 348.786 2.726 50 0 EFAARN CCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O ZINC000003550371 210051380 /nfs/dbraw/zinc/05/13/80/210051380.db2.gz PNMNOHBSXONFDU-UHFFFAOYSA-N 0 0 326.352 2.606 50 0 EFAARN Cc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 ZINC000003471455 210048267 /nfs/dbraw/zinc/04/82/67/210048267.db2.gz AQPFJTVMYYRFAH-NSHDSACASA-N 0 0 347.367 2.920 50 0 EFAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 ZINC000003474113 210048482 /nfs/dbraw/zinc/04/84/82/210048482.db2.gz UMEUDGSLOVDCOF-UHFFFAOYSA-N 0 0 334.759 2.929 50 0 EFAARN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1 ZINC000102608884 219214095 /nfs/dbraw/zinc/21/40/95/219214095.db2.gz FFKQHNPJDRHMAC-ZDUSSCGKSA-N 0 0 326.352 2.811 50 0 EFAARN NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 ZINC000003452418 210044227 /nfs/dbraw/zinc/04/42/27/210044227.db2.gz XONICWASDPQVSS-UHFFFAOYSA-N 0 0 325.393 2.967 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(F)cc1F ZINC000003435355 210038252 /nfs/dbraw/zinc/03/82/52/210038252.db2.gz CHVVJPJZOHCMRG-UHFFFAOYSA-N 0 0 349.289 2.547 50 0 EFAARN COc1ccc(Cc2nnc3sc(-c4coc(C)n4)nn23)cc1 ZINC000044891670 213660484 /nfs/dbraw/zinc/66/04/84/213660484.db2.gz UVZQYTVTKWTAIM-UHFFFAOYSA-N 0 0 327.369 2.749 50 0 EFAARN COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccc(C)cc2)c1 ZINC000003423222 210036657 /nfs/dbraw/zinc/03/66/57/210036657.db2.gz DFTVRQXSMYEKKB-ZHACJKMWSA-N 0 0 339.391 2.876 50 0 EFAARN O=C(COC(=O)c1cccc(F)c1)NCCc1ccc(Cl)cc1 ZINC000003404877 210029676 /nfs/dbraw/zinc/02/96/76/210029676.db2.gz JGEWEMTWRNHCID-UHFFFAOYSA-N 0 0 335.762 2.995 50 0 EFAARN CCN(C(=O)COC(=O)c1cc(OC)cc(OC)c1)c1ccccc1 ZINC000003399821 210028655 /nfs/dbraw/zinc/02/86/55/210028655.db2.gz GJNBBWRUBSQYOW-UHFFFAOYSA-N 0 0 343.379 2.914 50 0 EFAARN Cc1ccc(CNC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 ZINC000003400062 210027896 /nfs/dbraw/zinc/02/78/96/210027896.db2.gz IGLWSIQEQOJVFL-UHFFFAOYSA-N 0 0 326.396 2.534 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000003386840 210024953 /nfs/dbraw/zinc/02/49/53/210024953.db2.gz YCWYUPLBDNMBJR-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN COc1ccc(C)cc1NC(=O)COC(=O)COc1ccccc1 ZINC000003388730 210025088 /nfs/dbraw/zinc/02/50/88/210025088.db2.gz NEVBVKCWSMVULJ-UHFFFAOYSA-N 0 0 329.352 2.564 50 0 EFAARN COc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000003391988 210024874 /nfs/dbraw/zinc/02/48/74/210024874.db2.gz HUACBEXHNKPTGF-UHFFFAOYSA-N 0 0 347.798 2.864 50 0 EFAARN COc1cc(NC(=O)COC(=O)c2sccc2C)cc(OC)c1 ZINC000003384374 210023587 /nfs/dbraw/zinc/02/35/87/210023587.db2.gz GAOZVKNGROHDSK-UHFFFAOYSA-N 0 0 335.381 2.869 50 0 EFAARN Cc1cc(-c2nc([C@@H]3CC(=O)N(Cc4cccc(C)c4)C3)no2)n[nH]1 ZINC000044430372 213623518 /nfs/dbraw/zinc/62/35/18/213623518.db2.gz GUFMIARYVYOFND-CQSZACIVSA-N 0 0 337.383 2.593 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1OC ZINC000003384854 210023937 /nfs/dbraw/zinc/02/39/37/210023937.db2.gz SUWNTOAWSBNUIO-UHFFFAOYSA-N 0 0 335.381 2.869 50 0 EFAARN COc1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2)c1OC ZINC000003385364 210023636 /nfs/dbraw/zinc/02/36/36/210023636.db2.gz AHLOWGWBUGVMFN-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN CCc1ccccc1NC(=O)C[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000003354667 210016529 /nfs/dbraw/zinc/01/65/29/210016529.db2.gz GUOSOPFOVFOUAQ-QGZVFWFLSA-N 0 0 326.396 2.821 50 0 EFAARN Cc1cc(C)n(C(=O)c2nnn(-c3ccc(C)cc3)c2-n2cccc2)n1 ZINC000067172729 215120913 /nfs/dbraw/zinc/12/09/13/215120913.db2.gz QOGLFEKPBXUIOS-UHFFFAOYSA-N 0 0 346.394 2.868 50 0 EFAARN CC(C)Cn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O ZINC000003318992 210005725 /nfs/dbraw/zinc/00/57/25/210005725.db2.gz JIAHTHDQXWCDRA-UHFFFAOYSA-N 0 0 333.457 2.669 50 0 EFAARN CN(Cc1nnc2sc(-c3cccnc3)nn12)Cc1ccccc1 ZINC000067239866 215126284 /nfs/dbraw/zinc/12/62/84/215126284.db2.gz RMGJYMJECZYSSA-UHFFFAOYSA-N 0 0 336.424 2.880 50 0 EFAARN CC[C@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C ZINC000067235906 215126716 /nfs/dbraw/zinc/12/67/16/215126716.db2.gz FXUHBMDDAZREQP-JTQLQIEISA-N 0 0 336.461 2.621 50 0 EFAARN CCCCn1c(SCC(=O)N2CCCC2)nc2cc(C)[nH]c2c1=O ZINC000067238299 215126945 /nfs/dbraw/zinc/12/69/45/215126945.db2.gz JONWQKDINTZMOH-UHFFFAOYSA-N 0 0 348.472 2.548 50 0 EFAARN COc1ccc(CNC(=O)c2cn(-c3ccc(F)c(C)c3)nn2)cc1 ZINC000067261961 215128899 /nfs/dbraw/zinc/12/88/99/215128899.db2.gz WGVQEZDPVGEAJF-UHFFFAOYSA-N 0 0 340.358 2.653 50 0 EFAARN CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000067225304 215125294 /nfs/dbraw/zinc/12/52/94/215125294.db2.gz ULKMLGRIECBBJU-UHFFFAOYSA-N 0 0 329.404 2.529 50 0 EFAARN CC[C@@H](C)n1c(SCC(=O)N2CCCC2)nc2cc(C)[nH]c2c1=O ZINC000067238661 215126047 /nfs/dbraw/zinc/12/60/47/215126047.db2.gz OOYUIGHHPLZMSL-GFCCVEGCSA-N 0 0 348.472 2.719 50 0 EFAARN COc1cc(NC(=O)COc2ccc(C(C)=O)cc2)cc(OC)c1 ZINC000003268263 209993381 /nfs/dbraw/zinc/99/33/81/209993381.db2.gz IJIMDVKRBADQJF-UHFFFAOYSA-N 0 0 329.352 2.924 50 0 EFAARN CNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000067338928 215134634 /nfs/dbraw/zinc/13/46/34/215134634.db2.gz FHVNSCDVLYPDJG-UHFFFAOYSA-N 0 0 338.816 2.525 50 0 EFAARN O=C(NCc1ccccc1)c1sccc1NC(=O)c1cnccn1 ZINC000067335475 215135299 /nfs/dbraw/zinc/13/52/99/215135299.db2.gz KRSXOLQREJKULL-UHFFFAOYSA-N 0 0 338.392 2.720 50 0 EFAARN CCc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cnc(NC(C)C)nc2)C1 ZINC000067431828 215143543 /nfs/dbraw/zinc/14/35/43/215143543.db2.gz FGOYXKSNGSVPHH-CQSZACIVSA-N 0 0 342.447 2.602 50 0 EFAARN COc1ccc(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)c(OC)c1C ZINC000067432192 215144354 /nfs/dbraw/zinc/14/43/54/215144354.db2.gz ICEOZCYTKBIXPZ-CQSZACIVSA-N 0 0 346.427 2.932 50 0 EFAARN Cc1ccccc1SCC(=O)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000067447245 215146708 /nfs/dbraw/zinc/14/67/08/215146708.db2.gz VVXLLCIIHDGYFW-GOSISDBHSA-N 0 0 332.469 2.558 50 0 EFAARN CCN(C[C@@H]1CCCO1)C(=O)Cc1cc(=O)oc2cc(C)ccc12 ZINC000067446915 215147017 /nfs/dbraw/zinc/14/70/17/215147017.db2.gz SEQNKYWXDIQPKC-HNNXBMFYSA-N 0 0 329.396 2.671 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)C(=O)c1cccs1 ZINC000067473266 215152487 /nfs/dbraw/zinc/15/24/87/215152487.db2.gz VDBWBXUJTVHIEM-UHFFFAOYSA-N 0 0 325.393 2.775 50 0 EFAARN CC[C@]1(O)CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 ZINC000067489826 215153678 /nfs/dbraw/zinc/15/36/78/215153678.db2.gz VBJYOUKIUSYDCU-SFHVURJKSA-N 0 0 347.390 2.505 50 0 EFAARN CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@]1(C)CCCO1 ZINC000067490818 215154155 /nfs/dbraw/zinc/15/41/55/215154155.db2.gz XYRJIMDVZGBCFR-HXUWFJFHSA-N 0 0 339.439 2.903 50 0 EFAARN CN(C[C@@H]1CCCO1)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000067490814 215155168 /nfs/dbraw/zinc/15/51/68/215155168.db2.gz JKWMXOBPQXGTHO-AWEZNQCLSA-N 0 0 334.347 2.644 50 0 EFAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)nc2)C1 ZINC000067541234 215159673 /nfs/dbraw/zinc/15/96/73/215159673.db2.gz UYCYFFOUBPKJDI-HNNXBMFYSA-N 0 0 340.427 2.939 50 0 EFAARN Cc1nc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(N(C)C)n1 ZINC000067620829 215169131 /nfs/dbraw/zinc/16/91/31/215169131.db2.gz HQMRXGGWDIRJMQ-HNNXBMFYSA-N 0 0 341.415 2.712 50 0 EFAARN O=C(c1cnccn1)N1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000067605952 215169500 /nfs/dbraw/zinc/16/95/00/215169500.db2.gz WLORUXJAWSIQMZ-INIZCTEOSA-N 0 0 331.379 2.563 50 0 EFAARN CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000067604736 215167407 /nfs/dbraw/zinc/16/74/07/215167407.db2.gz YBUSLVZMACNHOF-UHFFFAOYSA-N 0 0 338.816 2.525 50 0 EFAARN Cc1[nH]c2ccccc2c1CC(=O)NCc1nc(-c2cccnc2)no1 ZINC000067649219 215174579 /nfs/dbraw/zinc/17/45/79/215174579.db2.gz VTSSHGGXTCODFN-UHFFFAOYSA-N 0 0 347.378 2.780 50 0 EFAARN C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)[nH]c2C1 ZINC000067630989 215170700 /nfs/dbraw/zinc/17/07/00/215170700.db2.gz XBTHEZZDVFZQCG-QMMMGPOBSA-N 0 0 332.306 2.670 50 0 EFAARN O=C1CCCN1CCCn1ccnc1-c1ccc2c(c1)OC(F)(F)O2 ZINC000067642472 215172349 /nfs/dbraw/zinc/17/23/49/215172349.db2.gz UMBIPXGLHFNWRS-UHFFFAOYSA-N 0 0 349.337 2.884 50 0 EFAARN CCN(CC)c1ncccc1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC000067641833 215172525 /nfs/dbraw/zinc/17/25/25/215172525.db2.gz NRXLYCUTAHPCPN-GOSISDBHSA-N 0 0 339.439 2.938 50 0 EFAARN Cn1ccnc1[C@@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)C1CC1 ZINC000067674361 215179315 /nfs/dbraw/zinc/17/93/15/215179315.db2.gz ANQAIGDEUHFQTJ-INIZCTEOSA-N 0 0 339.374 2.830 50 0 EFAARN CCc1nccn1Cc1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 ZINC000067675613 215180785 /nfs/dbraw/zinc/18/07/85/215180785.db2.gz QTJONPJMYHAFLW-GOSISDBHSA-N 0 0 342.374 2.722 50 0 EFAARN COCC(=O)NC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067675915 215181113 /nfs/dbraw/zinc/18/11/13/215181113.db2.gz UTYJYYJHNNYBPW-LLVKDONJSA-N 0 0 331.243 2.578 50 0 EFAARN CCOc1ncccc1C(=O)N(C)CCc1nc2cc(F)ccc2[nH]1 ZINC000067677985 215182351 /nfs/dbraw/zinc/18/23/51/215182351.db2.gz VYLPKISWAAVHGO-UHFFFAOYSA-N 0 0 342.374 2.810 50 0 EFAARN C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccnn1S(C)(=O)=O ZINC000003016422 209954649 /nfs/dbraw/zinc/95/46/49/209954649.db2.gz JFGCZYJPVCDKRX-VIFPVBQESA-N 0 0 334.319 2.850 50 0 EFAARN Cc1nn(CCO)cc1CN1CCC[C@H]1c1nc2c(cccc2C)[nH]1 ZINC000067692501 215187238 /nfs/dbraw/zinc/18/72/38/215187238.db2.gz STPDNEVLSZVWHN-KRWDZBQOSA-N 0 0 339.443 2.706 50 0 EFAARN CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1ccncc1C)C2 ZINC000067695215 215187299 /nfs/dbraw/zinc/18/72/99/215187299.db2.gz VDEYFQJONDPGQK-OAHLLOKOSA-N 0 0 342.443 2.684 50 0 EFAARN O=C1CCCN1CCCn1ccnc1-c1cccc(-n2cccn2)c1 ZINC000067726923 215195730 /nfs/dbraw/zinc/19/57/30/215195730.db2.gz KOZCHELQQIIJCE-UHFFFAOYSA-N 0 0 335.411 2.748 50 0 EFAARN Cc1cc(C)c(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)c(=O)[nH]1 ZINC000067725861 215196544 /nfs/dbraw/zinc/19/65/44/215196544.db2.gz ZRFBPZHBTGGFSW-UHFFFAOYSA-N 0 0 327.359 2.884 50 0 EFAARN CCCc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)no1 ZINC000067726119 215196550 /nfs/dbraw/zinc/19/65/50/215196550.db2.gz JBXNDXWLOQJPTC-UHFFFAOYSA-N 0 0 327.363 2.926 50 0 EFAARN COCCC(=O)N1CCC(c2n[nH]cc2-c2cccc(OC)c2)CC1 ZINC000067739624 215199329 /nfs/dbraw/zinc/19/93/29/215199329.db2.gz WLGGKLANZXPOBZ-UHFFFAOYSA-N 0 0 343.427 2.828 50 0 EFAARN CCNc1ncc(C(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000067742210 215200121 /nfs/dbraw/zinc/20/01/21/215200121.db2.gz SJIWBUUEDZGMAR-UHFFFAOYSA-N 0 0 344.806 2.710 50 0 EFAARN CN(CCCC1CCCC1)C(=O)c1cc(CN2CCC[C@@H](O)C2)on1 ZINC000067755969 215204694 /nfs/dbraw/zinc/20/46/94/215204694.db2.gz XCFZLNHQWYZSMK-MRXNPFEDSA-N 0 0 349.475 2.674 50 0 EFAARN Cc1cc(Cl)ccc1OCCNC(=S)NC(=O)c1cccnc1 ZINC000002987906 209950804 /nfs/dbraw/zinc/95/08/04/209950804.db2.gz GUWKGIOTRJNXFH-UHFFFAOYSA-N 0 0 349.843 2.727 50 0 EFAARN O=C1CCCN1CCCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 ZINC000067773420 215208904 /nfs/dbraw/zinc/20/89/04/215208904.db2.gz PINRLAUXNNSWIS-UHFFFAOYSA-N 0 0 335.411 2.953 50 0 EFAARN COc1ccccc1OCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 ZINC000067758289 215206492 /nfs/dbraw/zinc/20/64/92/215206492.db2.gz JMOKVMGNNBBZLI-GZBFAFLISA-N 0 0 341.411 2.916 50 0 EFAARN O=C(CCc1c[nH]c2ccccc12)NCc1n[nH]c(=O)c2ccccc12 ZINC000067786660 215211932 /nfs/dbraw/zinc/21/19/32/215211932.db2.gz OZRBRIPZFILVRB-UHFFFAOYSA-N 0 0 346.390 2.653 50 0 EFAARN Cc1ccoc1C(=O)NC[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000067785739 215212460 /nfs/dbraw/zinc/21/24/60/215212460.db2.gz QTQUXJDDCYJQOB-CQSZACIVSA-N 0 0 338.411 2.716 50 0 EFAARN OCc1csc(N2CCC[C@@](CO)(CCc3ccccc3)C2)n1 ZINC000067789023 215213238 /nfs/dbraw/zinc/21/32/38/215213238.db2.gz SDUGMJJWULAIIW-GOSISDBHSA-N 0 0 332.469 2.847 50 0 EFAARN O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000067790085 215213307 /nfs/dbraw/zinc/21/33/07/215213307.db2.gz VZSIBIYZFSMYQP-ICSRJNTNSA-N 0 0 339.439 2.699 50 0 EFAARN C[C@@H](C(=O)NCc1cccnc1N(C)Cc1ccccc1)n1ccnc1 ZINC000067789928 215213676 /nfs/dbraw/zinc/21/36/76/215213676.db2.gz 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COc1ccc2c(ccn2CCC(=O)N=c2[nH]c3ccccc3[nH]2)c1 ZINC000013688743 211610154 /nfs/dbraw/zinc/61/01/54/211610154.db2.gz CVZCQASZHPPJPR-UHFFFAOYSA-N 0 0 334.379 2.977 50 0 EFAARN CC[C@@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccccc1OC ZINC000013572989 211584314 /nfs/dbraw/zinc/58/43/14/211584314.db2.gz HYLXBLFVHHRMKZ-GFCCVEGCSA-N 0 0 343.412 2.871 50 0 EFAARN Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCO4)C2)no1 ZINC000426386933 247272093 /nfs/dbraw/zinc/27/20/93/247272093.db2.gz QUZPHNXERJJOOC-HNNXBMFYSA-N 0 0 327.384 2.723 50 0 EFAARN CC(C)c1cc(CN(C)C(=O)c2cc3c(n(C)c2=O)CCCC3)on1 ZINC000426387224 247272406 /nfs/dbraw/zinc/27/24/06/247272406.db2.gz HKBNJQSXQCLIFK-UHFFFAOYSA-N 0 0 343.427 2.648 50 0 EFAARN Cn1ccnc1[C@H](NC(=O)c1cccc(-c2cccc(N)n2)c1)C1CC1 ZINC000426382850 247272928 /nfs/dbraw/zinc/27/29/28/247272928.db2.gz AVZIMWSGKNTRAX-GOSISDBHSA-N 0 0 347.422 2.945 50 0 EFAARN O=C(C1CC1)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426388037 247273508 /nfs/dbraw/zinc/27/35/08/247273508.db2.gz 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/nfs/dbraw/zinc/28/24/72/247282472.db2.gz CDODPEOPWSPFLX-LLVKDONJSA-N 0 0 328.338 2.910 50 0 EFAARN COCc1nc(C)c(CNC(=O)c2ccc3c(c2)CCCO3)s1 ZINC000426465107 247282669 /nfs/dbraw/zinc/28/26/69/247282669.db2.gz GPEUEHWCZVWEMP-UHFFFAOYSA-N 0 0 332.425 2.853 50 0 EFAARN CCNC(=S)Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1 ZINC000013520108 211571689 /nfs/dbraw/zinc/57/16/89/211571689.db2.gz SUUWANGKSWYISP-UHFFFAOYSA-N 0 0 346.500 2.829 50 0 EFAARN Cc1nc(CCNC(=O)c2ccc3c(c2)CCCO3)nc2c1CCC2 ZINC000426470767 247282874 /nfs/dbraw/zinc/28/28/74/247282874.db2.gz CFDAYWYOOZOSLI-UHFFFAOYSA-N 0 0 337.423 2.571 50 0 EFAARN O=C(NCc1[nH]nc2c1CCC2)N1CCCC[C@@H]1c1nccs1 ZINC000426475307 247284898 /nfs/dbraw/zinc/28/48/98/247284898.db2.gz BGNBVDFUNBCLPP-CQSZACIVSA-N 0 0 331.445 2.792 50 0 EFAARN Cc1cc(C(=O)NCCc2nccn2C)c2cccc(Cl)c2n1 ZINC000426475451 247285401 /nfs/dbraw/zinc/28/54/01/247285401.db2.gz PGIHPGQUWOYGAK-UHFFFAOYSA-N 0 0 328.803 2.903 50 0 EFAARN COc1cc(OC)nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 ZINC000426477442 247285727 /nfs/dbraw/zinc/28/57/27/247285727.db2.gz TVBMARBOFHNCFD-CYBMUJFWSA-N 0 0 329.400 2.554 50 0 EFAARN CC[C@H](NC(=O)c1cn2cc(Cl)cnc2n1)c1ncccc1C ZINC000426487742 247286797 /nfs/dbraw/zinc/28/67/97/247286797.db2.gz YYEBCUDDBYXUHE-LBPRGKRZSA-N 0 0 329.791 2.967 50 0 EFAARN Cc1ccc([C@]2(C(=O)NCCSc3c[nH]nn3)CC2(C)C)cc1 ZINC000426488493 247287541 /nfs/dbraw/zinc/28/75/41/247287541.db2.gz ZFEHZUCFVOEKDZ-KRWDZBQOSA-N 0 0 330.457 2.689 50 0 EFAARN CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2ncccc2N)cc1 ZINC000426490137 247287639 /nfs/dbraw/zinc/28/76/39/247287639.db2.gz FPFOWSHMWVYCOY-MRXNPFEDSA-N 0 0 325.412 2.972 50 0 EFAARN C[C@@H](C(=O)NCc1nc2ccccc2o1)c1n[nH]c(=O)c2ccccc21 ZINC000426493912 247287835 /nfs/dbraw/zinc/28/78/35/247287835.db2.gz CUCQXXMRFSLGQI-LLVKDONJSA-N 0 0 348.362 2.897 50 0 EFAARN Cn1nc(C(=O)N2CCC(c3ncon3)CC2)cc1-c1cccs1 ZINC000426504002 247288119 /nfs/dbraw/zinc/28/81/19/247288119.db2.gz NKUXUIRYGMIQRZ-UHFFFAOYSA-N 0 0 343.412 2.551 50 0 EFAARN Cc1ncsc1CCCNC(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000426496976 247288369 /nfs/dbraw/zinc/28/83/69/247288369.db2.gz RKSBBHCMJMRAKS-AWEZNQCLSA-N 0 0 345.472 2.763 50 0 EFAARN Cc1c(CNC(=O)N2CCCC[C@H]2CCc2ccccn2)cnn1C ZINC000426503303 247288580 /nfs/dbraw/zinc/28/85/80/247288580.db2.gz MXKAEMDZXKDFIT-SFHVURJKSA-N 0 0 341.459 2.820 50 0 EFAARN COc1ccc(CNC(=O)N(C)CCc2scnc2C)cc1OC ZINC000426496988 247289311 /nfs/dbraw/zinc/28/93/11/247289311.db2.gz SDNJZHMSXINVBG-UHFFFAOYSA-N 0 0 349.456 2.853 50 0 EFAARN Cc1ccc(CN(CCCO)C(=O)NCc2cc(C3CC3)n[nH]2)s1 ZINC000426511581 247290491 /nfs/dbraw/zinc/29/04/91/247290491.db2.gz FUSKTVOJUHNTLG-UHFFFAOYSA-N 0 0 348.472 2.751 50 0 EFAARN CN1CCc2n[nH]c(C(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)c2C1 ZINC000426508120 247290698 /nfs/dbraw/zinc/29/06/98/247290698.db2.gz QRTUVQPBLBFJRH-INIZCTEOSA-N 0 0 338.455 2.663 50 0 EFAARN Cn1c(=O)cc(C(=O)N[C@H]2COC3(C2)CCCCC3)c2ccccc21 ZINC000426512177 247290718 /nfs/dbraw/zinc/29/07/18/247290718.db2.gz OEYPROGNISELCI-CQSZACIVSA-N 0 0 340.423 2.760 50 0 EFAARN CCn1cc(CN(CCOC)C(=O)NCc2sccc2C)cn1 ZINC000426514820 247291156 /nfs/dbraw/zinc/29/11/56/247291156.db2.gz OXKACGOREJPKBJ-UHFFFAOYSA-N 0 0 336.461 2.631 50 0 EFAARN Cc1cccc2nc(CNC(=O)N(C)Cc3cc(C4CC4)on3)cn21 ZINC000426575066 247292112 /nfs/dbraw/zinc/29/21/12/247292112.db2.gz SGGLQQPXGQTOQC-UHFFFAOYSA-N 0 0 339.399 2.850 50 0 EFAARN CC(C)n1cc(NC(=O)N(C)Cc2nc(-c3ccncc3)no2)cn1 ZINC000426574972 247292606 /nfs/dbraw/zinc/29/26/06/247292606.db2.gz GVBMTEXVGOEAQG-UHFFFAOYSA-N 0 0 341.375 2.573 50 0 EFAARN CCC[C@H](CO)NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)cc1 ZINC000426574960 247292907 /nfs/dbraw/zinc/29/29/07/247292907.db2.gz DLJTZAVOHHZCGJ-QGZVFWFLSA-N 0 0 340.423 2.652 50 0 EFAARN COc1ccc(CN(C)C(=O)[C@H](C)n2ccnc2C)c2cccnc12 ZINC000426727552 247293509 /nfs/dbraw/zinc/29/35/09/247293509.db2.gz VXKGEUQDOVRWHN-ZDUSSCGKSA-N 0 0 338.411 2.968 50 0 EFAARN COc1cc(CN2CCN(c3ccccc3OC)C(=O)C2)ccc1F ZINC000426730408 247294059 /nfs/dbraw/zinc/29/40/59/247294059.db2.gz LOONDKJJAKDEIX-UHFFFAOYSA-N 0 0 344.386 2.692 50 0 EFAARN O=C(NCc1[nH]nc2c1CCC2)N1CCc2c3ccccc3[nH]c2C1 ZINC000426368314 247268771 /nfs/dbraw/zinc/26/87/71/247268771.db2.gz NJNRPMAXFXPZFD-UHFFFAOYSA-N 0 0 335.411 2.648 50 0 EFAARN CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C ZINC000013331659 211549034 /nfs/dbraw/zinc/54/90/34/211549034.db2.gz XNECKURMICQLGM-UHFFFAOYSA-N 0 0 344.415 2.541 50 0 EFAARN COc1ccc(C[C@@H]2CN(C(=O)c3cc(C)oc3C)CCO2)cc1 ZINC000012835365 211466690 /nfs/dbraw/zinc/46/66/90/211466690.db2.gz HQTACSFIVPLYRI-QGZVFWFLSA-N 0 0 329.396 2.989 50 0 EFAARN Cc1cccc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)o2)c1 ZINC000012515891 211396086 /nfs/dbraw/zinc/39/60/86/211396086.db2.gz WVSYMUQOSJPPFC-UHFFFAOYSA-N 0 0 337.335 2.955 50 0 EFAARN CSCCCNC(=O)CCc1nnc(Cc2cccc(C)c2)o1 ZINC000012470532 211390126 /nfs/dbraw/zinc/39/01/26/211390126.db2.gz FRCWMCGYQNNVIU-UHFFFAOYSA-N 0 0 333.457 2.771 50 0 EFAARN O=C(NC[C@H]1CCCCO1)c1coc(COc2ccc(F)cc2)n1 ZINC000012469570 211390171 /nfs/dbraw/zinc/39/01/71/211390171.db2.gz FZLOILGTTDBOIG-CQSZACIVSA-N 0 0 334.347 2.692 50 0 EFAARN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3nonc3C)C2)cc1 ZINC000012457138 211389315 /nfs/dbraw/zinc/38/93/15/211389315.db2.gz BOLHEDNHYBCNRW-CYBMUJFWSA-N 0 0 345.424 2.835 50 0 EFAARN Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)s1 ZINC000012457945 211388011 /nfs/dbraw/zinc/38/80/11/211388011.db2.gz XVUYRRVNSIHMJH-AWEZNQCLSA-N 0 0 349.500 2.742 50 0 EFAARN Cc1cc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)nn1C ZINC000012443077 211385250 /nfs/dbraw/zinc/38/52/50/211385250.db2.gz XWOVZFCCMNYZFH-UHFFFAOYSA-N 0 0 347.375 2.648 50 0 EFAARN CC(C)C(=O)Nc1sc(SCC(N)=O)nc1-c1ccccc1 ZINC000012442816 211383495 /nfs/dbraw/zinc/38/34/95/211383495.db2.gz BWWNTNLYWQWUSF-UHFFFAOYSA-N 0 0 335.454 2.982 50 0 EFAARN O=C(NCc1cccnc1-n1ccnc1)c1cc(-c2ccccc2)on1 ZINC000012440008 211382139 /nfs/dbraw/zinc/38/21/39/211382139.db2.gz QERCQKHXOSAMCH-UHFFFAOYSA-N 0 0 345.362 2.852 50 0 EFAARN C[C@]12CC3CC(C(=O)NC(=S)N4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000012436846 211379399 /nfs/dbraw/zinc/37/93/99/211379399.db2.gz ZHGZBTLLWHQADW-DWLODGJJSA-N 0 0 336.501 2.716 50 0 EFAARN C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000012414239 211373849 /nfs/dbraw/zinc/37/38/49/211373849.db2.gz MNBQTFCXJCVEKS-JTDSTZFVSA-N 0 0 336.451 2.514 50 0 EFAARN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCCC1 ZINC000012374477 211359249 /nfs/dbraw/zinc/35/92/49/211359249.db2.gz ZEJAQXYQPAOPKP-UHFFFAOYSA-N 0 0 331.441 2.815 50 0 EFAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000012409289 211372122 /nfs/dbraw/zinc/37/21/22/211372122.db2.gz IFDAGXPGPPONGH-OAHLLOKOSA-N 0 0 325.412 2.643 50 0 EFAARN CCOC(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n(C)n1 ZINC000012410687 211371731 /nfs/dbraw/zinc/37/17/31/211371731.db2.gz MHPKDWORHBQTJM-UHFFFAOYSA-N 0 0 345.443 2.543 50 0 EFAARN CCCn1ccc2c(cnc3nc(-c4ccc(OC)cc4)nn32)c1=O ZINC000012407092 211370684 /nfs/dbraw/zinc/37/06/84/211370684.db2.gz HFKHRCPZZGLECQ-UHFFFAOYSA-N 0 0 335.367 2.525 50 0 EFAARN CCCNC(=O)c1cccc(NC(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000012406068 211370311 /nfs/dbraw/zinc/37/03/11/211370311.db2.gz TUDVIDWKTBDEQB-UHFFFAOYSA-N 0 0 340.379 2.865 50 0 EFAARN CCn1cc(C(=O)NCCCc2ccco2)c(=O)c2ccc(C)nc21 ZINC000012390532 211366931 /nfs/dbraw/zinc/36/69/31/211366931.db2.gz GPFPRNGUAQTJTM-UHFFFAOYSA-N 0 0 339.395 2.680 50 0 EFAARN O=C(Nc1ccccc1)c1cc(Br)ccc1-n1cnnn1 ZINC000012391258 211366119 /nfs/dbraw/zinc/36/61/19/211366119.db2.gz SRMVKUDRMBBHQE-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN COC(=O)c1cc2c(ccn(-c3ccc(F)c(F)c3)c2=O)nc1C ZINC000012389930 211366144 /nfs/dbraw/zinc/36/61/44/211366144.db2.gz SHSFQXUFRSYRLI-UHFFFAOYSA-N 0 0 330.290 2.759 50 0 EFAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000012386685 211365133 /nfs/dbraw/zinc/36/51/33/211365133.db2.gz DRXSAWGNELXMKH-QGZVFWFLSA-N 0 0 326.444 2.848 50 0 EFAARN CCCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012387467 211364949 /nfs/dbraw/zinc/36/49/49/211364949.db2.gz GFHLMVXIWNLNSI-GFCCVEGCSA-N 0 0 343.349 2.516 50 0 EFAARN CC(C)(C)CN1CCC[C@@]2(CCN(C(=O)c3cscn3)C2)C1=O ZINC000012386517 211364643 /nfs/dbraw/zinc/36/46/43/211364643.db2.gz KOMIQIACZKZVDF-KRWDZBQOSA-N 0 0 335.473 2.644 50 0 EFAARN CC(C)NC(=O)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000012382627 211363518 /nfs/dbraw/zinc/36/35/18/211363518.db2.gz ZQXLFXBUCXJGND-UHFFFAOYSA-N 0 0 335.314 2.543 50 0 EFAARN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012383566 211363220 /nfs/dbraw/zinc/36/32/20/211363220.db2.gz JGOIZQLYQSLLNS-LBPRGKRZSA-N 0 0 339.388 2.580 50 0 EFAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCCC1 ZINC000012380599 211361965 /nfs/dbraw/zinc/36/19/65/211361965.db2.gz WGSXNJUQGOIESF-AWEZNQCLSA-N 0 0 338.473 2.583 50 0 EFAARN CN1CCN(C(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000012381166 211361580 /nfs/dbraw/zinc/36/15/80/211361580.db2.gz MQPYEYIIKVWWLD-UHFFFAOYSA-N 0 0 331.243 2.925 50 0 EFAARN CCc1ccccc1NC(=O)COC(=O)Cc1cccc(OC)c1 ZINC000012355099 211353876 /nfs/dbraw/zinc/35/38/76/211353876.db2.gz FHQRSAHUKIGLGR-UHFFFAOYSA-N 0 0 327.380 2.982 50 0 EFAARN O=C(/C=C/c1cccc(Cl)c1)N1CCC(=O)N(CC2CC2)CC1 ZINC000012338130 211352765 /nfs/dbraw/zinc/35/27/65/211352765.db2.gz NBAQJRDFMIIRTF-VOTSOKGWSA-N 0 0 332.831 2.824 50 0 EFAARN CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000012336584 211351478 /nfs/dbraw/zinc/35/14/78/211351478.db2.gz KNTFERUGZAZTRW-UHFFFAOYSA-N 0 0 332.303 2.801 50 0 EFAARN CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1-n1cnnn1 ZINC000012323181 211347717 /nfs/dbraw/zinc/34/77/17/211347717.db2.gz FFRMCBLBFAVNFP-UHFFFAOYSA-N 0 0 327.775 2.588 50 0 EFAARN Cc1cc(-c2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)no1 ZINC000012323488 211347510 /nfs/dbraw/zinc/34/75/10/211347510.db2.gz RZTXYKQLCPNRFY-GFCCVEGCSA-N 0 0 341.352 2.662 50 0 EFAARN CC(=O)Nc1nc2ccc(C(=O)NCc3cccnc3)cc2s1 ZINC000012321519 211346566 /nfs/dbraw/zinc/34/65/66/211346566.db2.gz FJSJDROOAACTHN-UHFFFAOYSA-N 0 0 326.381 2.580 50 0 EFAARN COc1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1Cl ZINC000012321695 211346333 /nfs/dbraw/zinc/34/63/33/211346333.db2.gz MNKZBNZQOGYMAK-NSHDSACASA-N 0 0 345.786 2.735 50 0 EFAARN COc1cccc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)c1 ZINC000012321399 211346289 /nfs/dbraw/zinc/34/62/89/211346289.db2.gz DFMPAIHEAOSECC-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN Cc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)[nH]n1 ZINC000012317664 211344382 /nfs/dbraw/zinc/34/43/82/211344382.db2.gz HEEPNDMDBQMXBZ-OAHLLOKOSA-N 0 0 330.407 2.594 50 0 EFAARN C[C@@H](Cc1cccnc1)NC(=O)c1cn(C2CCCCCC2)nn1 ZINC000012318260 211344067 /nfs/dbraw/zinc/34/40/67/211344067.db2.gz JYOLTIQCAHSZHZ-AWEZNQCLSA-N 0 0 327.432 2.929 50 0 EFAARN CCc1ocnc1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012315650 211343400 /nfs/dbraw/zinc/34/34/00/211343400.db2.gz YMSNUZGFMCLUIS-AWEZNQCLSA-N 0 0 331.391 2.771 50 0 EFAARN O=C(C1=CCCC1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012307980 211342612 /nfs/dbraw/zinc/34/26/12/211342612.db2.gz UQRBFYZQQZUHGH-INIZCTEOSA-N 0 0 328.412 2.971 50 0 EFAARN O=C(Cc1cccnc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000012300329 211336224 /nfs/dbraw/zinc/33/62/24/211336224.db2.gz OLUKQWXZBRPMMQ-UHFFFAOYSA-N 0 0 336.370 2.738 50 0 EFAARN COc1cccc(-n2c(C)nc3ccc(OCC(C)=O)cc3c2=O)c1 ZINC000012296757 211335569 /nfs/dbraw/zinc/33/55/69/211335569.db2.gz ATXVAXQVWLEICB-UHFFFAOYSA-N 0 0 338.363 2.671 50 0 biogenic EFAARN CC(C)C(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000012297066 211335691 /nfs/dbraw/zinc/33/56/91/211335691.db2.gz JMMSFGIEPDFXJW-UHFFFAOYSA-N 0 0 341.455 2.817 50 0 biogenic EFAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000012296790 211335544 /nfs/dbraw/zinc/33/55/44/211335544.db2.gz WQNANAUXKNMEOT-MRXNPFEDSA-N 0 0 347.418 2.880 50 0 biogenic EFAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CO3)c1C ZINC000012294885 211335114 /nfs/dbraw/zinc/33/51/14/211335114.db2.gz DUMRXYUHHCCOMZ-UHFFFAOYSA-N 0 0 326.352 2.652 50 0 EFAARN COc1ccc(C(=O)NCc2nnc(SCC(C)C)n2C)cc1 ZINC000012279074 211333307 /nfs/dbraw/zinc/33/33/07/211333307.db2.gz 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/nfs/dbraw/zinc/30/32/39/210303239.db2.gz PSOXAFALIFRXSP-GFCCVEGCSA-N 0 0 328.343 2.826 50 0 EFAARN Cc1ccc(CN(C(=O)c2ccccc2C)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000004858343 210303309 /nfs/dbraw/zinc/30/33/09/210303309.db2.gz WDFHVVVIGRWEFK-OAHLLOKOSA-N 0 0 347.436 2.726 50 0 EFAARN CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000004856275 210302399 /nfs/dbraw/zinc/30/23/99/210302399.db2.gz QBWDILFAORIDPG-UHFFFAOYSA-N 0 0 330.771 2.798 50 0 EFAARN Cc1cccc(NC(=O)c2nnn(Cc3cccc(F)c3)c2N)c1 ZINC000004852522 210300997 /nfs/dbraw/zinc/30/09/97/210300997.db2.gz CAWDRTMAOARWOA-UHFFFAOYSA-N 0 0 325.347 2.608 50 0 EFAARN Cc1ccccc1Cn1nnc(C(=O)Nc2cccc(F)c2)c1N ZINC000004852636 210301013 /nfs/dbraw/zinc/30/10/13/210301013.db2.gz JYJFVRBJEXQYBR-UHFFFAOYSA-N 0 0 325.347 2.608 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1OC ZINC000004853999 210300857 /nfs/dbraw/zinc/30/08/57/210300857.db2.gz AYXLLHPZGRJLRG-UHFFFAOYSA-N 0 0 345.351 2.751 50 0 EFAARN Cn1nnnc1SCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000004851979 210300374 /nfs/dbraw/zinc/30/03/74/210300374.db2.gz WMTSEHCMHJSURK-UHFFFAOYSA-N 0 0 339.380 2.840 50 0 EFAARN COc1ccc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1OC ZINC000004873185 210309840 /nfs/dbraw/zinc/30/98/40/210309840.db2.gz ITMOHMQHLVWEJK-MRXNPFEDSA-N 0 0 339.391 2.822 50 0 EFAARN CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004870147 210308942 /nfs/dbraw/zinc/30/89/42/210308942.db2.gz NWCSJSCQVUXHSL-OAHLLOKOSA-N 0 0 341.415 2.823 50 0 EFAARN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1O ZINC000004869817 210308780 /nfs/dbraw/zinc/30/87/80/210308780.db2.gz AKJKANMMXVAJRF-UHFFFAOYSA-N 0 0 326.381 2.704 50 0 EFAARN COc1ccccc1NC(=O)c1cc(OC(C)=O)cc(OC(C)=O)c1 ZINC000004868455 210308562 /nfs/dbraw/zinc/30/85/62/210308562.db2.gz WXDMARPPKOOVIZ-UHFFFAOYSA-N 0 0 343.335 2.798 50 0 EFAARN O=C(NCCNC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000004867818 210307178 /nfs/dbraw/zinc/30/71/78/210307178.db2.gz PQJJEPGXLNTIEE-UHFFFAOYSA-N 0 0 345.402 2.908 50 0 EFAARN Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc(F)cc3)n2)c1 ZINC000004866149 210306954 /nfs/dbraw/zinc/30/69/54/210306954.db2.gz KTIDJKGADDTETI-UHFFFAOYSA-N 0 0 347.371 2.663 50 0 EFAARN COCc1cc(CN(C)C(=O)c2[nH]c3ccc(OC)cc3c2C)[nH]n1 ZINC000097425224 219024086 /nfs/dbraw/zinc/02/40/86/219024086.db2.gz JITNBBIZNQSPEN-UHFFFAOYSA-N 0 0 342.399 2.627 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1NC(C)=O ZINC000004815403 210285069 /nfs/dbraw/zinc/28/50/69/210285069.db2.gz YJHYOXZPMUAROQ-UHFFFAOYSA-N 0 0 338.360 2.594 50 0 EFAARN CCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 ZINC000004815913 210286393 /nfs/dbraw/zinc/28/63/93/210286393.db2.gz XUACQVYUUDJLOX-JTQLQIEISA-N 0 0 348.403 2.621 50 0 EFAARN CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000004816403 210285899 /nfs/dbraw/zinc/28/58/99/210285899.db2.gz AVYIQOQMAIKONC-GJZGRUSLSA-N 0 0 340.489 2.763 50 0 EFAARN Cc1cc(C)nc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2)c1 ZINC000097436880 219024881 /nfs/dbraw/zinc/02/48/81/219024881.db2.gz ROMAZZSBFFRYLD-UHFFFAOYSA-N 0 0 333.395 2.823 50 0 EFAARN O=C(NCCCSC1CCCCC1)c1cccc(-n2cnnc2)n1 ZINC000097370246 219015551 /nfs/dbraw/zinc/01/55/51/219015551.db2.gz ODUYNOQEUBEHFE-UHFFFAOYSA-N 0 0 345.472 2.848 50 0 EFAARN O=C1N[C@@](c2ccc(F)cc2)(C(F)(F)F)C(=O)N1Cc1ccco1 ZINC000004840021 210295255 /nfs/dbraw/zinc/29/52/55/210295255.db2.gz BJTUUIRWUFXXPY-CQSZACIVSA-N 0 0 342.248 2.928 50 0 EFAARN Cc1nc2sccn2c1C(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000097370480 219015852 /nfs/dbraw/zinc/01/58/52/219015852.db2.gz VXIRAXUOLRGVIE-GFCCVEGCSA-N 0 0 331.445 2.745 50 0 EFAARN CCCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C ZINC000004839480 210294698 /nfs/dbraw/zinc/29/46/98/210294698.db2.gz SQAPIESIBGZISN-UHFFFAOYSA-N 0 0 334.445 2.897 50 0 EFAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000004839630 210294775 /nfs/dbraw/zinc/29/47/75/210294775.db2.gz TZKASSZWEWQRHP-HNNXBMFYSA-N 0 0 342.370 2.987 50 0 EFAARN CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000004839981 210294831 /nfs/dbraw/zinc/29/48/31/210294831.db2.gz ACNIZFQBQAGCOK-UHFFFAOYSA-N 0 0 344.521 2.810 50 0 EFAARN O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(F)cc1 ZINC000004834487 210292340 /nfs/dbraw/zinc/29/23/40/210292340.db2.gz HEJLELRFILNMEI-UHFFFAOYSA-N 0 0 341.136 2.550 50 0 EFAARN Cc1ccc(OCCNC(=O)C(=O)Nc2ccccc2F)cc1C ZINC000004833586 210292433 /nfs/dbraw/zinc/29/24/33/210292433.db2.gz DCIOHKYEAULCDJ-UHFFFAOYSA-N 0 0 330.359 2.576 50 0 EFAARN CCCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2C1=O ZINC000004825546 210289167 /nfs/dbraw/zinc/28/91/67/210289167.db2.gz JTQYHFYXPQYCGQ-UHFFFAOYSA-N 0 0 343.770 2.993 50 0 EFAARN CCn1c(C)cc(C)c(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1=O ZINC000097413364 219022476 /nfs/dbraw/zinc/02/24/76/219022476.db2.gz XKIWEDPBWNETRU-HNNXBMFYSA-N 0 0 344.459 2.526 50 0 EFAARN COCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004814998 210284753 /nfs/dbraw/zinc/28/47/53/210284753.db2.gz AZTUAQHCSKSSLY-QZTJIDSGSA-N 0 0 348.406 2.992 50 0 EFAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)NC=O ZINC000004810225 210283870 /nfs/dbraw/zinc/28/38/70/210283870.db2.gz DOHJFTDVZODKNB-CQSZACIVSA-N 0 0 339.395 2.931 50 0 EFAARN NC(=O)COc1ccc2c(c1)occ(Oc1ccccc1F)c2=O ZINC000004810993 210283989 /nfs/dbraw/zinc/28/39/89/210283989.db2.gz OVCZQRPVYYPLFC-UHFFFAOYSA-N 0 0 329.283 2.589 50 0 EFAARN COc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1C ZINC000004810837 210283855 /nfs/dbraw/zinc/28/38/55/210283855.db2.gz IOVOZQLTLHSRJU-UHFFFAOYSA-N 0 0 328.437 2.851 50 0 EFAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H](C)NC=O ZINC000004810224 210282888 /nfs/dbraw/zinc/28/28/88/210282888.db2.gz DOHJFTDVZODKNB-AWEZNQCLSA-N 0 0 339.395 2.931 50 0 EFAARN CC(C)C[C@H](O)C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 ZINC000097468335 219027633 /nfs/dbraw/zinc/02/76/33/219027633.db2.gz LWXQPXRGAABJLB-INIZCTEOSA-N 0 0 331.391 2.508 50 0 EFAARN CCn1ccnc1C1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000097505681 219031865 /nfs/dbraw/zinc/03/18/65/219031865.db2.gz VLKNXPPAPYCOEM-QGZVFWFLSA-N 0 0 339.439 2.860 50 0 EFAARN Cn1cc(C(=O)NC[C@@H]2COc3ccccc3C2)c(=O)c2ccccc21 ZINC000097547830 219034765 /nfs/dbraw/zinc/03/47/65/219034765.db2.gz VJSGMZGUGBODBI-CQSZACIVSA-N 0 0 348.402 2.520 50 0 EFAARN COc1ccc2c(c1)[C@@H](C(=O)NCCCOC1CCCC1)CC(=O)N2 ZINC000097522177 219032222 /nfs/dbraw/zinc/03/22/22/219032222.db2.gz NQQLQKRLFSEOAY-INIZCTEOSA-N 0 0 346.427 2.587 50 0 EFAARN CNC(=O)C1(NC(=O)Nc2cc(F)cc(F)c2F)CCCCC1 ZINC000097522471 219032880 /nfs/dbraw/zinc/03/28/80/219032880.db2.gz IJQNCZSXPMNXOU-UHFFFAOYSA-N 0 0 329.322 2.674 50 0 EFAARN Cc1cccc(CC2(NC(=O)[C@H]3Cc4ccccc4C(=O)N3)CC2)c1 ZINC000097527396 219033367 /nfs/dbraw/zinc/03/33/67/219033367.db2.gz DWAGLGBCNLYPLR-GOSISDBHSA-N 0 0 334.419 2.541 50 0 EFAARN Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000097527204 219033454 /nfs/dbraw/zinc/03/34/54/219033454.db2.gz HJLJXRSDGHPSSQ-LBPRGKRZSA-N 0 0 338.415 2.655 50 0 EFAARN Clc1ccc(C2=Nn3c(nnc3-c3cnccn3)SC2)cc1 ZINC000004776628 210275661 /nfs/dbraw/zinc/27/56/61/210275661.db2.gz JYTVNZZMVGYHCN-UHFFFAOYSA-N 0 0 328.788 2.747 50 0 EFAARN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 ZINC000004749885 210270180 /nfs/dbraw/zinc/27/01/80/210270180.db2.gz IXDMNTOZRYSPQU-NSHDSACASA-N 0 0 327.336 2.678 50 0 EFAARN Nc1c(C(=O)Nc2ccc(F)cc2)noc1C(=O)c1ccccc1 ZINC000004751569 210269981 /nfs/dbraw/zinc/26/99/81/210269981.db2.gz WBOROSDODDRKSV-UHFFFAOYSA-N 0 0 325.299 2.879 50 0 EFAARN CC1(C)SC[C@@H](C(=O)N(Cc2ccccc2)CC2CCC2)NC1=O ZINC000097600895 219039278 /nfs/dbraw/zinc/03/92/78/219039278.db2.gz YQXSJYNVMAPEIR-INIZCTEOSA-N 0 0 346.496 2.826 50 0 EFAARN Cc1nc2sccn2c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000097568954 219035447 /nfs/dbraw/zinc/03/54/47/219035447.db2.gz CVIIGHXSEVSRCU-ZDUSSCGKSA-N 0 0 344.440 2.864 50 0 EFAARN CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 ZINC000004755937 210272680 /nfs/dbraw/zinc/27/26/80/210272680.db2.gz XOFUSAHRVWWUII-UKTHLTGXSA-N 0 0 349.184 2.559 50 0 EFAARN Cn1nccc1-c1cccc(-c2nccc(N3CCC[C@H](O)C3)n2)c1 ZINC000097578377 219036519 /nfs/dbraw/zinc/03/65/19/219036519.db2.gz GIDJGWAYLCHIMN-INIZCTEOSA-N 0 0 335.411 2.505 50 0 EFAARN CCCN(C(=O)c1ccnc(-n2cnnc2)c1)C1Cc2ccccc2C1 ZINC000097574935 219036610 /nfs/dbraw/zinc/03/66/10/219036610.db2.gz AZQJOOYVNPQRGD-UHFFFAOYSA-N 0 0 347.422 2.682 50 0 EFAARN O=c1[nH]c(=O)n(CCc2ccccc2)c2nccc(-c3ccccc3)c12 ZINC000009530430 285195346 /nfs/dbraw/zinc/19/53/46/285195346.db2.gz MUZQFWVTSYPOQI-UHFFFAOYSA-N 0 0 343.386 2.995 50 0 EFAARN O=c1c2cnc3ncnn3c2ccn1-c1cccc(Cl)c1Cl ZINC000019960553 285214191 /nfs/dbraw/zinc/21/41/91/285214191.db2.gz GGOYPFQSINJDPA-UHFFFAOYSA-N 0 0 332.150 2.735 50 0 EFAARN O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccc(Cl)cc1 ZINC000000252504 285219400 /nfs/dbraw/zinc/21/94/00/285219400.db2.gz ZFDPXSLMXYKXDQ-UHFFFAOYSA-N 0 0 339.782 2.873 50 0 EFAARN CC(C)C[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)n1cccc1 ZINC000263587587 257842029 /nfs/dbraw/zinc/84/20/29/257842029.db2.gz ISUPCLSSDJCVCP-LJQANCHMSA-N 0 0 340.471 2.815 50 0 EFAARN COc1coc(C(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)cc1=O ZINC000524733698 257842847 /nfs/dbraw/zinc/84/28/47/257842847.db2.gz GXFASWGQOROYHG-CQSZACIVSA-N 0 0 338.363 2.937 50 0 EFAARN CSCC[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1cccc1 ZINC000524729008 257843161 /nfs/dbraw/zinc/84/31/61/257843161.db2.gz PABDGGHZVVETBN-JFIYKMOQSA-N 0 0 336.501 2.936 50 0 biogenic EFAARN Cc1nc([C@H](C)NC(=O)N(CCCO)Cc2cccnc2)c(C)s1 ZINC000426738971 257956619 /nfs/dbraw/zinc/95/66/19/257956619.db2.gz CIRAZYMKTBNPQI-LBPRGKRZSA-N 0 0 348.472 2.810 50 0 EFAARN Cc1ccn2c(c1)nc(C(=O)N(C)Cc1noc3c1CCCC3)c2F ZINC000426699885 257958328 /nfs/dbraw/zinc/95/83/28/257958328.db2.gz HISSZYLIKHUZSH-UHFFFAOYSA-N 0 0 342.374 2.921 50 0 EFAARN O=C(CNC(=O)[C@@]1(c2ccccc2)CC12CCCC2)N1CCCC1 ZINC000426634083 257960502 /nfs/dbraw/zinc/96/05/02/257960502.db2.gz CGUJKDHFHNJQJH-FQEVSTJZSA-N 0 0 326.440 2.627 50 0 EFAARN Cc1cc(C)n(C2CN(C(=O)c3cccc(-c4nccn4C)c3)C2)n1 ZINC000426633883 257961104 /nfs/dbraw/zinc/96/11/04/257961104.db2.gz LDUCPTXTIUVHLB-UHFFFAOYSA-N 0 0 335.411 2.598 50 0 EFAARN CCOc1ccc(OCCN(C)c2cc([C@@H]3CCOC3)ncn2)cc1 ZINC000426578899 257962366 /nfs/dbraw/zinc/96/23/66/257962366.db2.gz ZHRBACNAMSWHFG-OAHLLOKOSA-N 0 0 343.427 2.894 50 0 EFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(-c2cncnc2)cc1 ZINC000426436567 257968051 /nfs/dbraw/zinc/96/80/51/257968051.db2.gz OHGILXMWVMZQGC-UHFFFAOYSA-N 0 0 335.411 2.798 50 0 EFAARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1ccccc1NC2=O ZINC000004090772 258003024 /nfs/dbraw/zinc/00/30/24/258003024.db2.gz JBFYBXHWCGNNGC-FQEVSTJZSA-N 0 0 331.375 2.768 50 0 biogenic EFAARN COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3[n-]c(C)cc3n2)c1 ZINC000334159706 258004963 /nfs/dbraw/zinc/00/49/63/258004963.db2.gz SOKSRZAVJIJFQO-KRWDZBQOSA-N 0 0 338.411 2.677 50 0 EFAARN O=C([C@H]1CCCCC12OCCO2)N1CCO[C@H](c2ccccc2)C1 ZINC000334160463 258016678 /nfs/dbraw/zinc/01/66/78/258016678.db2.gz FDNIQBQHPFKADZ-SJORKVTESA-N 0 0 331.412 2.520 50 0 EFAARN Cc1csc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 ZINC000299769317 258083195 /nfs/dbraw/zinc/08/31/95/258083195.db2.gz WOAPCKOTXWPEKX-GFCCVEGCSA-N 0 0 348.424 2.697 50 0 EFAARN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nncn1C1CCCC1 ZINC000299770975 258083682 /nfs/dbraw/zinc/08/36/82/258083682.db2.gz SUQPXJZWRUJHNY-LLVKDONJSA-N 0 0 328.372 2.613 50 0 EFAARN Cc1nn(CCCNC(=O)Cc2n[nH]c3ccccc32)c(C)c1Cl ZINC000299772393 258084552 /nfs/dbraw/zinc/08/45/52/258084552.db2.gz VSRFMDNTFCHEPP-UHFFFAOYSA-N 0 0 345.834 2.779 50 0 EFAARN Cc1ccc2nsnc2c1NC(=O)NC[C@H](CO)Cc1ccco1 ZINC000299772789 258084588 /nfs/dbraw/zinc/08/45/88/258084588.db2.gz AQUWBAGKMUBFKX-LLVKDONJSA-N 0 0 346.412 2.565 50 0 EFAARN CCc1nnc(CNC(=O)Nc2ccc3nc(C)c(C)nc3c2)s1 ZINC000299773107 258084790 /nfs/dbraw/zinc/08/47/90/258084790.db2.gz CUBQUNVXORKOMB-UHFFFAOYSA-N 0 0 342.428 2.982 50 0 EFAARN COc1cc(NC(=O)N2CCCN(c3ncccn3)CC2)ccc1C ZINC000299772741 258084840 /nfs/dbraw/zinc/08/48/40/258084840.db2.gz BUKOEBPOLRMOOM-UHFFFAOYSA-N 0 0 341.415 2.538 50 0 EFAARN OCc1ccc2c(c1)CN(C[C@H]1CC(c3ccccc3)=NO1)CCO2 ZINC000299773535 258085653 /nfs/dbraw/zinc/08/56/53/258085653.db2.gz FFXYWOUZAKWRCZ-GOSISDBHSA-N 0 0 338.407 2.567 50 0 EFAARN Cc1nnc(C2CCN(C(=O)Nc3ccc4c(c3)C[C@H](C)O4)CC2)[nH]1 ZINC000299775694 258085795 /nfs/dbraw/zinc/08/57/95/258085795.db2.gz MSYSIXGSCDFFBG-NSHDSACASA-N 0 0 341.415 2.848 50 0 EFAARN COC1CCN(C(=O)Nc2ccnn2Cc2cccc(F)c2)CC1 ZINC000299775573 258085799 /nfs/dbraw/zinc/08/57/99/258085799.db2.gz KOJXZLNWXASDTE-UHFFFAOYSA-N 0 0 332.379 2.713 50 0 EFAARN Cc1cnn(C2CCCC2)c1NC(=O)NC[C@H](CO)Cc1ccco1 ZINC000299775076 258085843 /nfs/dbraw/zinc/08/58/43/258085843.db2.gz JMZGAWRYLNVOBU-CQSZACIVSA-N 0 0 346.431 2.872 50 0 EFAARN CN(CCO)c1ccc(C(=O)N2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1 ZINC000299775588 258086216 /nfs/dbraw/zinc/08/62/16/258086216.db2.gz KQVJUKHFTPTDKT-GNSZPUGASA-N 0 0 328.456 2.623 50 0 EFAARN CCNC(=O)c1ccc(NC(=O)N2CCC3(CCO3)CC2)c(C)c1 ZINC000299776426 258086650 /nfs/dbraw/zinc/08/66/50/258086650.db2.gz KQIJBCZSLHWMQV-UHFFFAOYSA-N 0 0 331.416 2.532 50 0 EFAARN CCCn1nccc1C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000299777276 258087143 /nfs/dbraw/zinc/08/71/43/258087143.db2.gz DJVOQIODXCLKDP-AWEZNQCLSA-N 0 0 330.407 2.689 50 0 EFAARN COCCOc1ccccc1NC(=O)NCCc1scnc1C ZINC000299776834 258087296 /nfs/dbraw/zinc/08/72/96/258087296.db2.gz MITAGFVKUOIPQR-UHFFFAOYSA-N 0 0 335.429 2.841 50 0 EFAARN CNc1ncc(CN(C)C(=O)Nc2c(C)cnn2[C@H](C)C2CC2)cn1 ZINC000299778544 258088305 /nfs/dbraw/zinc/08/83/05/258088305.db2.gz PSPXWXLGGATINS-GFCCVEGCSA-N 0 0 343.435 2.658 50 0 EFAARN CNc1ncc(CN(C)C(=O)Nc2c(C)cnn2[C@@H](C)C2CC2)cn1 ZINC000299778557 258088406 /nfs/dbraw/zinc/08/84/06/258088406.db2.gz PSPXWXLGGATINS-LBPRGKRZSA-N 0 0 343.435 2.658 50 0 EFAARN Cc1cc(C[C@H](C)NC(=O)Nc2ccnn2Cc2cccs2)[nH]n1 ZINC000299778857 258088434 /nfs/dbraw/zinc/08/84/34/258088434.db2.gz QWQQLFWPBYMFLN-NSHDSACASA-N 0 0 344.444 2.777 50 0 EFAARN COc1cccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000299778932 258088525 /nfs/dbraw/zinc/08/85/25/258088525.db2.gz PENMQUMLBNMMDA-CQSZACIVSA-N 0 0 330.428 2.525 50 0 EFAARN CCn1cncc1CNC(=O)c1cccc(-c2nc(C)cnc2C)c1 ZINC000299779985 258088701 /nfs/dbraw/zinc/08/87/01/258088701.db2.gz QVRWCNQZEHKYNP-UHFFFAOYSA-N 0 0 335.411 2.907 50 0 EFAARN CC1(C)SC[C@H](C(=O)NCC2(c3ccccc3)CCCC2)NC1=O ZINC000299779625 258088762 /nfs/dbraw/zinc/08/87/62/258088762.db2.gz UVOJFXBQUDLRKI-OAHLLOKOSA-N 0 0 346.496 2.625 50 0 EFAARN CCOc1ccc(C(C)=O)cc1NC(=O)N(C)Cc1nc(C)c[nH]1 ZINC000299779236 258088957 /nfs/dbraw/zinc/08/89/57/258088957.db2.gz RDVIGNDHGUHHDH-UHFFFAOYSA-N 0 0 330.388 2.983 50 0 EFAARN Cc1ccc([C@@]2(C(=O)NCC3CCS(=O)(=O)CC3)CC2(C)C)cc1 ZINC000299779576 258089026 /nfs/dbraw/zinc/08/90/26/258089026.db2.gz WDFCJGKSNSVZOO-LJQANCHMSA-N 0 0 349.496 2.604 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)[C@H]2C1 ZINC000299780255 258089742 /nfs/dbraw/zinc/08/97/42/258089742.db2.gz MTKIZMDLMKDIDX-IYJAJMOOSA-N 0 0 348.443 2.709 50 0 EFAARN CCCc1ncncc1C(=O)NC[C@H]1CCN(c2ccccc2C)C1 ZINC000299781028 258090061 /nfs/dbraw/zinc/09/00/61/258090061.db2.gz VFMHDWOQCJBFLJ-MRXNPFEDSA-N 0 0 338.455 2.994 50 0 EFAARN COc1ccc(CCNc2cc([C@@H]3CCOC3)ncn2)c(OC)c1 ZINC000299781354 258090085 /nfs/dbraw/zinc/09/00/85/258090085.db2.gz LGEPOBLVFHVZJU-CQSZACIVSA-N 0 0 329.400 2.652 50 0 EFAARN CSc1ccc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000299783185 258090977 /nfs/dbraw/zinc/09/09/77/258090977.db2.gz FKBKTHIBUCLOIM-UHFFFAOYSA-N 0 0 347.484 2.819 50 0 EFAARN O=C(NCc1nc(C2CCCCC2)no1)c1scc2c1OCCO2 ZINC000299783275 258091003 /nfs/dbraw/zinc/09/10/03/258091003.db2.gz ZVIMZPWJLITYOW-UHFFFAOYSA-N 0 0 349.412 2.880 50 0 EFAARN CCn1cnnc1CCNC(=O)Nc1ccc2nc(C)sc2c1 ZINC000299782788 258091012 /nfs/dbraw/zinc/09/10/12/258091012.db2.gz GIOMXEIPODVKDM-UHFFFAOYSA-N 0 0 330.417 2.580 50 0 EFAARN CNc1nc(NCc2c(C)cc(C)nc2OC)cc([C@H]2CCOC2)n1 ZINC000299783221 258091202 /nfs/dbraw/zinc/09/12/02/258091202.db2.gz ZXCXIORZSKOTOW-ZDUSSCGKSA-N 0 0 343.431 2.655 50 0 EFAARN CNc1nc(NCCCn2nccc2C2CC2)cc([C@@H]2CCOC2)n1 ZINC000299784272 258091873 /nfs/dbraw/zinc/09/18/73/258091873.db2.gz LOGXWKFDYIZZAG-CQSZACIVSA-N 0 0 342.447 2.598 50 0 EFAARN Cc1ccn2cc(CNC(=O)c3ccc(C[NH+]4CCCC4)o3)nc2c1 ZINC000299785995 258092907 /nfs/dbraw/zinc/09/29/07/258092907.db2.gz QSFLTZKYHSUVQQ-UHFFFAOYSA-N 0 0 338.411 2.762 50 0 EFAARN CC(C)c1nc2cc(NC(=O)NCCCN3CCCC3=O)ccc2[nH]1 ZINC000299787308 258093926 /nfs/dbraw/zinc/09/39/26/258093926.db2.gz WCDFYEQGQZWWJS-UHFFFAOYSA-N 0 0 343.431 2.820 50 0 EFAARN Cc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1C ZINC000299787276 258093992 /nfs/dbraw/zinc/09/39/92/258093992.db2.gz UHEZRSFVGXMNJZ-UHFFFAOYSA-N 0 0 348.454 2.918 50 0 EFAARN Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)o1 ZINC000299787392 258094254 /nfs/dbraw/zinc/09/42/54/258094254.db2.gz WIJPYSCACRSMSX-ZDUSSCGKSA-N 0 0 343.412 2.710 50 0 EFAARN Cc1nc([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)no1 ZINC000299788425 258094952 /nfs/dbraw/zinc/09/49/52/258094952.db2.gz PEOLYJRTZUDYEY-INIZCTEOSA-N 0 0 340.427 2.998 50 0 EFAARN Cc1nccn1[C@@H](C)CC(=O)NCCc1nc2c(s1)CCCC2 ZINC000299789894 258095476 /nfs/dbraw/zinc/09/54/76/258095476.db2.gz AFSKHLIRMNEKPL-LBPRGKRZSA-N 0 0 332.473 2.837 50 0 EFAARN CSCC[C@H](NC(=O)c1c(C)ncn1C)c1nc2ccccc2[nH]1 ZINC000299790575 258096204 /nfs/dbraw/zinc/09/62/04/258096204.db2.gz BWFBGCVOSSNFHU-AWEZNQCLSA-N 0 0 343.456 2.829 50 0 EFAARN O=C(Nc1cccnc1Cl)N1CCCN(C(=O)C2CCC2)CC1 ZINC000299789957 258096442 /nfs/dbraw/zinc/09/64/42/258096442.db2.gz ASWNZVJZUFWENT-UHFFFAOYSA-N 0 0 336.823 2.601 50 0 EFAARN CCn1c(C)cc2cc(NC(=O)N[C@H](C)Cn3cncn3)ccc21 ZINC000299791459 258096993 /nfs/dbraw/zinc/09/69/93/258096993.db2.gz CWMWLYKKPJRBKV-GFCCVEGCSA-N 0 0 326.404 2.771 50 0 EFAARN NC(=O)c1ccc(NC(=O)NCCCC[C@H]2CCCO2)cc1Cl ZINC000299792988 258098271 /nfs/dbraw/zinc/09/82/71/258098271.db2.gz IFHBOBCZFWFSTQ-LBPRGKRZSA-N 0 0 339.823 2.910 50 0 EFAARN Cc1noc([C@H]2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)n1 ZINC000299793687 258098504 /nfs/dbraw/zinc/09/85/04/258098504.db2.gz HHJGQDSOASEIAK-AWEZNQCLSA-N 0 0 337.383 2.568 50 0 EFAARN COc1ccccc1CN(c1cc([C@@H]2CCOC2)nc(N)n1)C1CC1 ZINC000299793724 258098519 /nfs/dbraw/zinc/09/85/19/258098519.db2.gz JKCDLFBFTCZWHH-CQSZACIVSA-N 0 0 340.427 2.740 50 0 EFAARN CC(=O)N(C)c1ccc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cc1 ZINC000299794507 258099141 /nfs/dbraw/zinc/09/91/41/258099141.db2.gz KZEIBHKWVSIKPN-GOSISDBHSA-N 0 0 338.407 2.855 50 0 EFAARN CCCSCCNC(=O)Nc1cccc(N2CCN(C)C2=O)c1 ZINC000299794205 258099372 /nfs/dbraw/zinc/09/93/72/258099372.db2.gz JGQLCOAITQDJJB-UHFFFAOYSA-N 0 0 336.461 2.823 50 0 EFAARN CC(=O)c1c(C)nn(CC(=O)N[C@@H](c2cccnc2)C(C)C)c1C ZINC000299794910 258099754 /nfs/dbraw/zinc/09/97/54/258099754.db2.gz KZHZNNNNGYAPKN-GOSISDBHSA-N 0 0 328.416 2.611 50 0 EFAARN CCC1=NO[C@H](C(=O)NCc2csc(Cc3ccccc3)n2)C1 ZINC000299795859 258100427 /nfs/dbraw/zinc/10/04/27/258100427.db2.gz LZNAOYSCSINZAM-HNNXBMFYSA-N 0 0 329.425 2.905 50 0 EFAARN CCn1c(=O)oc2cc(NC(=O)NCCc3scnc3C)ccc21 ZINC000299796894 258100920 /nfs/dbraw/zinc/10/09/20/258100920.db2.gz OWTKVIQJEDTGII-UHFFFAOYSA-N 0 0 346.412 2.744 50 0 EFAARN COc1ccccc1-n1cc([C@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)cn1 ZINC000299797509 258101925 /nfs/dbraw/zinc/10/19/25/258101925.db2.gz OCAPJEXUWLKEDG-DZKIICNBSA-N 0 0 343.427 2.609 50 0 EFAARN Cn1nc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c2c1CCCC2 ZINC000299797349 258102044 /nfs/dbraw/zinc/10/20/44/258102044.db2.gz NMSYBKWRZXPWLP-KRWDZBQOSA-N 0 0 343.402 2.652 50 0 EFAARN CC(C)Cn1cncc1CNC(=O)Nc1ccc2c(cnn2C)c1 ZINC000299799676 258102965 /nfs/dbraw/zinc/10/29/65/258102965.db2.gz UWHCETWFJDFIBW-UHFFFAOYSA-N 0 0 326.404 2.748 50 0 EFAARN Cc1ccc(C)c([C@@H](NC(=O)CN2CCCC2=O)c2cccnc2)c1 ZINC000299799471 258103063 /nfs/dbraw/zinc/10/30/63/258103063.db2.gz RLFGDRRJBHTYMW-FQEVSTJZSA-N 0 0 337.423 2.526 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3c[nH]c4ccccc34)[C@H]2C1 ZINC000299799780 258103078 /nfs/dbraw/zinc/10/30/78/258103078.db2.gz SHJSSRZRLOJGPH-ZAAXVRCTSA-N 0 0 342.439 2.895 50 0 EFAARN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000299800948 258103947 /nfs/dbraw/zinc/10/39/47/258103947.db2.gz JSKLQAXKVPPSKF-CQSZACIVSA-N 0 0 347.459 2.714 50 0 EFAARN CC(=O)c1ccc(N2CCN(CCc3c(C)n[nH]c3C)CC2)cc1 ZINC000299800696 258103952 /nfs/dbraw/zinc/10/39/52/258103952.db2.gz VFYWAYXLYLNODT-UHFFFAOYSA-N 0 0 326.444 2.594 50 0 EFAARN Cc1cnc(CNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)cn1 ZINC000299803181 258105847 /nfs/dbraw/zinc/10/58/47/258105847.db2.gz ZJACORMHKNMIPM-CQSZACIVSA-N 0 0 326.404 2.660 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1 ZINC000000465148 258048536 /nfs/dbraw/zinc/04/85/36/258048536.db2.gz VMOUYSGHIVAMIW-UHFFFAOYSA-N 0 0 327.336 2.693 50 0 EFAARN Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000569266 258048694 /nfs/dbraw/zinc/04/86/94/258048694.db2.gz FIEQJQXXKVFPNJ-UHFFFAOYSA-N 0 0 328.393 2.893 50 0 EFAARN COc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000002995685 258050279 /nfs/dbraw/zinc/05/02/79/258050279.db2.gz LVVCKBGPEMLANM-UHFFFAOYSA-N 0 0 332.787 2.646 50 0 EFAARN COc1ccc(C(=O)N2CCCCC2)cc1I ZINC000004091328 258050829 /nfs/dbraw/zinc/05/08/29/258050829.db2.gz GGSMVMSUOOXMIO-UHFFFAOYSA-N 0 0 345.180 2.926 50 0 EFAARN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccon3)C2)c(OC)c1 ZINC000013593244 258056070 /nfs/dbraw/zinc/05/60/70/258056070.db2.gz WUQCBHDARGBBSK-ZDUSSCGKSA-N 0 0 330.384 2.787 50 0 EFAARN COc1ccc(F)cc1[C@H]1CC(=O)NCc2nc3cc(C)ccn3c21 ZINC000065531383 258063007 /nfs/dbraw/zinc/06/30/07/258063007.db2.gz VKPVNJXJLHIZAR-CQSZACIVSA-N 0 0 339.370 2.942 50 0 EFAARN CC[C@@H](C)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 ZINC000071774956 258063989 /nfs/dbraw/zinc/06/39/89/258063989.db2.gz FKOZLDVJTJCBGT-GFCCVEGCSA-N 0 0 325.416 2.654 50 0 EFAARN O=C(CCc1nc2ccccc2s1)NCc1cn2c(n1)SCC2 ZINC000096142020 258067670 /nfs/dbraw/zinc/06/76/70/258067670.db2.gz TYAKZDKABSYXHS-UHFFFAOYSA-N 0 0 344.465 2.848 50 0 EFAARN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2cc(C)on2)C3)c1 ZINC000096165104 258067771 /nfs/dbraw/zinc/06/77/71/258067771.db2.gz LKXOIKFOFATMTC-UHFFFAOYSA-N 0 0 338.367 2.580 50 0 EFAARN CC(=O)N1CCCN(C(=O)c2cc(C)oc2-c2ccccc2)CC1 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/nfs/dbraw/zinc/88/65/85/275886585.db2.gz JUBGWUQZSLGHRK-OAHLLOKOSA-N 0 0 340.383 2.762 50 0 EFAARN CC1(C)C(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)C1(C)C ZINC000072133954 276098943 /nfs/dbraw/zinc/09/89/43/276098943.db2.gz FQKRIZPKKDHYOY-AWEZNQCLSA-N 0 0 332.419 2.725 50 0 EFAARN CCOC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1cccs1 ZINC000032594555 276289321 /nfs/dbraw/zinc/28/93/21/276289321.db2.gz FYSMDTUPQISGEP-APPZFPTMSA-N 0 0 327.452 2.915 50 0 EFAARN CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)Oc1ccccc1)CC2 ZINC000091518895 276358254 /nfs/dbraw/zinc/35/82/54/276358254.db2.gz ULPLANORJONIFS-MRXNPFEDSA-N 0 0 344.455 2.705 50 0 EFAARN CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(F)cc2)C1=O ZINC000006757614 276595300 /nfs/dbraw/zinc/59/53/00/276595300.db2.gz QRKSPLRYUANJIE-INIZCTEOSA-N 0 0 341.338 2.848 50 0 EFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3cccs3)N2C1=O ZINC000004326256 276643025 /nfs/dbraw/zinc/64/30/25/276643025.db2.gz BMHQAVCMVNKFSX-BXKDBHETSA-N 0 0 336.438 2.960 50 0 EFAARN CN(C)c1ccc(-n2nc3cc(C(F)(F)F)ccc3nc2=O)cc1 ZINC000070461093 276881417 /nfs/dbraw/zinc/88/14/17/276881417.db2.gz JFZKDEZWGWSLCS-UHFFFAOYSA-N 0 0 334.301 2.866 50 0 EFAARN CN1CC2(CCC1=O)CCN(C(=O)NCc1ccc(Cl)cc1)CC2 ZINC000092037965 277022739 /nfs/dbraw/zinc/02/27/39/277022739.db2.gz YHJYFAYGBKEFJT-UHFFFAOYSA-N 0 0 349.862 2.884 50 0 EFAARN CC(=O)Nc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1C ZINC000071416383 277065891 /nfs/dbraw/zinc/06/58/91/277065891.db2.gz NCVMSZQHDDOMPM-UHFFFAOYSA-N 0 0 330.428 2.986 50 0 EFAARN CC(C)(C)C(=O)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000000115466 277128333 /nfs/dbraw/zinc/12/83/33/277128333.db2.gz AEUCNSFJDALKJR-AWEZNQCLSA-N 0 0 326.190 2.594 50 0 EFAARN CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)NC1CCCC1 ZINC000077355632 277171479 /nfs/dbraw/zinc/17/14/79/277171479.db2.gz JLHRBAXVPKDQLG-KRWDZBQOSA-N 0 0 343.471 2.980 50 0 EFAARN COC(=O)c1nc(NC(=O)c2nc(Cl)sc2C)sc1C ZINC000096231238 277172597 /nfs/dbraw/zinc/17/25/97/277172597.db2.gz VYAWDNHXJBXREA-UHFFFAOYSA-N 0 0 331.806 2.909 50 0 EFAARN CN1C[C@@H](C(=O)N2CCc3c([nH]c4ccccc43)C2)Oc2ccccc21 ZINC000097745182 277192084 /nfs/dbraw/zinc/19/20/84/277192084.db2.gz BZRGXISFFPXLBU-FQEVSTJZSA-N 0 0 347.418 2.950 50 0 EFAARN COc1cc([C@H]2CC(=O)Nc3ccc4nsnc4c32)ccc1O ZINC000096223695 277388785 /nfs/dbraw/zinc/38/87/85/277388785.db2.gz NPEFUCWEXVNKIW-SECBINFHSA-N 0 0 327.365 2.880 50 0 EFAARN COC(=O)c1cc(Br)cc(I)c1 ZINC000002568106 277418768 /nfs/dbraw/zinc/41/87/68/277418768.db2.gz WUSQONUPNHFBOU-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2C ZINC000020604513 277418438 /nfs/dbraw/zinc/41/84/38/277418438.db2.gz OBJZQRMTNYSAPL-UHFFFAOYSA-N 0 0 333.394 2.506 50 0 EFAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 ZINC000001061652 277435937 /nfs/dbraw/zinc/43/59/37/277435937.db2.gz VVIDJFYJXNVYEH-ZDUSSCGKSA-N 0 0 339.347 2.719 50 0 EFAARN COC[C@H]1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)C1 ZINC000097468081 277605910 /nfs/dbraw/zinc/60/59/10/277605910.db2.gz VNANBCXGAWIWQK-AWEZNQCLSA-N 0 0 325.412 2.741 50 0 EFAARN COc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000036365846 277916601 /nfs/dbraw/zinc/91/66/01/277916601.db2.gz QEJSDAJHRURCMH-UHFFFAOYSA-N 0 0 329.381 2.682 50 0 EFAARN COc1ccc([C@H]2C[C@@H](c3cccs3)Nc3nnnn32)c(OC)c1 ZINC000000222711 277935648 /nfs/dbraw/zinc/93/56/48/277935648.db2.gz CPMZGGDRMSLFMD-QWHCGFSZSA-N 0 0 343.412 2.898 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000002709890 278200239 /nfs/dbraw/zinc/20/02/39/278200239.db2.gz SZALFQVERPOVRU-IBGZPJMESA-N 0 0 338.363 2.755 50 0 EFAARN Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000013481899 278607073 /nfs/dbraw/zinc/60/70/73/278607073.db2.gz BXTNNJIQILYHJB-GFCCVEGCSA-N 0 0 342.347 2.877 50 0 biogenic,in-vitro EFAARN Cc1cc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCC4)nn1C ZINC000006787337 278619308 /nfs/dbraw/zinc/61/93/08/278619308.db2.gz IZXZOIVEPKNQLA-UHFFFAOYSA-N 0 0 332.454 2.657 50 0 EFAARN C[C@@H]1CN(c2ccccc2)C(=O)CN1Cc1noc(-c2ccccc2)n1 ZINC000092022225 278805675 /nfs/dbraw/zinc/80/56/75/278805675.db2.gz WNKFCURCHCZWJS-OAHLLOKOSA-N 0 0 348.406 2.974 50 0 EFAARN Cc1nn(C)c2c1[C@@H](c1ccc3c(c1)OCCO3)SCC(=O)N2 ZINC000049547992 279203083 /nfs/dbraw/zinc/20/30/83/279203083.db2.gz UBVXGNFHPZMYAS-OAHLLOKOSA-N 0 0 331.397 2.924 50 0 EFAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O ZINC000229968264 279251699 /nfs/dbraw/zinc/25/16/99/279251699.db2.gz CWROMPSYTREGNL-RRFJBIMHSA-N 0 0 328.393 2.615 50 0 EFAARN CCN1C(C(=O)OC)=C(c2ccccc2)c2ccccc2S1(=O)=O ZINC000067244960 279254227 /nfs/dbraw/zinc/25/42/27/279254227.db2.gz QDMXMIIGHFDIBL-UHFFFAOYSA-N 0 0 343.404 2.643 50 0 EFAARN CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1O)CC2 ZINC000091998075 279256139 /nfs/dbraw/zinc/25/61/39/279256139.db2.gz ZLMNAMPJGWGRTL-UHFFFAOYSA-N 0 0 330.428 2.565 50 0 EFAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccs1 ZINC000001025264 279530194 /nfs/dbraw/zinc/53/01/94/279530194.db2.gz LFFMTPATFLXRGG-BXKDBHETSA-N 0 0 336.438 2.960 50 0 EFAARN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@@H]1CCc2cc(C)ccc2C1=O ZINC000004751494 279614210 /nfs/dbraw/zinc/61/42/10/279614210.db2.gz OOKPSYFHOOGFIE-JYJNAYRXSA-N 0 0 344.407 2.871 50 0 EFAARN Cc1c2ccc(C)cc2oc1C(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000091934701 280266596 /nfs/dbraw/zinc/26/65/96/280266596.db2.gz ZWSZXKYXLSTANZ-KGLIPLIRSA-N 0 0 326.396 2.885 50 0 EFAARN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1F ZINC000004576673 280320153 /nfs/dbraw/zinc/32/01/53/280320153.db2.gz ZFNPVYMGVRFAAY-OZVVPTBGSA-N 0 0 336.160 2.900 50 0 EFAARN CC[C@H](SC(C)=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000013844172 281012924 /nfs/dbraw/zinc/01/29/24/281012924.db2.gz ANXFBAWYOHEXJS-JTQLQIEISA-N 0 0 340.470 2.723 50 0 EFAARN Cc1cccc(-n2ncc3c4nc(-c5ccncc5)nn4cnc32)c1 ZINC000000529773 281188828 /nfs/dbraw/zinc/18/88/28/281188828.db2.gz YOVJOKDVYDWDCW-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000608472 281203872 /nfs/dbraw/zinc/20/38/72/281203872.db2.gz RMDKKTCZKDYCPW-UHFFFAOYSA-N 0 0 330.453 2.814 50 0 EFAARN Cc1cccc(C)c1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)C2=C1O ZINC000101359404 281203932 /nfs/dbraw/zinc/20/39/32/281203932.db2.gz JFLNOABZUVHYEX-YOEHRIQHSA-N 0 0 338.338 2.735 50 0 EFAARN CC[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c([O-])[nH]c(=S)[nH]c2=O)[NH2+]1 ZINC000020759741 281239219 /nfs/dbraw/zinc/23/92/19/281239219.db2.gz TYSKKCPATHSIQF-RMLUDKJBSA-N 0 0 342.424 2.633 50 0 biogenic EFAARN CC1(C)C[C@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)CCO1 ZINC000091587296 281334167 /nfs/dbraw/zinc/33/41/67/281334167.db2.gz KYLPRMDOEPCXPF-OAHLLOKOSA-N 0 0 348.487 2.585 50 0 EFAARN CC1(C)C[C@H](N2CCN([C@@H]3CCOC(C)(C)C3)C2=S)CCO1 ZINC000012296910 281336050 /nfs/dbraw/zinc/33/60/50/281336050.db2.gz BAUALJMLWACTKT-ZIAGYGMSSA-N 0 0 326.506 2.804 50 0 biogenic EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1nc(-c3ccccc3)oc1C)C2 ZINC000097198106 281530781 /nfs/dbraw/zinc/53/07/81/281530781.db2.gz CUIPHPJJMCDVBP-OAHLLOKOSA-N 0 0 336.395 2.900 50 0 EFAARN Cc1cn2c(ncc(C(=O)Nc3nc4c(s3)CCCC4)c2=O)s1 ZINC000095473632 281555609 /nfs/dbraw/zinc/55/56/09/281555609.db2.gz QZIFAQYWJPDXAN-UHFFFAOYSA-N 0 0 346.437 2.652 50 0 EFAARN CC[C@H]1C[C@@]2(C)NC(=O)c3c4c(sc3N2C1=O)COC(C)(C)C4 ZINC000000553969 288342938 /nfs/dbraw/zinc/34/29/38/288342938.db2.gz MCUUPBUDSNANFJ-XYZCENFISA-N 0 0 334.441 2.822 50 0 EFAARN CC12CN3CC(C)(CN(C1)C3c1cccc(Br)c1)C2=O ZINC000019312833 281613470 /nfs/dbraw/zinc/61/34/70/281613470.db2.gz HMPDTICANIIRFK-UHFFFAOYSA-N 0 0 335.245 2.674 50 0 biogenic EFAARN CN(C)[C@H](C(=O)N1CCC2(CCOCC2)CC1)c1ccccc1F ZINC000095382690 289344909 /nfs/dbraw/zinc/34/49/09/289344909.db2.gz GJOHMMNWDDYGNY-KRWDZBQOSA-N 0 0 334.435 2.848 50 0 EFAARN CC(C)Oc1ncccc1NC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000131406037 293196027 /nfs/dbraw/zinc/19/60/27/293196027.db2.gz VLWPERKKJNBVOW-UHFFFAOYSA-N 0 0 337.379 2.892 50 0 EFAARN Cc1oc2c(c1C(=O)N1Cc3ccccc3[C@H](O)C1)C(=O)CCC2 ZINC000082133469 294038843 /nfs/dbraw/zinc/03/88/43/294038843.db2.gz GCRWJZZPKJSVEX-OAHLLOKOSA-N 0 0 325.364 2.796 50 0 EFAARN Cn1c2sc3c(c2c(=O)n(-c2ccccc2)c1=O)CC(C)(C)OC3 ZINC000004339199 294194404 /nfs/dbraw/zinc/19/44/04/294194404.db2.gz LQZPTOSJRTZBTO-UHFFFAOYSA-N 0 0 342.420 2.602 50 0 EFAARN COc1cc(C(=O)[O-])cc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)c1 ZINC000097243853 294945303 /nfs/dbraw/zinc/94/53/03/294945303.db2.gz FQJSUCZTOZHNOM-UHFFFAOYSA-N 0 0 348.443 2.778 50 0 EFAARN COc1cc([C@H]2SCC(=O)Nc3c2cnn3C)cc(OC)c1O ZINC000049550607 295026556 /nfs/dbraw/zinc/02/65/56/295026556.db2.gz AMLSRLSLJBCPIN-CQSZACIVSA-N 0 0 335.385 2.567 50 0 EFAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2NC3=O)cc1 ZINC000000101590 295155288 /nfs/dbraw/zinc/15/52/88/295155288.db2.gz RLJZCFZGIVVNEA-KRWDZBQOSA-N 0 0 326.377 2.580 50 0 EFAARN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@@H](c2cccc(Cl)c2)N1 ZINC000013811585 295210681 /nfs/dbraw/zinc/21/06/81/295210681.db2.gz MRUWOIKSRCTMME-ZDUSSCGKSA-N 0 0 325.759 2.848 50 0 EFAARN COc1ccc([C@H](NC(=O)C2CCCCCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244626537 295242457 /nfs/dbraw/zinc/24/24/57/295242457.db2.gz FNNWGIZELSQWDY-JZXOWHBKSA-N 0 0 332.444 2.989 50 0 EFAARN COc1ccc2c(c1)OC[C@]1(C(=O)[O-])C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC000095529580 295268819 /nfs/dbraw/zinc/26/88/19/295268819.db2.gz LNZJNMQJIDLKKT-IUODEOHRSA-N 0 0 345.317 2.510 50 0 EFAARN COc1ccccc1[C@H](C(=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000095376938 295396936 /nfs/dbraw/zinc/39/69/36/295396936.db2.gz GBWGXOQSXACKHM-GOSISDBHSA-N 0 0 332.444 2.771 50 0 EFAARN O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000097156111 304519328 /nfs/dbraw/zinc/51/93/28/304519328.db2.gz LOLAXWHEMKIHIW-GOSISDBHSA-N 0 0 333.395 2.699 50 0 EFAARN O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCCC1 ZINC000006344806 304594352 /nfs/dbraw/zinc/59/43/52/304594352.db2.gz UDJUCQMBESIPKM-UHFFFAOYSA-N 0 0 325.393 2.659 50 0 EFAARN Cc1cc(NC(=O)[C@H](Sc2nccc(=O)[nH]2)c2ccccc2)no1 ZINC000009194066 301359733 /nfs/dbraw/zinc/35/97/33/301359733.db2.gz PKXNNHMEUAHSOI-CQSZACIVSA-N 0 0 342.380 2.951 50 0 EFAARN Cc1ccc(N2O[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101607718 301631814 /nfs/dbraw/zinc/63/18/14/301631814.db2.gz HOZZJRZZAUAVBB-PMPSAXMXSA-N 0 0 342.782 2.783 50 0 EFAARN Cc1cccc([C@H](C(=O)[O-])[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000004241778 302027933 /nfs/dbraw/zinc/02/79/33/302027933.db2.gz BNJJGALLZCKLBR-OAHLLOKOSA-N 0 0 334.416 2.673 50 0 EFAARN Cc1ccn2cc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)nc2c1 ZINC000097679837 302262773 /nfs/dbraw/zinc/26/27/73/302262773.db2.gz QCSRHPZLFZYHOP-HNNXBMFYSA-N 0 0 325.416 2.684 50 0 EFAARN Cc1nn(C)cc1[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000071279442 302802130 /nfs/dbraw/zinc/80/21/30/302802130.db2.gz WUDNVVWJHUADIO-GFCCVEGCSA-N 0 0 329.404 2.847 50 0 EFAARN Nn1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCCC1 ZINC000000531907 303506826 /nfs/dbraw/zinc/50/68/26/303506826.db2.gz IJWHACPYCSRTCR-UHFFFAOYSA-N 0 0 349.435 2.910 50 0 EFAARN O=C(N1CCNC1=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000207000526 303682558 /nfs/dbraw/zinc/68/25/58/303682558.db2.gz 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CC(C)C[C@@H](NC(=O)Nc1ccc2c[nH]nc2c1)c1ncnn1C ZINC000096148094 473315308 /nfs/dbraw/zinc/31/53/08/473315308.db2.gz RTJIQOKGDZRYTO-CQSZACIVSA-N 0 0 327.392 2.600 50 0 EFAARN Cc1cccc2[nH]c([C@H]3CCCN(c4nc(N)nc5nc[nH]c54)C3)nc21 ZINC000096149407 473315319 /nfs/dbraw/zinc/31/53/19/473315319.db2.gz YJKCRHMXZBMJBM-NSHDSACASA-N 0 0 348.414 2.504 50 0 EFAARN C[C@]1(O)CCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C[C@@H]1O ZINC000096149784 473315357 /nfs/dbraw/zinc/31/53/57/473315357.db2.gz KYPPCPCJTQXVRC-FPOVZHCZSA-N 0 0 339.435 2.630 50 0 EFAARN CN(CCC[C@H]1CCCO1)C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000096152002 473315965 /nfs/dbraw/zinc/31/59/65/473315965.db2.gz HTHUGTGWIKFKRM-INIZCTEOSA-N 0 0 329.404 2.690 50 0 EFAARN O=C(NCCNc1cccnc1)Nc1ccnn1C[C@@H]1CC=CCC1 ZINC000096153853 473316574 /nfs/dbraw/zinc/31/65/74/473316574.db2.gz PRANFUNLOZVFQB-OAHLLOKOSA-N 0 0 340.431 2.868 50 0 EFAARN O=C1C[C@@H](CNc2nccc(-c3ccccn3)n2)CN1C1CCCC1 ZINC000096153671 473316761 /nfs/dbraw/zinc/31/67/61/473316761.db2.gz BRESGWLCLPKKTD-AWEZNQCLSA-N 0 0 337.427 2.742 50 0 EFAARN Cc1nnc([C@H](C)NC(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)[nH]1 ZINC000096152236 473317094 /nfs/dbraw/zinc/31/70/94/473317094.db2.gz WPFNTOCVIARULJ-VIFPVBQESA-N 0 0 327.392 2.996 50 0 EFAARN CCc1ccc(-n2cnnc2)cc1NC(=O)NCC1(O)CCCCC1 ZINC000096162285 473319260 /nfs/dbraw/zinc/31/92/60/473319260.db2.gz PXKHPNDUHGVDBE-UHFFFAOYSA-N 0 0 343.431 2.646 50 0 EFAARN O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-c2cc[nH]n2)cc1 ZINC000096160026 473320596 /nfs/dbraw/zinc/32/05/96/473320596.db2.gz YKHQRJIJOWDKLM-UHFFFAOYSA-N 0 0 335.363 2.778 50 0 EFAARN CCn1nc(Cn2cncn2)nc1Cc1ccc(C(F)(F)F)cc1 ZINC000096163608 473321078 /nfs/dbraw/zinc/32/10/78/473321078.db2.gz WFESBTIMAUUDPJ-UHFFFAOYSA-N 0 0 336.321 2.547 50 0 EFAARN COc1ccccc1-n1nc(C)nc1-c1ccc2nc(CO)[nH]c2c1 ZINC000096179783 473323034 /nfs/dbraw/zinc/32/30/34/473323034.db2.gz ZLKMTMSEFWQOPN-UHFFFAOYSA-N 0 0 335.367 2.620 50 0 EFAARN CC(C)c1nnc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)s1 ZINC000096179846 473323459 /nfs/dbraw/zinc/32/34/59/473323459.db2.gz KTCXIHISUMAYBU-CXAGYDPISA-N 0 0 331.441 2.636 50 0 EFAARN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cccc(C)n2)C3)cc1 ZINC000096179735 473323660 /nfs/dbraw/zinc/32/36/60/473323660.db2.gz KGXBIWJWSWRLLA-UHFFFAOYSA-N 0 0 348.406 2.987 50 0 EFAARN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@](O)(CO)C2)c1 ZINC000096179910 473323701 /nfs/dbraw/zinc/32/37/01/473323701.db2.gz SMUBBPVBYFDVCC-LJQANCHMSA-N 0 0 342.395 2.748 50 0 EFAARN Cc1c(NC(=O)CCSc2ccc3c(c2)OCCO3)cnn1C ZINC000177240885 473341091 /nfs/dbraw/zinc/34/10/91/473341091.db2.gz DLWMDBPMTKGJQO-UHFFFAOYSA-N 0 0 333.413 2.621 50 0 EFAARN COc1ccc(OCC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cc1 ZINC000150750720 473347643 /nfs/dbraw/zinc/34/76/43/473347643.db2.gz OIEXONGETDZSPM-ZDUSSCGKSA-N 0 0 340.379 2.695 50 0 EFAARN COc1ccccc1[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)OC ZINC000096385344 473377531 /nfs/dbraw/zinc/37/75/31/473377531.db2.gz OALWTKBBYDHCKF-KRWDZBQOSA-N 0 0 344.367 2.933 50 0 EFAARN CCOc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 ZINC000096345565 473374616 /nfs/dbraw/zinc/37/46/16/473374616.db2.gz OCBVBMXEKFMZFS-UHFFFAOYSA-N 0 0 341.411 2.550 50 0 EFAARN CCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1N1CCCC1 ZINC000096341529 473375578 /nfs/dbraw/zinc/37/55/78/473375578.db2.gz IYIUVBYVEXUOQQ-UHFFFAOYSA-N 0 0 327.384 2.929 50 0 EFAARN Cc1ccc([C@@H](CNC(=O)NCc2cccs2)OCCO)cc1 ZINC000096338374 473375646 /nfs/dbraw/zinc/37/56/46/473375646.db2.gz BVVQAGGEUCNRNY-MRXNPFEDSA-N 0 0 334.441 2.606 50 0 EFAARN Cc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)OCCO)cc1 ZINC000096337648 473375805 /nfs/dbraw/zinc/37/58/05/473375805.db2.gz YSCVBPVSMAXDSM-LJQANCHMSA-N 0 0 342.439 2.541 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCCn1ccc2cccnc21 ZINC000096353366 473376641 /nfs/dbraw/zinc/37/66/41/473376641.db2.gz IIAZDNHJRROXMF-FNORWQNLSA-N 0 0 349.390 2.985 50 0 EFAARN O=C(Nc1ccccc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096375070 473376738 /nfs/dbraw/zinc/37/67/38/473376738.db2.gz SNWYOVOVEVBEJK-UHFFFAOYSA-N 0 0 348.424 2.891 50 0 EFAARN CC(C)CS(=O)(=O)C1CCN(C(=O)CSC2CCCC2)CC1 ZINC000096374565 473376873 /nfs/dbraw/zinc/37/68/73/473376873.db2.gz GZRAJBXFZYWMDV-UHFFFAOYSA-N 0 0 347.546 2.724 50 0 EFAARN COc1ccc(CC(=O)NC[C@@H](OC)c2cccc(F)c2)cc1OC ZINC000096388182 473377449 /nfs/dbraw/zinc/37/74/49/473377449.db2.gz KIIWDDVRKKVCMJ-GOSISDBHSA-N 0 0 347.386 2.889 50 0 EFAARN COc1ccccc1[C@H](CNS(=O)(=O)Cc1ccc(C)cc1)OC ZINC000096384885 473377842 /nfs/dbraw/zinc/37/78/42/473377842.db2.gz WMWSHNWFBKKNKO-SFHVURJKSA-N 0 0 349.452 2.811 50 0 EFAARN CO[C@@H](CNS(=O)(=O)c1ccc(F)c(C)c1)c1cccc(F)c1 ZINC000096388419 473377952 /nfs/dbraw/zinc/37/79/52/473377952.db2.gz NSOLPLYCSYHXTG-INIZCTEOSA-N 0 0 341.379 2.939 50 0 EFAARN CO[C@@H](CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(F)c1 ZINC000096388405 473378032 /nfs/dbraw/zinc/37/80/32/473378032.db2.gz IKOURZFRCDFEMP-KRWDZBQOSA-N 0 0 337.416 2.941 50 0 EFAARN COC(=O)c1ccc(C(=O)NC[C@@H](OC)c2ccccc2OC)cc1 ZINC000096384571 473378231 /nfs/dbraw/zinc/37/82/31/473378231.db2.gz CAOYFITVRBVJJR-QGZVFWFLSA-N 0 0 343.379 2.599 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000000027691 471317241 /nfs/dbraw/zinc/31/72/41/471317241.db2.gz GHZGHHLJVPVHAJ-LBPRGKRZSA-N 0 0 328.290 2.896 50 0 EFAARN CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000000030133 471317320 /nfs/dbraw/zinc/31/73/20/471317320.db2.gz PQBFLLCGQSLIAY-UHFFFAOYSA-N 0 0 349.427 2.899 50 0 EFAARN Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 ZINC000000036139 471318425 /nfs/dbraw/zinc/31/84/25/471318425.db2.gz UGHQPVZOXAOMQT-UHFFFAOYSA-N 0 0 345.247 2.614 50 0 EFAARN O=C(CCn1c(=O)sc2ccccc21)n1c(=O)oc2ccccc21 ZINC000000035153 471318904 /nfs/dbraw/zinc/31/89/04/471318904.db2.gz JRWJOGSBXPYNTG-UHFFFAOYSA-N 0 0 340.360 2.701 50 0 EFAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000000036502 471319092 /nfs/dbraw/zinc/31/90/92/471319092.db2.gz IVJJKKVPKKGKRZ-GFCCVEGCSA-N 0 0 344.289 2.728 50 0 EFAARN O=C(CSC1=N[C@H](c2ccccc2)CC(=O)N1)Nc1ccccc1 ZINC000000080051 471320491 /nfs/dbraw/zinc/32/04/91/471320491.db2.gz PASUUNNXDLRTNX-HNNXBMFYSA-N 0 0 339.420 2.976 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000000089600 471321622 /nfs/dbraw/zinc/32/16/22/471321622.db2.gz NPCOYASZGQPAJA-UHFFFAOYSA-N 0 0 326.324 2.724 50 0 EFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000094438 471322252 /nfs/dbraw/zinc/32/22/52/471322252.db2.gz STBJYGFULFPAIH-UHFFFAOYSA-N 0 0 348.443 2.899 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 ZINC000000086281 471322389 /nfs/dbraw/zinc/32/23/89/471322389.db2.gz WCDFVUNBWRYRGQ-UHFFFAOYSA-N 0 0 343.335 2.887 50 0 EFAARN O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000000099171 471323488 /nfs/dbraw/zinc/32/34/88/471323488.db2.gz UDRMXNDNRKZTRX-HNNXBMFYSA-N 0 0 340.404 2.690 50 0 EFAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000000102787 471323507 /nfs/dbraw/zinc/32/35/07/471323507.db2.gz NOFBDLIXYGYURJ-UHFFFAOYSA-N 0 0 329.739 2.793 50 0 EFAARN COc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1OC ZINC000000105679 471324157 /nfs/dbraw/zinc/32/41/57/471324157.db2.gz NDPUDTFFDWEXRR-UHFFFAOYSA-N 0 0 339.189 2.968 50 0 EFAARN Cc1cc(C(F)(F)F)nc(NC(=O)NC(=O)c2ccc(F)cc2)n1 ZINC000000108904 471324358 /nfs/dbraw/zinc/32/43/58/471324358.db2.gz YWQBHWBNYPOXKE-UHFFFAOYSA-N 0 0 342.252 2.905 50 0 EFAARN COC(=O)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000000104282 471324419 /nfs/dbraw/zinc/32/44/19/471324419.db2.gz COTVVHZLBCGMQG-INIZCTEOSA-N 0 0 343.335 2.772 50 0 biogenic EFAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 ZINC000000110593 471324650 /nfs/dbraw/zinc/32/46/50/471324650.db2.gz OQFOOVMKJDLAEN-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN COc1ccc(CCNC(=O)COc2cccc(C)c2)cc1OC ZINC000000128609 471326039 /nfs/dbraw/zinc/32/60/39/471326039.db2.gz GZCRMQITMXYQEZ-UHFFFAOYSA-N 0 0 329.396 2.750 50 0 biogenic EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000000123224 471326065 /nfs/dbraw/zinc/32/60/65/471326065.db2.gz WVCQAGGYMULWKU-UHFFFAOYSA-N 0 0 343.335 2.521 50 0 EFAARN O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCC2)c1ccco1 ZINC000000127241 471326507 /nfs/dbraw/zinc/32/65/07/471326507.db2.gz XUNFBSHXCYJLNE-UHFFFAOYSA-N 0 0 346.408 2.555 50 0 EFAARN CCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000000123030 471326511 /nfs/dbraw/zinc/32/65/11/471326511.db2.gz JORNWHAWDCUIAU-UHFFFAOYSA-N 0 0 342.399 2.542 50 0 EFAARN CC(C)=C[C@@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C ZINC000000133687 471326653 /nfs/dbraw/zinc/32/66/53/471326653.db2.gz CXBMCYHAMVGWJQ-HUUCEWRRSA-N 0 0 331.412 2.965 50 0 in-man EFAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000135096 471327297 /nfs/dbraw/zinc/32/72/97/471327297.db2.gz JMEDQPAUKNVNME-UHFFFAOYSA-N 0 0 332.425 2.611 50 0 EFAARN Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000000139748 471327891 /nfs/dbraw/zinc/32/78/91/471327891.db2.gz QOKLWPUCDVDBCQ-UHFFFAOYSA-N 0 0 330.409 2.923 50 0 EFAARN COc1ccc(CCNC2=CC(=O)OC23CCCCC3)cc1OC ZINC000000140448 471328253 /nfs/dbraw/zinc/32/82/53/471328253.db2.gz GCSQJOHEISIYAY-UHFFFAOYSA-N 0 0 331.412 2.980 50 0 EFAARN CCOC(=O)c1sc2ncn(Cc3ccccc3)c(=O)c2c1C ZINC000000145096 471328485 /nfs/dbraw/zinc/32/84/85/471328485.db2.gz XXIWPSZNAXBVSV-UHFFFAOYSA-N 0 0 328.393 2.991 50 0 EFAARN COc1cc(C(=O)Oc2ccc3c(c2)OCC3=O)cc(OC)c1OC ZINC000000145986 471328518 /nfs/dbraw/zinc/32/85/18/471328518.db2.gz JAWBHVDMHTXOQU-UHFFFAOYSA-N 0 0 344.319 2.507 50 0 EFAARN O=S(=O)(N[C@H]1CCCc2ccccc21)c1cccc2nonc21 ZINC000000152650 471328721 /nfs/dbraw/zinc/32/87/21/471328721.db2.gz QXWYVYXPSCMLBN-ZDUSSCGKSA-N 0 0 329.381 2.579 50 0 EFAARN CN(C(=O)c1cc(C(C)(C)C)nn1C)c1nnc(C(F)(F)F)s1 ZINC000000155751 471328988 /nfs/dbraw/zinc/32/89/88/471328988.db2.gz WRFLLAQSEAGTRG-UHFFFAOYSA-N 0 0 347.366 2.865 50 0 EFAARN Cc1sc2ncn(CC(N)=O)c(=O)c2c1-c1ccc(C)c(C)c1 ZINC000000149240 471329031 /nfs/dbraw/zinc/32/90/31/471329031.db2.gz YFMFUPAXJWYGHO-UHFFFAOYSA-N 0 0 327.409 2.536 50 0 EFAARN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000153380 471329235 /nfs/dbraw/zinc/32/92/35/471329235.db2.gz ZEWYWJINYJHKIJ-AWEZNQCLSA-N 0 0 339.800 2.533 50 0 EFAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCc2ccccc21 ZINC000000157257 471329268 /nfs/dbraw/zinc/32/92/68/471329268.db2.gz DIYDREJCHXYKKK-UHFFFAOYSA-N 0 0 349.408 2.825 50 0 EFAARN CC(C)OC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000148153 471329328 /nfs/dbraw/zinc/32/93/28/471329328.db2.gz YFGTWDLRSHEYAA-UHFFFAOYSA-N 0 0 344.392 2.813 50 0 EFAARN O=C(CCc1nc(-c2ccccn2)no1)NCc1ccc(F)cc1 ZINC000000155548 471329530 /nfs/dbraw/zinc/32/95/30/471329530.db2.gz KRHCXCZFCSDHRX-UHFFFAOYSA-N 0 0 326.331 2.520 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(O)cc1 ZINC000000171305 471329796 /nfs/dbraw/zinc/32/97/96/471329796.db2.gz ZLMPVBUDVJRLTQ-OAHLLOKOSA-N 0 0 328.320 2.894 50 0 biogenic EFAARN COc1cc(C=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000159143 471330512 /nfs/dbraw/zinc/33/05/12/471330512.db2.gz HVTQNCJLDBFXOU-UHFFFAOYSA-N 0 0 346.335 2.753 50 0 EFAARN Cc1nnsc1C(=O)Nc1cc(Br)cnc1Cl ZINC000000166788 471330715 /nfs/dbraw/zinc/33/07/15/471330715.db2.gz GOYMLOSFIMPHFN-UHFFFAOYSA-N 0 0 333.598 2.910 50 0 EFAARN CC1=C(C(=O)OCc2ccco2)[C@@H](c2ccc(F)cc2)NC(=O)N1 ZINC000000179347 471331720 /nfs/dbraw/zinc/33/17/20/471331720.db2.gz KNPKSLKXKXPWCJ-OAHLLOKOSA-N 0 0 330.315 2.790 50 0 EFAARN COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000178507 471331914 /nfs/dbraw/zinc/33/19/14/471331914.db2.gz GDAKWHNHPCQNRS-UHFFFAOYSA-N 0 0 345.395 2.694 50 0 EFAARN COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000000190603 471332141 /nfs/dbraw/zinc/33/21/41/471332141.db2.gz WGMZFJPNSDIZFM-CYBMUJFWSA-N 0 0 338.816 2.565 50 0 EFAARN Cc1c2ccc(OCC(N)=O)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000000186421 471332399 /nfs/dbraw/zinc/33/23/99/471332399.db2.gz XHQNCCWZUZGTHO-UHFFFAOYSA-N 0 0 337.375 2.865 50 0 biogenic EFAARN NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)S1 ZINC000000190931 471332471 /nfs/dbraw/zinc/33/24/71/471332471.db2.gz WGTSZRDINPSISG-AWEZNQCLSA-N 0 0 325.393 2.639 50 0 EFAARN CCOC(=O)c1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1 ZINC000000189694 471332536 /nfs/dbraw/zinc/33/25/36/471332536.db2.gz ZRLOCSQMFPEEOG-UHFFFAOYSA-N 0 0 344.348 2.679 50 0 EFAARN O=C(N(CN1C(=O)c2ccccc2C1=O)c1ccccc1)C(F)(F)F ZINC000000188235 471332916 /nfs/dbraw/zinc/33/29/16/471332916.db2.gz KDCZQSKCOBKEQT-UHFFFAOYSA-N 0 0 348.280 2.836 50 0 EFAARN COc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1 ZINC000000200068 471333411 /nfs/dbraw/zinc/33/34/11/471333411.db2.gz VCPYKRXTZIABJJ-UHFFFAOYSA-N 0 0 342.447 2.971 50 0 EFAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ncccn1)c1ccccc1 ZINC000000197609 471333800 /nfs/dbraw/zinc/33/38/00/471333800.db2.gz LMKOOLSVNOKNCN-HUUCEWRRSA-N 0 0 349.481 2.858 50 0 EFAARN CCOc1ccc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)cc1 ZINC000000204539 471334376 /nfs/dbraw/zinc/33/43/76/471334376.db2.gz WHMAJUAHXIXTJL-CQSZACIVSA-N 0 0 334.269 2.506 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1NC(C)=C[C@@]1(O)C(F)(F)F ZINC000000204402 471334385 /nfs/dbraw/zinc/33/43/85/471334385.db2.gz LBOHIURHEHIWGY-GFCCVEGCSA-N 0 0 336.697 2.821 50 0 EFAARN CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1OC ZINC000000205703 471334499 /nfs/dbraw/zinc/33/44/99/471334499.db2.gz FMJXOYASCHHXLB-CYBMUJFWSA-N 0 0 333.413 2.596 50 0 EFAARN COc1cccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 ZINC000000202668 471334580 /nfs/dbraw/zinc/33/45/80/471334580.db2.gz QPYXDYFTEKSINJ-KSSFIOAISA-N 0 0 333.384 2.525 50 0 biogenic EFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)cc1 ZINC000000202679 471334747 /nfs/dbraw/zinc/33/47/47/471334747.db2.gz GOPDTJMAMUZZSL-KSSFIOAISA-N 0 0 333.384 2.525 50 0 biogenic EFAARN CC(C)Oc1ccc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)cc1 ZINC000000204542 471334984 /nfs/dbraw/zinc/33/49/84/471334984.db2.gz BECBLNMRNMDZCM-OAHLLOKOSA-N 0 0 348.296 2.895 50 0 EFAARN COc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000209098 471336140 /nfs/dbraw/zinc/33/61/40/471336140.db2.gz UGWVZEVQSSOVSU-UHFFFAOYSA-N 0 0 328.387 2.726 50 0 EFAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCCCC1 ZINC000000219211 471337134 /nfs/dbraw/zinc/33/71/34/471337134.db2.gz RNMQNJCHCYCUFD-UHFFFAOYSA-N 0 0 325.412 2.749 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)cc1 ZINC000000220011 471337604 /nfs/dbraw/zinc/33/76/04/471337604.db2.gz FLZXESMKNPYDDO-UHFFFAOYSA-N 0 0 325.412 2.668 50 0 EFAARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(F)cc1 ZINC000000223141 471337960 /nfs/dbraw/zinc/33/79/60/471337960.db2.gz VUIPSWRYHOEAKL-UHFFFAOYSA-N 0 0 333.359 2.749 50 0 EFAARN CC(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000000220134 471338077 /nfs/dbraw/zinc/33/80/77/471338077.db2.gz OKCIJNUWTWRTST-UHFFFAOYSA-N 0 0 333.819 2.726 50 0 EFAARN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000000240435 471338717 /nfs/dbraw/zinc/33/87/17/471338717.db2.gz LFUNNQKKBSPAJW-OAHLLOKOSA-N 0 0 334.460 2.784 50 0 EFAARN CCOc1ccc(N2C(=O)C[C@H](n3cnc4ccccc43)C2=O)cc1 ZINC000000242495 471339071 /nfs/dbraw/zinc/33/90/71/471339071.db2.gz KHONSCLLVRIQDL-KRWDZBQOSA-N 0 0 335.363 2.940 50 0 EFAARN Cc1cccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000000240122 471339360 /nfs/dbraw/zinc/33/93/60/471339360.db2.gz SAYDOFHRPABVEP-CABCVRRESA-N 0 0 339.464 2.973 50 0 EFAARN CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccccn1 ZINC000000248248 471340411 /nfs/dbraw/zinc/34/04/11/471340411.db2.gz NEVAQJHTYLBPDX-QGZVFWFLSA-N 0 0 331.460 2.809 50 0 EFAARN CCOc1cc(C(=O)Nc2ncccn2)cc(OCC)c1OCC ZINC000000253757 471340498 /nfs/dbraw/zinc/34/04/98/471340498.db2.gz XXDYLJNEKVJCMR-UHFFFAOYSA-N 0 0 331.372 2.925 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1OC ZINC000000249214 471340613 /nfs/dbraw/zinc/34/06/13/471340613.db2.gz CRWSKLQVPWJMRR-UHFFFAOYSA-N 0 0 335.381 2.707 50 0 biogenic EFAARN C[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000000255739 471341064 /nfs/dbraw/zinc/34/10/64/471341064.db2.gz AXYZXYYPFYOSSB-JTQLQIEISA-N 0 0 328.755 2.963 50 0 EFAARN CC(=O)Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000000268373 471341198 /nfs/dbraw/zinc/34/11/98/471341198.db2.gz PWRWELWKIRIYAA-UHFFFAOYSA-N 0 0 330.291 2.768 50 0 EFAARN O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000000266643 471341767 /nfs/dbraw/zinc/34/17/67/471341767.db2.gz KNSHTZFYCWNUHJ-UHFFFAOYSA-N 0 0 344.455 2.707 50 0 EFAARN COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(C)s1 ZINC000000264495 471341892 /nfs/dbraw/zinc/34/18/92/471341892.db2.gz UXMJJCFAVCNLPF-UHFFFAOYSA-N 0 0 335.425 2.978 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Oc2ccccc2)n1 ZINC000000280024 471342535 /nfs/dbraw/zinc/34/25/35/471342535.db2.gz DETMSEXNDGUNJD-LLVKDONJSA-N 0 0 334.397 2.655 50 0 EFAARN COc1ccc([C@@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC ZINC000000282377 471343692 /nfs/dbraw/zinc/34/36/92/471343692.db2.gz RXYFEOVYJHRDPG-IBGZPJMESA-N 0 0 344.363 2.910 50 0 biogenic EFAARN COc1ccc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1 ZINC000000285766 471344063 /nfs/dbraw/zinc/34/40/63/471344063.db2.gz VXWWJTSJOUDMLX-UHFFFAOYSA-N 0 0 326.381 2.850 50 0 EFAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 ZINC000000282666 471344139 /nfs/dbraw/zinc/34/41/39/471344139.db2.gz NAVCEUSTFRYRFC-MRXNPFEDSA-N 0 0 337.375 2.774 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccs1 ZINC000000289580 471344159 /nfs/dbraw/zinc/34/41/59/471344159.db2.gz STGCISQQDCDQAV-ZDUSSCGKSA-N 0 0 336.438 2.961 50 0 EFAARN O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000302371 471344648 /nfs/dbraw/zinc/34/46/48/471344648.db2.gz IBKROSLURNUKDB-DOMZBBRYSA-N 0 0 326.318 2.868 50 0 EFAARN CN1C(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1=O ZINC000000305588 471344779 /nfs/dbraw/zinc/34/47/79/471344779.db2.gz ZMBNYXXNDUHUTP-UHFFFAOYSA-N 0 0 328.755 2.747 50 0 EFAARN O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC000000309847 471345497 /nfs/dbraw/zinc/34/54/97/471345497.db2.gz DTYVLRZWGHGRPI-GOSISDBHSA-N 0 0 348.402 2.516 50 0 EFAARN CCOc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1Cl ZINC000000309132 471345555 /nfs/dbraw/zinc/34/55/55/471345555.db2.gz FOQNTGWGGRQNAS-UHFFFAOYSA-N 0 0 349.843 2.938 50 0 EFAARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000000309484 471345880 /nfs/dbraw/zinc/34/58/80/471345880.db2.gz HMCUYRMRADRZNG-UHFFFAOYSA-N 0 0 328.393 2.908 50 0 EFAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Br)cc1 ZINC000000319212 471347843 /nfs/dbraw/zinc/34/78/43/471347843.db2.gz RIYQPKDTWIBZHR-LBPRGKRZSA-N 0 0 328.206 2.767 50 0 EFAARN CC(C)(C)[C@]1(O)C=C(C(F)(F)C(F)(F)F)NN1C(=O)C1CC1 ZINC000000318118 471347899 /nfs/dbraw/zinc/34/78/99/471347899.db2.gz JJMCMVFXTUUVOO-LLVKDONJSA-N 0 0 328.281 2.917 50 0 EFAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)cc2)cc1 ZINC000000321700 471348608 /nfs/dbraw/zinc/34/86/08/471348608.db2.gz OULIUUJTCBQSSB-KRWDZBQOSA-N 0 0 337.379 2.967 50 0 EFAARN COc1ccccc1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000000339924 471349214 /nfs/dbraw/zinc/34/92/14/471349214.db2.gz IWEYFVYHTQSCGA-UHFFFAOYSA-N 0 0 328.387 2.726 50 0 EFAARN COc1ccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1 ZINC000000342893 471349324 /nfs/dbraw/zinc/34/93/24/471349324.db2.gz UVSLKLZEPPXAAC-GZTJUZNOSA-N 0 0 336.347 2.998 50 0 EFAARN COc1ccc(OCC(=O)NC(=S)Nc2cc(C)ccc2O)cc1 ZINC000000342163 471349809 /nfs/dbraw/zinc/34/98/09/471349809.db2.gz YNNWHCLTTVMREO-UHFFFAOYSA-N 0 0 346.408 2.601 50 0 EFAARN CCC(=O)NC(=S)Nc1ccccc1I ZINC000000359636 471350848 /nfs/dbraw/zinc/35/08/48/471350848.db2.gz FJQQEGDSDUXMKV-UHFFFAOYSA-N 0 0 334.182 2.514 50 0 EFAARN CC(=O)c1ccc(NC(=S)NC(=O)COc2ccccc2)cc1 ZINC000000358862 471350900 /nfs/dbraw/zinc/35/09/00/471350900.db2.gz ZVAXQVOITDBSOI-UHFFFAOYSA-N 0 0 328.393 2.781 50 0 EFAARN CC(=O)Oc1ccc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000000359804 471350941 /nfs/dbraw/zinc/35/09/41/471350941.db2.gz YGGXWCDVINJXIS-LFIBNONCSA-N 0 0 338.388 2.874 50 0 EFAARN COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000000369294 471351562 /nfs/dbraw/zinc/35/15/62/471351562.db2.gz QJIDOTGDZADCJW-UHFFFAOYSA-N 0 0 344.367 2.923 50 0 EFAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccccc2-n2cccc2)N1 ZINC000000374305 471351725 /nfs/dbraw/zinc/35/17/25/471351725.db2.gz ACAAARRHTVKSKR-HNNXBMFYSA-N 0 0 337.301 2.950 50 0 EFAARN CCCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 ZINC000000367246 471351887 /nfs/dbraw/zinc/35/18/87/471351887.db2.gz RUCMJPNYNYXEKD-LBPRGKRZSA-N 0 0 344.440 2.791 50 0 EFAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)Cc1ccccc1 ZINC000000376157 471352426 /nfs/dbraw/zinc/35/24/26/471352426.db2.gz JRRPOVGDDAUZMM-UHFFFAOYSA-N 0 0 346.408 2.513 50 0 EFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000000380261 471352859 /nfs/dbraw/zinc/35/28/59/471352859.db2.gz QOEJSBZCLPFCOS-UHFFFAOYSA-N 0 0 346.452 2.515 50 0 EFAARN Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)cc1Br ZINC000000380082 471352943 /nfs/dbraw/zinc/35/29/43/471352943.db2.gz LFTJRJVJRDMNGP-LLVKDONJSA-N 0 0 348.262 2.523 50 0 EFAARN Cc1cccc(NC(=O)CSc2nnc(N)n2-c2ccccc2)c1 ZINC000000386483 471353803 /nfs/dbraw/zinc/35/38/03/471353803.db2.gz HJDROJLGBUFOGN-UHFFFAOYSA-N 0 0 339.424 2.889 50 0 EFAARN COC(=O)c1c(N)n(-c2nc3c(cccc3C)s2)nc1SC ZINC000000385341 471354069 /nfs/dbraw/zinc/35/40/69/471354069.db2.gz ZOUYVLQDLDEJMS-UHFFFAOYSA-N 0 0 334.426 2.881 50 0 EFAARN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1 ZINC000000387188 471354108 /nfs/dbraw/zinc/35/41/08/471354108.db2.gz NAPSEVBGLAFDLR-UHFFFAOYSA-N 0 0 325.773 2.912 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(C)c2)c1 ZINC000000383486 471354137 /nfs/dbraw/zinc/35/41/37/471354137.db2.gz GPVJJZFKZWMULI-UHFFFAOYSA-N 0 0 327.336 2.821 50 0 EFAARN Brc1cc2c(cc1I)OCO2 ZINC000000391296 471354546 /nfs/dbraw/zinc/35/45/46/471354546.db2.gz IKAMVDCUIDIBOG-UHFFFAOYSA-N 0 0 326.915 2.782 50 0 EFAARN O=C(NC(=S)NCc1ccco1)c1ccccc1Br ZINC000000401048 471354875 /nfs/dbraw/zinc/35/48/75/471354875.db2.gz WDQHKPFOYRVFOU-UHFFFAOYSA-N 0 0 339.214 2.847 50 0 EFAARN CCc1nc2ccccc2c(=O)n1CC(=O)N1CCCc2ccccc21 ZINC000000415953 471355979 /nfs/dbraw/zinc/35/59/79/471355979.db2.gz GFNCXRCIVDOOFR-UHFFFAOYSA-N 0 0 347.418 2.938 50 0 EFAARN Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccco1 ZINC000000416154 471356128 /nfs/dbraw/zinc/35/61/28/471356128.db2.gz NGWOVHJMMIUGSJ-UHFFFAOYSA-N 0 0 334.426 2.545 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)CSc2nccc(C)n2)cc1 ZINC000000419500 471356566 /nfs/dbraw/zinc/35/65/66/471356566.db2.gz PJIVOWVSTLMGBV-UHFFFAOYSA-N 0 0 331.397 2.693 50 0 EFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-n2cnnn2)c1 ZINC000000418375 471356672 /nfs/dbraw/zinc/35/66/72/471356672.db2.gz MPRITSLIJJNPNV-UHFFFAOYSA-N 0 0 333.273 2.933 50 0 EFAARN Cn1nnnc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000000421101 471356934 /nfs/dbraw/zinc/35/69/34/471356934.db2.gz GPWCJRNPIVVQEU-UHFFFAOYSA-N 0 0 325.397 2.667 50 0 EFAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1 ZINC000000421414 471357011 /nfs/dbraw/zinc/35/70/11/471357011.db2.gz ONOQYBWBBCENJP-UHFFFAOYSA-N 0 0 342.424 2.792 50 0 EFAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc2N1 ZINC000000423417 471357665 /nfs/dbraw/zinc/35/76/65/471357665.db2.gz MNFFUQRGWDZJFQ-UHFFFAOYSA-N 0 0 338.335 2.650 50 0 EFAARN Nc1c(C(=O)NC2CCCC2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000000424355 471358138 /nfs/dbraw/zinc/35/81/38/471358138.db2.gz SBKNETLGBJHOMU-UHFFFAOYSA-N 0 0 339.321 2.541 50 0 EFAARN COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)cc1 ZINC000000422111 471358179 /nfs/dbraw/zinc/35/81/79/471358179.db2.gz KUUDWAPUSNVZHO-UHFFFAOYSA-N 0 0 340.408 2.520 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 ZINC000000422614 471358320 /nfs/dbraw/zinc/35/83/20/471358320.db2.gz REFXBIYOJUEZDO-UHFFFAOYSA-N 0 0 325.397 2.608 50 0 EFAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cccnc1 ZINC000000442094 471359538 /nfs/dbraw/zinc/35/95/38/471359538.db2.gz KKPQBMNLGPZUMB-UHFFFAOYSA-N 0 0 332.713 2.575 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1sc(C)c(C)c1C(N)=O ZINC000000433083 471359578 /nfs/dbraw/zinc/35/95/78/471359578.db2.gz CLMOKUUPUFFABC-UHFFFAOYSA-N 0 0 334.397 2.733 50 0 EFAARN CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 ZINC000000432104 471360199 /nfs/dbraw/zinc/36/01/99/471360199.db2.gz TUEXAXXRRLPMAZ-UHFFFAOYSA-N 0 0 337.379 2.658 50 0 EFAARN CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000443834 471361740 /nfs/dbraw/zinc/36/17/40/471361740.db2.gz SVQFBXYXUUTZCS-LLVKDONJSA-N 0 0 339.233 2.574 50 0 EFAARN CCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000000454001 471362140 /nfs/dbraw/zinc/36/21/40/471362140.db2.gz UNCDBIXRIDTHBO-UHFFFAOYSA-N 0 0 337.423 2.998 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000000453902 471362339 /nfs/dbraw/zinc/36/23/39/471362339.db2.gz GUHYYRONOVVYFS-UHFFFAOYSA-N 0 0 328.393 2.908 50 0 EFAARN COc1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000000456863 471362421 /nfs/dbraw/zinc/36/24/21/471362421.db2.gz JRVTUMGBEWBQSK-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000454726 471362504 /nfs/dbraw/zinc/36/25/04/471362504.db2.gz DOZJSVQLPZMUSB-UHFFFAOYSA-N 0 0 346.452 2.871 50 0 EFAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000000454997 471362594 /nfs/dbraw/zinc/36/25/94/471362594.db2.gz MTLLZJATSXFJCT-UHFFFAOYSA-N 0 0 346.452 2.817 50 0 EFAARN COc1cccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)c1 ZINC000000455190 471362600 /nfs/dbraw/zinc/36/26/00/471362600.db2.gz ZFIJJDPVZOSOIG-UHFFFAOYSA-N 0 0 329.425 2.888 50 0 EFAARN NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000000468779 471363096 /nfs/dbraw/zinc/36/30/96/471363096.db2.gz HNODVMLDNICXRY-UHFFFAOYSA-N 0 0 333.800 2.566 50 0 EFAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)n1C ZINC000000464075 471363121 /nfs/dbraw/zinc/36/31/21/471363121.db2.gz BTFVBHPYKJJYFQ-UHFFFAOYSA-N 0 0 345.453 2.978 50 0 EFAARN NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000000460416 471363130 /nfs/dbraw/zinc/36/31/30/471363130.db2.gz QGHLVYKZHXHMCA-VQHVLOKHSA-N 0 0 347.374 2.809 50 0 EFAARN COc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 ZINC000000474685 471363889 /nfs/dbraw/zinc/36/38/89/471363889.db2.gz PTWGXESOJMANAQ-JXMROGBWSA-N 0 0 345.424 2.814 50 0 EFAARN O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000476923 471364004 /nfs/dbraw/zinc/36/40/04/471364004.db2.gz SJUNZKTXIKURQW-UHFFFAOYSA-N 0 0 338.407 2.730 50 0 EFAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000000471461 471364080 /nfs/dbraw/zinc/36/40/80/471364080.db2.gz CFHGPCQHBSIDDT-CQSZACIVSA-N 0 0 345.830 2.851 50 0 EFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1N ZINC000000470644 471364117 /nfs/dbraw/zinc/36/41/17/471364117.db2.gz QZNWCSWJOCOBJF-CHWSQXEVSA-N 0 0 345.472 2.541 50 0 EFAARN CCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)cc1 ZINC000000469897 471364307 /nfs/dbraw/zinc/36/43/07/471364307.db2.gz INAWNYQJGRFFRQ-HNNXBMFYSA-N 0 0 334.441 2.830 50 0 EFAARN COC(=O)c1ccc(COC(=O)c2ccccc2NC(C)=O)cc1 ZINC000000472253 471364313 /nfs/dbraw/zinc/36/43/13/471364313.db2.gz VDPIYVABXUXSHY-UHFFFAOYSA-N 0 0 327.336 2.789 50 0 EFAARN CCc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000000469657 471364453 /nfs/dbraw/zinc/36/44/53/471364453.db2.gz WNPWASUQSJVAPK-UHFFFAOYSA-N 0 0 346.452 2.783 50 0 EFAARN Cc1ccc(-n2nnnc2SCC(=O)NC2CCCCC2)cc1C ZINC000000470349 471364528 /nfs/dbraw/zinc/36/45/28/471364528.db2.gz LZKBCELXOXTXMZ-UHFFFAOYSA-N 0 0 345.472 2.820 50 0 EFAARN Cc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000000470723 471364640 /nfs/dbraw/zinc/36/46/40/471364640.db2.gz ZZNWGACDLCKNKN-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN COC(=O)Cc1c(C)c2ccc(O[C@H]3CCCCC3=O)cc2oc1=O ZINC000000488854 471365305 /nfs/dbraw/zinc/36/53/05/471365305.db2.gz JCVYJCPYWIJUIX-INIZCTEOSA-N 0 0 344.363 2.707 50 0 biogenic EFAARN COc1ccc(S(=O)(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000000482187 471365774 /nfs/dbraw/zinc/36/57/74/471365774.db2.gz WJNOCQAAOCLBEG-UHFFFAOYSA-N 0 0 344.392 2.762 50 0 EFAARN CC[C@@H](C)Nc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000000490805 471366566 /nfs/dbraw/zinc/36/65/66/471366566.db2.gz FRKMJDWDXPXBIU-LLVKDONJSA-N 0 0 329.400 2.694 50 0 biogenic EFAARN CC(=O)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000502462 471366615 /nfs/dbraw/zinc/36/66/15/471366615.db2.gz GMDNIXHZOYNMAW-HNNXBMFYSA-N 0 0 346.770 2.614 50 0 EFAARN Cc1nc2sc(C(N)=O)c(N)c2c(C)c1C(=O)Nc1ccccc1 ZINC000000495232 471366690 /nfs/dbraw/zinc/36/66/90/471366690.db2.gz UMAKNUAUYCUEFO-UHFFFAOYSA-N 0 0 340.408 2.847 50 0 EFAARN COc1ccc2[nH]c3c(ncn(CCc4ccc(O)cc4)c3=O)c2c1 ZINC000000525781 471367821 /nfs/dbraw/zinc/36/78/21/471367821.db2.gz FGEHWQHVVADNBM-UHFFFAOYSA-N 0 0 335.363 2.835 50 0 biogenic EFAARN COc1cc(C(=O)Nc2ccc3c(c2)ncn3C)cc(OC)c1OC ZINC000000520171 471368048 /nfs/dbraw/zinc/36/80/48/471368048.db2.gz IVDMIURLYGNWDG-UHFFFAOYSA-N 0 0 341.367 2.851 50 0 biogenic,in-vitro EFAARN COc1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000000528791 471368482 /nfs/dbraw/zinc/36/84/82/471368482.db2.gz HKCFXBSCOHNTHI-UHFFFAOYSA-N 0 0 334.235 2.632 50 0 EFAARN COc1ccc(CCNC(=O)[C@H]2OCCc3ccccc32)cc1OC ZINC000000528977 471368610 /nfs/dbraw/zinc/36/86/10/471368610.db2.gz UNAPRPDBOFYNGL-IBGZPJMESA-N 0 0 341.407 2.677 50 0 biogenic EFAARN CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccc(C)cc1C ZINC000000528029 471368744 /nfs/dbraw/zinc/36/87/44/471368744.db2.gz AHSDEPYCRFIMDS-MRXNPFEDSA-N 0 0 346.452 2.918 50 0 EFAARN COc1ccc(-c2nnc(SCc3ccccc3)n2N)cc1OC ZINC000000532768 471369102 /nfs/dbraw/zinc/36/91/02/471369102.db2.gz NMNAGKLALKEBTK-UHFFFAOYSA-N 0 0 342.424 2.968 50 0 EFAARN COC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(F)cc1 ZINC000000529091 471369160 /nfs/dbraw/zinc/36/91/60/471369160.db2.gz GKSIPEUZXCXJEO-INIZCTEOSA-N 0 0 342.395 2.929 50 0 EFAARN COc1cc(NC(=S)N2CCC(O)CC2)c(OC)cc1Cl ZINC000000542208 471369571 /nfs/dbraw/zinc/36/95/71/471369571.db2.gz XKJLUGNMBCHLJR-UHFFFAOYSA-N 0 0 330.837 2.511 50 0 EFAARN COC(CN(C)C(=O)c1c(C)onc1-c1ccccc1Cl)OC ZINC000000550329 471370421 /nfs/dbraw/zinc/37/04/21/471370421.db2.gz UCKGJMUSDOYGAU-UHFFFAOYSA-N 0 0 338.791 2.994 50 0 EFAARN COc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 ZINC000000559311 471370629 /nfs/dbraw/zinc/37/06/29/471370629.db2.gz WFOCABUUDTWFHI-UHFFFAOYSA-N 0 0 346.770 2.713 50 0 EFAARN CCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000000558493 471370667 /nfs/dbraw/zinc/37/06/67/471370667.db2.gz IDHVIZUOZDHGII-UHFFFAOYSA-N 0 0 337.423 2.998 50 0 EFAARN COc1ccc(C)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000000555102 471370966 /nfs/dbraw/zinc/37/09/66/471370966.db2.gz XFYQGAZMHQFVEI-UHFFFAOYSA-N 0 0 348.424 2.652 50 0 EFAARN Cc1ccccc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O ZINC000000566582 471371175 /nfs/dbraw/zinc/37/11/75/471371175.db2.gz VZERBZWNZGFACX-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000000559953 471371215 /nfs/dbraw/zinc/37/12/15/471371215.db2.gz QRNRUHIULHOBPC-UHFFFAOYSA-N 0 0 346.408 2.605 50 0 EFAARN COC(=O)c1cc(NC(=O)/C=C/c2ccco2)cc(C(=O)OC)c1 ZINC000000568209 471371722 /nfs/dbraw/zinc/37/17/22/471371722.db2.gz AIGVWEHBJKTPPL-AATRIKPKSA-N 0 0 329.308 2.505 50 0 EFAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CC)C2=O)cc1 ZINC000000565232 471371735 /nfs/dbraw/zinc/37/17/35/471371735.db2.gz QRORDCVKKIFDNK-HXUWFJFHSA-N 0 0 339.391 2.912 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)Nc2c(F)cccc2F)c1 ZINC000000609409 471372336 /nfs/dbraw/zinc/37/23/36/471372336.db2.gz IPTCZOWEHKGUJR-UHFFFAOYSA-N 0 0 329.324 2.783 50 0 EFAARN COc1ccc(CCNC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000000609676 471372917 /nfs/dbraw/zinc/37/29/17/471372917.db2.gz YHWAKHUTOZXYDV-UHFFFAOYSA-N 0 0 344.367 2.797 50 0 EFAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)n1 ZINC000000609416 471372983 /nfs/dbraw/zinc/37/29/83/471372983.db2.gz QCVIRQNTXOAOGJ-INIZCTEOSA-N 0 0 349.390 2.963 50 0 EFAARN CCOC(=O)C1CCN(C(=S)Nc2ccc3nccnc3c2)CC1 ZINC000000613631 471373547 /nfs/dbraw/zinc/37/35/47/471373547.db2.gz WFYVXLMRBWAITK-UHFFFAOYSA-N 0 0 344.440 2.602 50 0 EFAARN C[C@H]1CN(C(=O)c2ccc(I)cc2)C[C@H](C)O1 ZINC000000614032 471373660 /nfs/dbraw/zinc/37/36/60/471373660.db2.gz MNFOEQCBQZQOTM-UWVGGRQHSA-N 0 0 345.180 2.541 50 0 EFAARN Cc1csc(NC(=O)CSc2ncn(-c3ccccc3)n2)n1 ZINC000000613181 471374028 /nfs/dbraw/zinc/37/40/28/471374028.db2.gz XTLJFPWIEXRVRS-UHFFFAOYSA-N 0 0 331.426 2.763 50 0 EFAARN CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000620683 471374394 /nfs/dbraw/zinc/37/43/94/471374394.db2.gz QIOBAJCPLYJTDV-UHFFFAOYSA-N 0 0 340.379 2.940 50 0 EFAARN CC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 ZINC000000616305 471374543 /nfs/dbraw/zinc/37/45/43/471374543.db2.gz BLHXROJETSKSBD-UHFFFAOYSA-N 0 0 345.309 2.825 50 0 EFAARN CCC(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000000620007 471374746 /nfs/dbraw/zinc/37/47/46/471374746.db2.gz NWHUAOBBGCVASI-UHFFFAOYSA-N 0 0 348.453 2.568 50 0 EFAARN CCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)cc1C ZINC000000802711 471375584 /nfs/dbraw/zinc/37/55/84/471375584.db2.gz XGLVWJQEWKNOEZ-ZIAGYGMSSA-N 0 0 327.446 2.500 50 0 EFAARN COC[C@H](C)NC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000000814919 471375714 /nfs/dbraw/zinc/37/57/14/471375714.db2.gz WRXQIRUPNISCQU-SDBXPKJASA-N 0 0 331.199 2.638 50 0 EFAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1 ZINC000000803017 471376526 /nfs/dbraw/zinc/37/65/26/471376526.db2.gz YZJLCKNNCYVBHX-UHFFFAOYSA-N 0 0 344.436 2.878 50 0 EFAARN CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 ZINC000000905198 471377082 /nfs/dbraw/zinc/37/70/82/471377082.db2.gz UXAWEDQOIQROSP-UHFFFAOYSA-N 0 0 331.445 2.511 50 0 EFAARN COC(=O)c1sc(NC(=O)COc2ccc(C)cc2C)nc1C ZINC000000847215 471377226 /nfs/dbraw/zinc/37/72/26/471377226.db2.gz PODMGCQEPGFFLL-UHFFFAOYSA-N 0 0 334.397 2.872 50 0 EFAARN CCN(CC)C(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000000819388 471377452 /nfs/dbraw/zinc/37/74/52/471377452.db2.gz FEPPNIHINLVOBZ-MRXNPFEDSA-N 0 0 346.814 2.794 50 0 EFAARN CCc1c(C)sc(NC(=O)c2ccco2)c1C(=O)N1CCOCC1 ZINC000001054801 471379532 /nfs/dbraw/zinc/37/95/32/471379532.db2.gz PORQYYYLEXKYNY-UHFFFAOYSA-N 0 0 348.424 2.937 50 0 EFAARN Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)no2)cc1 ZINC000001059399 471379843 /nfs/dbraw/zinc/37/98/43/471379843.db2.gz DRKZBTCBPDNTGS-UHFFFAOYSA-N 0 0 328.368 2.629 50 0 EFAARN COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C1=O)C31CC1 ZINC000001024405 471380309 /nfs/dbraw/zinc/38/03/09/471380309.db2.gz HHAGHMFNIYZLBV-AZQPONJRSA-N 0 0 337.375 2.599 50 0 EFAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000001058766 471380419 /nfs/dbraw/zinc/38/04/19/471380419.db2.gz HFTYNIVJXPZMBP-UHFFFAOYSA-N 0 0 343.335 2.644 50 0 EFAARN Cc1cc(I)cnc1NC(=O)c1ccco1 ZINC000001390043 471388619 /nfs/dbraw/zinc/38/86/19/471388619.db2.gz KKXNFGWQCSFOND-UHFFFAOYSA-N 0 0 328.109 2.840 50 0 EFAARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl ZINC000001060489 471380925 /nfs/dbraw/zinc/38/09/25/471380925.db2.gz QFAZQWQCOSKELB-QMMMGPOBSA-N 0 0 327.814 2.595 50 0 EFAARN Cc1cccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000001193219 471382145 /nfs/dbraw/zinc/38/21/45/471382145.db2.gz CBHZGAXADGUGCL-KRWDZBQOSA-N 0 0 327.405 2.953 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(NC(C)=O)cc2)NC(=O)N1 ZINC000001126762 471382408 /nfs/dbraw/zinc/38/24/08/471382408.db2.gz IAPHDQTXTXQIRH-INIZCTEOSA-N 0 0 345.399 2.616 50 0 EFAARN O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(Cl)cc1 ZINC000001125417 471382456 /nfs/dbraw/zinc/38/24/56/471382456.db2.gz RITXEYILDRCMDF-UHFFFAOYSA-N 0 0 341.798 2.756 50 0 EFAARN COc1cc(NS(=O)(=O)c2ccc(F)cc2C)cc(OC)c1 ZINC000001114558 471382547 /nfs/dbraw/zinc/38/25/47/471382547.db2.gz ITGNFYNLYRYIRX-UHFFFAOYSA-N 0 0 325.361 2.952 50 0 EFAARN O=C(Cc1ccccc1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000001164185 471382865 /nfs/dbraw/zinc/38/28/65/471382865.db2.gz BUFIPPXKPUWXCZ-UHFFFAOYSA-N 0 0 336.435 2.784 50 0 EFAARN Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1CCO ZINC000001270204 471383257 /nfs/dbraw/zinc/38/32/57/471383257.db2.gz DUJVFHFNBPMQOV-UHFFFAOYSA-N 0 0 344.378 2.702 50 0 EFAARN C[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(N)=O)C(Cl)=C(Cl)Cl ZINC000001233728 471384239 /nfs/dbraw/zinc/38/42/39/471384239.db2.gz QHERVRWMFPILRD-FXQIFTODSA-N 0 0 326.607 2.871 50 0 EFAARN C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000001234740 471384247 /nfs/dbraw/zinc/38/42/47/471384247.db2.gz OUSUXRAPNSPCTF-AWEZNQCLSA-N 0 0 336.391 2.940 50 0 EFAARN COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C)cc1C)C(=O)N2 ZINC000001320662 471384998 /nfs/dbraw/zinc/38/49/98/471384998.db2.gz AYXVHZPSPYLJIW-IBGZPJMESA-N 0 0 325.364 2.725 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)CSc2cc(C)ncn2)cc1 ZINC000001286589 471385268 /nfs/dbraw/zinc/38/52/68/471385268.db2.gz GGFKZBHXBVSOPE-UHFFFAOYSA-N 0 0 331.397 2.693 50 0 EFAARN CC(=O)Nc1nnc(SCC(=O)Nc2cccc(C)c2C)s1 ZINC000001381629 471387619 /nfs/dbraw/zinc/38/76/19/471387619.db2.gz VZNLASIKPHQZIZ-UHFFFAOYSA-N 0 0 336.442 2.844 50 0 EFAARN CN(C)C(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000001391117 471388352 /nfs/dbraw/zinc/38/83/52/471388352.db2.gz CDCDILXOQPPUFG-UHFFFAOYSA-N 0 0 325.195 2.905 50 0 EFAARN O=C(Nc1nccc(-c2cccs2)n1)[C@H]1COc2ccccc2O1 ZINC000001387121 471388514 /nfs/dbraw/zinc/38/85/14/471388514.db2.gz VOLWTBRWNJEMBO-CQSZACIVSA-N 0 0 339.376 2.984 50 0 EFAARN CN1O[C@H](CC(=O)NC2CCCC2)N(c2ccc(Cl)cc2)C1=O ZINC000001394435 471388547 /nfs/dbraw/zinc/38/85/47/471388547.db2.gz OGVPMAXBWFPVOQ-OAHLLOKOSA-N 0 0 337.807 2.918 50 0 EFAARN Nc1ccccc1SCC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000001389867 471388608 /nfs/dbraw/zinc/38/86/08/471388608.db2.gz FNBXLDWDJFHIQX-UHFFFAOYSA-N 0 0 334.348 2.870 50 0 EFAARN COc1cccc(CNC(=O)C2=Cc3cccc(OC)c3OC2)c1 ZINC000001391471 471388691 /nfs/dbraw/zinc/38/86/91/471388691.db2.gz RDXLBBPBOPINSN-UHFFFAOYSA-N 0 0 325.364 2.796 50 0 EFAARN CS(=O)(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)nn1 ZINC000001397780 471388797 /nfs/dbraw/zinc/38/87/97/471388797.db2.gz GPOYYEYUVLCFHZ-UHFFFAOYSA-N 0 0 333.291 2.522 50 0 EFAARN Cc1ccc(C(=O)Nc2nc(=O)n(C(=O)c3ccccc3)s2)cc1 ZINC000001387647 471388934 /nfs/dbraw/zinc/38/89/34/471388934.db2.gz QGHTUEJBFQYKRO-UHFFFAOYSA-N 0 0 339.376 2.554 50 0 EFAARN C[C@H]1CN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@H](C)O1 ZINC000001390236 471389019 /nfs/dbraw/zinc/38/90/19/471389019.db2.gz PUCLHCHZILQJJL-QWRGUYRKSA-N 0 0 341.333 2.691 50 0 EFAARN COc1c2occc2c(OC)c(C2=NO[C@@](O)(C(F)(F)F)C2)c1O ZINC000001416772 471389744 /nfs/dbraw/zinc/38/97/44/471389744.db2.gz WDUZQOZSLQRKQX-CYBMUJFWSA-N 0 0 347.245 2.531 50 0 EFAARN CCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2N)n1 ZINC000001415827 471389825 /nfs/dbraw/zinc/38/98/25/471389825.db2.gz DOFFLOJNSVUPDL-UHFFFAOYSA-N 0 0 332.360 2.894 50 0 EFAARN COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2N)cc1 ZINC000001406876 471390006 /nfs/dbraw/zinc/39/00/06/471390006.db2.gz PUHISTDLPGNXRN-UHFFFAOYSA-N 0 0 346.437 2.799 50 0 EFAARN O=C(Cn1nc(Br)nc1Br)c1ccccc1 ZINC000001405613 471390237 /nfs/dbraw/zinc/39/02/37/471390237.db2.gz DVXLIQUFJYKXNL-UHFFFAOYSA-N 0 0 344.994 2.686 50 0 EFAARN O=C(OCC1c2ccccc2-c2ccccc21)N1CCO[C@@H](CO)C1 ZINC000001435910 471390500 /nfs/dbraw/zinc/39/05/00/471390500.db2.gz RHLNPNGKORBWJY-CQSZACIVSA-N 0 0 339.391 2.629 50 0 EFAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc4c[nH]nc4c3)cc2c1 ZINC000001427094 471390788 /nfs/dbraw/zinc/39/07/88/471390788.db2.gz MUXRWKSRISADKD-UHFFFAOYSA-N 0 0 335.319 2.930 50 0 EFAARN O=C(Nc1ccc(F)cc1)c1cc(=O)n(C2CC2)/c(=N/C2CC2)s1 ZINC000001442263 471390802 /nfs/dbraw/zinc/39/08/02/471390802.db2.gz MVRXNQDOHFSJTP-JZJYNLBNSA-N 0 0 345.399 2.699 50 0 EFAARN COc1cc(S(=O)(=O)NCc2ccccc2)c(OC)cc1Cl ZINC000001431558 471390817 /nfs/dbraw/zinc/39/08/17/471390817.db2.gz PLKVEFSHYBSDHV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/42/41/25/471424125.db2.gz UQMAGPFILIAIEM-UHFFFAOYSA-N 0 0 331.800 2.712 50 0 EFAARN COc1cc(NC(=S)N[C@H](C)c2cn(C)nc2C)cc(OC)c1 ZINC000002858307 471424664 /nfs/dbraw/zinc/42/46/64/471424664.db2.gz MQYPBXZYHMZJPI-SNVBAGLBSA-N 0 0 334.445 2.793 50 0 EFAARN CCOc1ccccc1C(=O)N(CCC(=O)OC)c1ccccn1 ZINC000002843381 471424754 /nfs/dbraw/zinc/42/47/54/471424754.db2.gz UYHOCGIOQIMWIC-UHFFFAOYSA-N 0 0 328.368 2.690 50 0 EFAARN COCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 ZINC000002846798 471424883 /nfs/dbraw/zinc/42/48/83/471424883.db2.gz SPYVUJSKUUMUCG-UHFFFAOYSA-N 0 0 342.420 2.696 50 0 EFAARN COc1cccc(OC)c1OCCCn1cnc2ccccc2c1=O ZINC000002862949 471425001 /nfs/dbraw/zinc/42/50/01/471425001.db2.gz UPOWZLANVLKDOU-UHFFFAOYSA-N 0 0 340.379 2.883 50 0 EFAARN CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1 ZINC000002865949 471425146 /nfs/dbraw/zinc/42/51/46/471425146.db2.gz QDWOCYKQFPDVOI-UHFFFAOYSA-N 0 0 342.505 2.587 50 0 EFAARN CN(C(=O)CSc1nc2ccccc2c(=O)n1C)c1ccccc1 ZINC000002863058 471425712 /nfs/dbraw/zinc/42/57/12/471425712.db2.gz GNWYSOAIPOCJEQ-UHFFFAOYSA-N 0 0 339.420 2.689 50 0 EFAARN COc1ccc(OC)c(Nc2nc3ccccc3c(NCCO)n2)c1 ZINC000002876417 471426736 /nfs/dbraw/zinc/42/67/36/471426736.db2.gz AJVRLCMAROWXQQ-UHFFFAOYSA-N 0 0 340.383 2.795 50 0 EFAARN CSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1 ZINC000002882335 471426906 /nfs/dbraw/zinc/42/69/06/471426906.db2.gz UPBRPKPWSZUCMZ-UHFFFAOYSA-N 0 0 333.851 2.678 50 0 EFAARN Cn1c(C(=O)Nc2cccc(F)c2)cc2c1nc1ccccn1c2=O ZINC000002917111 471427389 /nfs/dbraw/zinc/42/73/89/471427389.db2.gz VWTPIKADCZJMIQ-UHFFFAOYSA-N 0 0 336.326 2.578 50 0 EFAARN COc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000002891714 471427570 /nfs/dbraw/zinc/42/75/70/471427570.db2.gz IJXGDJVQMUALJL-UHFFFAOYSA-N 0 0 332.787 2.646 50 0 EFAARN CC[C@@]1(CCC(C)C)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O ZINC000002898088 471427841 /nfs/dbraw/zinc/42/78/41/471427841.db2.gz ZXCQNSJGVZQDCJ-GOSISDBHSA-N 0 0 348.374 2.877 50 0 EFAARN CCOC(=O)N(CC)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000002900746 471427883 /nfs/dbraw/zinc/42/78/83/471427883.db2.gz BRDLCWHSHREIJW-CQSZACIVSA-N 0 0 349.305 2.592 50 0 EFAARN CCOc1ccccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000002959019 471428605 /nfs/dbraw/zinc/42/86/05/471428605.db2.gz FTRQYRYRPFUFKH-UHFFFAOYSA-N 0 0 332.787 2.994 50 0 EFAARN COc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl ZINC000002927523 471428768 /nfs/dbraw/zinc/42/87/68/471428768.db2.gz LBLJZORJKZLVAW-UHFFFAOYSA-N 0 0 332.743 2.895 50 0 biogenic EFAARN CCOC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000002932432 471429367 /nfs/dbraw/zinc/42/93/67/471429367.db2.gz QWIQOUYEBMELEI-UHFFFAOYSA-N 0 0 331.199 2.908 50 0 EFAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1 ZINC000003024398 471430210 /nfs/dbraw/zinc/43/02/10/471430210.db2.gz AHVNJNQKMDURAC-CQSZACIVSA-N 0 0 341.338 2.605 50 0 EFAARN CCOc1ccc(NC(=O)C(=O)NCc2ccc(CC)cc2)cc1 ZINC000002994213 471430467 /nfs/dbraw/zinc/43/04/67/471430467.db2.gz AGLMCEFCDOVHST-UHFFFAOYSA-N 0 0 326.396 2.903 50 0 EFAARN COc1ccc(/C=C/C(=O)NCCOc2ccccc2OC)cc1 ZINC000002991713 471430831 /nfs/dbraw/zinc/43/08/31/471430831.db2.gz LAKMFTJKVYGEBL-FMIVXFBMSA-N 0 0 327.380 2.912 50 0 EFAARN O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000003073524 471431824 /nfs/dbraw/zinc/43/18/24/471431824.db2.gz ZMCTVGJSJBYIDR-UHFFFAOYSA-N 0 0 329.780 2.836 50 0 EFAARN CCOC(=O)C(C=Nc1ccc(Cl)nc1Cl)C(=O)OCC ZINC000003091401 471432024 /nfs/dbraw/zinc/43/20/24/471432024.db2.gz HAWCRNYPYOYBBF-UHFFFAOYSA-N 0 0 333.171 2.810 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000003251904 471438359 /nfs/dbraw/zinc/43/83/59/471438359.db2.gz WLQWZWODHSJZRD-UHFFFAOYSA-N 0 0 348.305 2.719 50 0 EFAARN COc1ccccc1C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000003264688 471439749 /nfs/dbraw/zinc/43/97/49/471439749.db2.gz KFENZIXVSLXGFU-UHFFFAOYSA-N 0 0 325.364 2.831 50 0 EFAARN O=C(COC(=O)c1ccccc1Br)NC1CCCC1 ZINC000003265395 471439767 /nfs/dbraw/zinc/43/97/67/471439767.db2.gz LHVJOUIUVSBWBP-UHFFFAOYSA-N 0 0 326.190 2.665 50 0 EFAARN Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)c1 ZINC000003497833 471448504 /nfs/dbraw/zinc/44/85/04/471448504.db2.gz AWVFCMCICORGQH-QGZVFWFLSA-N 0 0 341.363 2.625 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O ZINC000003507267 471449593 /nfs/dbraw/zinc/44/95/93/471449593.db2.gz MJWWXYZIMRVMDV-UHFFFAOYSA-N 0 0 343.383 2.803 50 0 EFAARN CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1OC ZINC000003684376 471454726 /nfs/dbraw/zinc/45/47/26/471454726.db2.gz VHORQKQGPLLXEW-UHFFFAOYSA-N 0 0 327.428 2.811 50 0 EFAARN CC[C@H](C)N1CC(=O)N2[C@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004061334 471458441 /nfs/dbraw/zinc/45/84/41/471458441.db2.gz FRWKGDXMHKAFBM-OZVIIMIRSA-N 0 0 325.412 2.623 50 0 biogenic EFAARN Cc1csc2ncc(C(=O)N3c4ccccc4C[C@H]3C)c(=O)n12 ZINC000004121126 471459546 /nfs/dbraw/zinc/45/95/46/471459546.db2.gz ZAMHLJLDMQADGU-SNVBAGLBSA-N 0 0 325.393 2.656 50 0 EFAARN Cc1csc2ncc(C(=O)N3CCCc4ccccc43)c(=O)n12 ZINC000004121127 471459703 /nfs/dbraw/zinc/45/97/03/471459703.db2.gz PJDWVLUTWZFGGT-UHFFFAOYSA-N 0 0 325.393 2.657 50 0 EFAARN Cc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)C[S@@](=O)C2 ZINC000004106016 471460487 /nfs/dbraw/zinc/46/04/87/471460487.db2.gz KWYQVVSEHQCCIW-HSZRJFAPSA-N 0 0 331.441 2.961 50 0 EFAARN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000004185626 471460894 /nfs/dbraw/zinc/46/08/94/471460894.db2.gz VAAAPAAXIYUDPA-AWEZNQCLSA-N 0 0 329.849 2.512 50 0 EFAARN COc1cc(C)nc(NC(=O)Nc2sc(=S)n(C)c2C)n1 ZINC000004183610 471461203 /nfs/dbraw/zinc/46/12/03/471461203.db2.gz LCMRQNWTURJYGS-UHFFFAOYSA-N 0 0 325.419 2.876 50 0 EFAARN COc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CCN(C)C3 ZINC000004592705 471469735 /nfs/dbraw/zinc/46/97/35/471469735.db2.gz LMVGVVADKVLPKC-OAHLLOKOSA-N 0 0 329.425 2.599 50 0 EFAARN COc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1 ZINC000004776707 471475235 /nfs/dbraw/zinc/47/52/35/471475235.db2.gz CHTFTULYBOLBCA-UHFFFAOYSA-N 0 0 332.787 2.508 50 0 EFAARN CCCC[C@H](CC)CNC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000004776069 471475647 /nfs/dbraw/zinc/47/56/47/471475647.db2.gz BGYPPOBKBFFJEH-HNNXBMFYSA-N 0 0 325.474 2.934 50 0 EFAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2cnccn2)C1 ZINC000004785027 471475689 /nfs/dbraw/zinc/47/56/89/471475689.db2.gz MZRGEBDFZRNVJQ-AWEZNQCLSA-N 0 0 330.819 2.663 50 0 EFAARN COc1cccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c1 ZINC000005094477 471486899 /nfs/dbraw/zinc/48/68/99/471486899.db2.gz KRDLKYIVIFSXNM-UHFFFAOYSA-N 0 0 340.423 2.731 50 0 EFAARN COc1ccc2[nH]c(C)c(C(=O)CN3CCCC[C@H]3CCO)c2c1 ZINC000005188558 471490294 /nfs/dbraw/zinc/49/02/94/471490294.db2.gz URZKWOZFQBCOKZ-AWEZNQCLSA-N 0 0 330.428 2.905 50 0 EFAARN O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)c1cccs1 ZINC000005183258 471490516 /nfs/dbraw/zinc/49/05/16/471490516.db2.gz XTLKETBLSRQYEH-UHFFFAOYSA-N 0 0 331.422 2.676 50 0 EFAARN COC(=O)[C@H](CCSC)NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000005197034 471491655 /nfs/dbraw/zinc/49/16/55/471491655.db2.gz NDVALIMQKPPEEV-CABCVRRESA-N 0 0 336.457 2.658 50 0 EFAARN COc1ccc(N2C[C@@H](NC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000005195331 471491852 /nfs/dbraw/zinc/49/18/52/471491852.db2.gz GJQDJGWFVPXZLG-AWEZNQCLSA-N 0 0 344.798 2.884 50 0 EFAARN CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 ZINC000005206927 471491911 /nfs/dbraw/zinc/49/19/11/471491911.db2.gz ACQDHKRWTAEZMY-UHFFFAOYSA-N 0 0 348.472 2.556 50 0 EFAARN Cc1c(C)c(=O)oc2cc(OCC(=O)NCc3ccncc3)ccc12 ZINC000005205292 471491958 /nfs/dbraw/zinc/49/19/58/471491958.db2.gz HZOYCGOCHKBGDA-UHFFFAOYSA-N 0 0 338.363 2.500 50 0 EFAARN Cc1ccc(N2C(=O)C[S@@](=O)[C@H](c3ccccc3)C2=O)cc1C ZINC000005218386 471492716 /nfs/dbraw/zinc/49/27/16/471492716.db2.gz WXSDOTFPNJNEDU-HXOBKFHXSA-N 0 0 327.405 2.667 50 0 EFAARN Cc1ccc(C)c(CS(=O)(=O)c2nnc([C@@H](N)CC(C)C)o2)c1 ZINC000005218904 471492945 /nfs/dbraw/zinc/49/29/45/471492945.db2.gz YIDNWALQJIHYBJ-AWEZNQCLSA-N 0 0 337.445 2.706 50 0 EFAARN CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000005252704 471494833 /nfs/dbraw/zinc/49/48/33/471494833.db2.gz AXFMHJOJYLUQLP-UHFFFAOYSA-N 0 0 331.397 2.780 50 0 EFAARN CCCCCn1c(=O)c2c(nc3n2c(C)c(C)n3C(C)C)n(C)c1=O ZINC000005251814 471495038 /nfs/dbraw/zinc/49/50/38/471495038.db2.gz GIUCGLPPZYLCNV-UHFFFAOYSA-N 0 0 345.447 2.537 50 0 EFAARN CC[C@H]1CCCCN1C(=O)Cn1cnc2ccc(Cl)cc2c1=O ZINC000005253765 471495244 /nfs/dbraw/zinc/49/52/44/471495244.db2.gz VIPHUZXOYLTNMH-ZDUSSCGKSA-N 0 0 333.819 2.841 50 0 EFAARN O=C([O-])[C@H](CC(=O)Nc1ccc2ccccc2c1)[NH2+]Cc1cccnc1 ZINC000005258874 471496180 /nfs/dbraw/zinc/49/61/80/471496180.db2.gz HWZYREONJXVZEN-SFHVURJKSA-N 0 0 349.390 2.806 50 0 EFAARN Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl ZINC000005278218 471497350 /nfs/dbraw/zinc/49/73/50/471497350.db2.gz QAJDJGIPOOXIMG-UHFFFAOYSA-N 0 0 337.788 2.619 50 0 EFAARN Cc1cc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)no1 ZINC000005270487 471497894 /nfs/dbraw/zinc/49/78/94/471497894.db2.gz MSWHPGFUGKMHPF-UHFFFAOYSA-N 0 0 327.315 2.584 50 0 EFAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000005299516 471498656 /nfs/dbraw/zinc/49/86/56/471498656.db2.gz JYSWGIRICCZTPU-UHFFFAOYSA-N 0 0 347.421 2.737 50 0 EFAARN CCCN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccccn2)C1=O ZINC000005321562 471499759 /nfs/dbraw/zinc/49/97/59/471499759.db2.gz SPEPCBRNELPTEO-GOSISDBHSA-N 0 0 344.798 2.952 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000005329440 471499884 /nfs/dbraw/zinc/49/98/84/471499884.db2.gz UWLAPRZNLFLENU-UHFFFAOYSA-N 0 0 346.408 2.623 50 0 EFAARN COc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 ZINC000005388190 471502473 /nfs/dbraw/zinc/50/24/73/471502473.db2.gz CYDKQFXHFYEJQZ-UHFFFAOYSA-N 0 0 335.363 2.558 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000005396604 471503212 /nfs/dbraw/zinc/50/32/12/471503212.db2.gz NVFNZZHKTSEDMW-UHFFFAOYSA-N 0 0 337.354 2.997 50 0 EFAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)OCc1ccccc1 ZINC000005399218 471503486 /nfs/dbraw/zinc/50/34/86/471503486.db2.gz QUHMAIOOAQEPPK-UHFFFAOYSA-N 0 0 338.338 2.793 50 0 EFAARN CCc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1 ZINC000005397333 471503765 /nfs/dbraw/zinc/50/37/65/471503765.db2.gz LXINDRBGZQCXSF-UHFFFAOYSA-N 0 0 325.412 2.532 50 0 EFAARN CN(C)c1ccc(NC(=O)CSc2n[nH]c(-c3ccco3)n2)cc1 ZINC000005422929 471504729 /nfs/dbraw/zinc/50/47/29/471504729.db2.gz GJEVGXLHIGZEJB-UHFFFAOYSA-N 0 0 343.412 2.862 50 0 EFAARN Cc1ccc(S(=O)(=O)N[C@H](C(C)C)n2nnc3ccccc32)cc1 ZINC000005415922 471504777 /nfs/dbraw/zinc/50/47/77/471504777.db2.gz SNCULINHQRYZHV-KRWDZBQOSA-N 0 0 344.440 2.873 50 0 EFAARN CC(C)CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000005438759 471506064 /nfs/dbraw/zinc/50/60/64/471506064.db2.gz XYOBKRZQFCHKFM-UHFFFAOYSA-N 0 0 344.864 2.656 50 0 EFAARN O=C(NCc1ccoc1)c1cccc2c1C(=O)N(Cc1ccncc1)C2 ZINC000005452270 471507184 /nfs/dbraw/zinc/50/71/84/471507184.db2.gz JTCPJQSXUUPXDS-UHFFFAOYSA-N 0 0 347.374 2.761 50 0 EFAARN CC(=O)c1c(COC(=O)c2cccc(C)c2)nc2ccccc2[n+]1[O-] ZINC000005477833 471508188 /nfs/dbraw/zinc/50/81/88/471508188.db2.gz LEDSXGZTDBAFED-UHFFFAOYSA-N 0 0 336.347 2.736 50 0 EFAARN CN(C)C=C1C(=O)N(c2ccc(Oc3ccccc3)cc2)C[S@@]1=O ZINC000005477508 471508617 /nfs/dbraw/zinc/50/86/17/471508617.db2.gz KVFVJZYOCRCULL-SKELBMGJSA-N 0 0 342.420 2.935 50 0 EFAARN CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 ZINC000005483790 471508631 /nfs/dbraw/zinc/50/86/31/471508631.db2.gz VKFKXDGCJAYOQR-UHFFFAOYSA-N 0 0 343.408 2.947 50 0 EFAARN COc1cccc(CNC(=O)COC(=O)Cc2ccc(Cl)cc2)c1 ZINC000005612929 471513867 /nfs/dbraw/zinc/51/38/67/471513867.db2.gz ZJIDIYQJTFHQJH-UHFFFAOYSA-N 0 0 347.798 2.751 50 0 EFAARN CCc1nnc(SCC(=O)Nc2ccc(Br)cc2)[nH]1 ZINC000005686681 471516548 /nfs/dbraw/zinc/51/65/48/471516548.db2.gz GETPSSBCXSHQJK-UHFFFAOYSA-N 0 0 341.234 2.860 50 0 EFAARN CN1C(=S)N=NC1C[S@@](=O)Cc1ccc(Cl)cc1Cl ZINC000005753491 471519874 /nfs/dbraw/zinc/51/98/74/471519874.db2.gz RJULBZBXAATBOI-LJQANCHMSA-N 0 0 336.269 2.860 50 0 EFAARN CN1C(=S)N=NC1C[S@@](=O)Cc1c(Cl)cccc1Cl ZINC000005753487 471520184 /nfs/dbraw/zinc/52/01/84/471520184.db2.gz PWCTWNFFIAVRQG-LJQANCHMSA-N 0 0 336.269 2.860 50 0 EFAARN COc1cccc(C(=S)NCS(=O)(=O)c2ccc(C)cc2)c1 ZINC000005794622 471521728 /nfs/dbraw/zinc/52/17/28/471521728.db2.gz WZVGXPQMUILICB-UHFFFAOYSA-N 0 0 335.450 2.700 50 0 EFAARN COC(=O)C[C@H]1COc2ccccc2N1C(=O)c1ccc(OC)cc1 ZINC000005879970 471524888 /nfs/dbraw/zinc/52/48/88/471524888.db2.gz FTZDBSBCCHLFCQ-AWEZNQCLSA-N 0 0 341.363 2.666 50 0 EFAARN COc1ccc(N2C(=S)N=NC2CSc2ncccn2)cc1 ZINC000005895298 471525746 /nfs/dbraw/zinc/52/57/46/471525746.db2.gz YUGRLSNLFCEOCU-UHFFFAOYSA-N 0 0 331.426 2.647 50 0 EFAARN COc1ccc(Br)cc1CNn1c(C)n[nH]c1=S ZINC000006082919 471531300 /nfs/dbraw/zinc/53/13/00/471531300.db2.gz WGPFUKAJPUNMNW-UHFFFAOYSA-N 0 0 329.223 2.764 50 0 EFAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000006221685 471535307 /nfs/dbraw/zinc/53/53/07/471535307.db2.gz FZXISVZGSHVYAF-UHFFFAOYSA-N 0 0 332.425 2.806 50 0 EFAARN COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000006256340 471537299 /nfs/dbraw/zinc/53/72/99/471537299.db2.gz IVNPAVPQEBONCG-UHFFFAOYSA-N 0 0 342.395 2.851 50 0 EFAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ncccn2)CC1 ZINC000006285443 471537936 /nfs/dbraw/zinc/53/79/36/471537936.db2.gz DTXVWBKQTZZUFG-UHFFFAOYSA-N 0 0 340.471 2.732 50 0 EFAARN Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1Br ZINC000006314771 471539131 /nfs/dbraw/zinc/53/91/31/471539131.db2.gz ZHDZWFYCXYCFNX-UHFFFAOYSA-N 0 0 341.230 2.631 50 0 EFAARN Cc1ccc(CNC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000006400628 471542756 /nfs/dbraw/zinc/54/27/56/471542756.db2.gz WCSDNSJYTUFWII-UHFFFAOYSA-N 0 0 341.480 2.897 50 0 EFAARN CC1=NN(C(=O)CSCc2ccc(F)cc2)[C@](O)(C(F)F)C1 ZINC000006394606 471542815 /nfs/dbraw/zinc/54/28/15/471542815.db2.gz GHOBHIHAVAKFLH-CQSZACIVSA-N 0 0 332.347 2.621 50 0 EFAARN COc1cccc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)c1 ZINC000006450602 471545613 /nfs/dbraw/zinc/54/56/13/471545613.db2.gz FJLOPXUFJQWEIG-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN Cc1cccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)c1 ZINC000006479022 471546902 /nfs/dbraw/zinc/54/69/02/471546902.db2.gz FWBWHHQCJHJAGW-XNTDXEJSSA-N 0 0 337.379 2.813 50 0 EFAARN CC[C@H](C(=O)N1N=C(C)C[C@]1(O)C(F)F)n1nc(C)c(Cl)c1C ZINC000006555279 471551175 /nfs/dbraw/zinc/55/11/75/471551175.db2.gz OOQRVQCRHURJSX-YGRLFVJLSA-N 0 0 348.781 2.666 50 0 EFAARN CC(=O)c1cccc(NC(=O)COC(=O)Cc2ccccc2C)c1 ZINC000006552101 471551489 /nfs/dbraw/zinc/55/14/89/471551489.db2.gz YFLFYFCZYXLHCS-UHFFFAOYSA-N 0 0 325.364 2.922 50 0 EFAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCCCc1ccco1 ZINC000006624605 471554554 /nfs/dbraw/zinc/55/45/54/471554554.db2.gz RMYIRMDCNCKTHZ-UHFFFAOYSA-N 0 0 341.363 2.692 50 0 biogenic EFAARN C[NH+]1CCN(c2cc(C(=O)[O-])nc3cc(Cl)cc(Cl)c32)CC1 ZINC000006639083 471555603 /nfs/dbraw/zinc/55/56/03/471555603.db2.gz AOPVVYDFAQDPLC-UHFFFAOYSA-N 0 0 340.210 2.992 50 0 EFAARN CCCCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000006636087 471556355 /nfs/dbraw/zinc/55/63/55/471556355.db2.gz MPIGEOWESGDMLK-UHFFFAOYSA-N 0 0 344.202 2.798 50 0 EFAARN COc1ccccc1-c1noc(CNC(=O)c2ccc(F)cc2)n1 ZINC000006660345 471557360 /nfs/dbraw/zinc/55/73/60/471557360.db2.gz VTKUAHPIESVQII-UHFFFAOYSA-N 0 0 327.315 2.814 50 0 EFAARN COc1ccc([C@H]2C[C@H](c3cccc(F)c3)n3nnnc3N2)cc1 ZINC000006662096 471557534 /nfs/dbraw/zinc/55/75/34/471557534.db2.gz DMTUOMYTWQXLJK-HZPDHXFCSA-N 0 0 325.347 2.967 50 0 EFAARN O[C@](/C=C/c1ccc(Cl)cc1)(Cn1cncn1)c1ccncc1 ZINC000006659436 471557610 /nfs/dbraw/zinc/55/76/10/471557610.db2.gz LNPLFCFWGQGYTQ-ZGRWHYIRSA-N 0 0 326.787 2.928 50 0 EFAARN COc1cccc(OC)c1OCC(=O)c1ccc2c(c1)OCCO2 ZINC000006668448 471558128 /nfs/dbraw/zinc/55/81/28/471558128.db2.gz ZOCWVAAUHPDBQO-UHFFFAOYSA-N 0 0 330.336 2.737 50 0 EFAARN COc1ccccc1OCC(=O)Nc1nonc1-c1ccc(F)cc1 ZINC000006669344 471558582 /nfs/dbraw/zinc/55/85/82/471558582.db2.gz KTPLXYSCTGQQRL-UHFFFAOYSA-N 0 0 343.314 2.902 50 0 EFAARN O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCc2ccccc2C1 ZINC000006669671 471558760 /nfs/dbraw/zinc/55/87/60/471558760.db2.gz WNBNXYDHNYHETI-UHFFFAOYSA-N 0 0 333.391 2.754 50 0 EFAARN CCCCOc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006697908 471559422 /nfs/dbraw/zinc/55/94/22/471559422.db2.gz DBEUVJJVVZQSQY-UHFFFAOYSA-N 0 0 348.424 2.765 50 0 EFAARN CC(C)COc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006697430 471559459 /nfs/dbraw/zinc/55/94/59/471559459.db2.gz SXANAPZFJTUSFX-UHFFFAOYSA-N 0 0 348.424 2.621 50 0 EFAARN C[C@@H](C(=O)Nc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000006700948 471560745 /nfs/dbraw/zinc/56/07/45/471560745.db2.gz SHVAUIMXCHYGON-LBPRGKRZSA-N 0 0 336.388 2.619 50 0 EFAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000006699284 471561130 /nfs/dbraw/zinc/56/11/30/471561130.db2.gz WJKCRMPGICZWPM-UHFFFAOYSA-N 0 0 325.368 2.769 50 0 EFAARN CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(C)c(C)c1 ZINC000006699135 471561336 /nfs/dbraw/zinc/56/13/36/471561336.db2.gz HNTZTUQQUJDFMY-LBPRGKRZSA-N 0 0 334.445 2.632 50 0 EFAARN COc1cc(S(=O)(=O)NCCc2ccccc2)c(OC)cc1C ZINC000006702322 471561348 /nfs/dbraw/zinc/56/13/48/471561348.db2.gz QOWJDARLILPWJO-UHFFFAOYSA-N 0 0 335.425 2.533 50 0 EFAARN COc1ccc2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1C ZINC000006719114 471562287 /nfs/dbraw/zinc/56/22/87/471562287.db2.gz XWFVKGNSWKBPPC-UHFFFAOYSA-N 0 0 338.363 2.995 50 0 EFAARN COc1cc(NC(=O)C2CCN(C(C)=O)CC2)c(OC)cc1Cl ZINC000006725441 471562842 /nfs/dbraw/zinc/56/28/42/471562842.db2.gz FQQITRTXXJYXJZ-UHFFFAOYSA-N 0 0 340.807 2.554 50 0 EFAARN CCOc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000006725471 471563269 /nfs/dbraw/zinc/56/32/69/471563269.db2.gz UPOHUDPCVXSZHF-UHFFFAOYSA-N 0 0 326.400 2.834 50 0 EFAARN COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000006729731 471563355 /nfs/dbraw/zinc/56/33/55/471563355.db2.gz AYIKGIZGKZZFDQ-UHFFFAOYSA-N 0 0 341.816 2.836 50 0 EFAARN CCOc1ccc([C@@H](C)NS(=O)(=O)c2cnn(CC)c2C)cc1 ZINC000006725344 471563680 /nfs/dbraw/zinc/56/36/80/471563680.db2.gz JNMNMKJSJCDKOH-GFCCVEGCSA-N 0 0 337.445 2.650 50 0 EFAARN COc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000006742655 471563891 /nfs/dbraw/zinc/56/38/91/471563891.db2.gz APTRIMFVWJAOHV-UHFFFAOYSA-N 0 0 347.845 2.897 50 0 EFAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c(C)c1 ZINC000006739353 471564015 /nfs/dbraw/zinc/56/40/15/471564015.db2.gz JKANHWPPXWFANN-UHFFFAOYSA-N 0 0 343.452 2.996 50 0 EFAARN COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccccc2F)=NO1 ZINC000006738407 471564212 /nfs/dbraw/zinc/56/42/12/471564212.db2.gz FPQAGWXSYBTLHC-MRXNPFEDSA-N 0 0 342.326 2.744 50 0 EFAARN CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1 ZINC000006742122 471564282 /nfs/dbraw/zinc/56/42/82/471564282.db2.gz WVSSQVRKNPCNSF-UHFFFAOYSA-N 0 0 346.441 2.547 50 0 EFAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000006741136 471564449 /nfs/dbraw/zinc/56/44/49/471564449.db2.gz SHRQVEQGMPFUOY-UHFFFAOYSA-N 0 0 336.413 2.871 50 0 EFAARN CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1cccc(Cl)c1 ZINC000006742096 471564664 /nfs/dbraw/zinc/56/46/64/471564664.db2.gz JPPCXDZDPFMUFN-VIFPVBQESA-N 0 0 340.836 2.669 50 0 EFAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000006744301 471565151 /nfs/dbraw/zinc/56/51/51/471565151.db2.gz ATGWKDMXQNAKEY-CYBMUJFWSA-N 0 0 327.446 2.584 50 0 EFAARN CCOc1cc(S(=O)(=O)NCc2ccco2)c(OCC)cc1C ZINC000006747052 471565260 /nfs/dbraw/zinc/56/52/60/471565260.db2.gz FZFKNWWRGJNZPU-UHFFFAOYSA-N 0 0 339.413 2.864 50 0 EFAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000006743355 471565374 /nfs/dbraw/zinc/56/53/74/471565374.db2.gz KBXQRFFCISNJKC-ZDUSSCGKSA-N 0 0 342.436 2.606 50 0 EFAARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000006743609 471565409 /nfs/dbraw/zinc/56/54/09/471565409.db2.gz CMWIMNNKLZHXND-CYBMUJFWSA-N 0 0 342.436 2.606 50 0 EFAARN CCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCOc1ccccc1 ZINC000006759642 471566606 /nfs/dbraw/zinc/56/66/06/471566606.db2.gz MABDIDNWXTXREX-IBGZPJMESA-N 0 0 338.407 2.852 50 0 EFAARN Cc1cc(=O)n2c(n1)NC(Nc1ccc(F)cc1)=N[C@@H]2c1ccco1 ZINC000006758586 471566716 /nfs/dbraw/zinc/56/67/16/471566716.db2.gz HUBNYXVAFGRTRI-HNNXBMFYSA-N 0 0 339.330 2.724 50 0 EFAARN COc1ccc(C)c2c1N(CCC(=O)c1ccc(F)cc1)C(=O)C2=O ZINC000006760296 471567016 /nfs/dbraw/zinc/56/70/16/471567016.db2.gz OBMHUMYTDDXABA-UHFFFAOYSA-N 0 0 341.338 2.945 50 0 EFAARN COc1ccc([C@H]2C[C@H](c3ccccc3F)n3nnnc3N2)cc1 ZINC000006756031 471567303 /nfs/dbraw/zinc/56/73/03/471567303.db2.gz YKWFZKGZSYKIIT-HZPDHXFCSA-N 0 0 325.347 2.967 50 0 EFAARN Cc1cc(Br)c(NC(=O)CSc2nc[nH]n2)cc1C ZINC000006760371 471567310 /nfs/dbraw/zinc/56/73/10/471567310.db2.gz ROJHTJKRNCNYPG-UHFFFAOYSA-N 0 0 341.234 2.915 50 0 EFAARN COc1ccc(NC(=O)Cn2c3ccccc3n3cccc3c2=O)cc1 ZINC000006782193 471569179 /nfs/dbraw/zinc/56/91/79/471569179.db2.gz BWFBJIFANQKABN-UHFFFAOYSA-N 0 0 347.374 2.902 50 0 EFAARN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000006780992 471569368 /nfs/dbraw/zinc/56/93/68/471569368.db2.gz XCBITDWNYGMMMX-UHFFFAOYSA-N 0 0 348.815 2.820 50 0 EFAARN CC1=NN(C(=O)CSCc2ccccc2C)[C@](O)(C(F)F)C1 ZINC000006789586 471569573 /nfs/dbraw/zinc/56/95/73/471569573.db2.gz WKJXWWUUGRZADZ-OAHLLOKOSA-N 0 0 328.384 2.790 50 0 EFAARN O=C(c1ccccc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000006810935 471571725 /nfs/dbraw/zinc/57/17/25/471571725.db2.gz XKHZXFREFCSSOT-KRWDZBQOSA-N 0 0 347.411 2.655 50 0 EFAARN O=C(c1ccccc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000006810934 471571973 /nfs/dbraw/zinc/57/19/73/471571973.db2.gz XKHZXFREFCSSOT-QGZVFWFLSA-N 0 0 347.411 2.655 50 0 EFAARN Cn1cc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cn1 ZINC000006828168 471572978 /nfs/dbraw/zinc/57/29/78/471572978.db2.gz UZLLYOICOAZYTE-UHFFFAOYSA-N 0 0 325.416 2.794 50 0 EFAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O ZINC000006876049 471575630 /nfs/dbraw/zinc/57/56/30/471575630.db2.gz RATCGRLRHXESTK-AWEZNQCLSA-N 0 0 347.418 2.871 50 0 biogenic EFAARN O=C1CSc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1 ZINC000006892731 471576666 /nfs/dbraw/zinc/57/66/66/471576666.db2.gz DWFNPBBZGJKHHK-UHFFFAOYSA-N 0 0 334.422 2.859 50 0 EFAARN COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000006916795 471577910 /nfs/dbraw/zinc/57/79/10/471577910.db2.gz ACXWWDXAFOVIOM-UHFFFAOYSA-N 0 0 333.337 2.614 50 0 EFAARN O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC1CC1 ZINC000006990815 471582545 /nfs/dbraw/zinc/58/25/45/471582545.db2.gz VXQGFHGCWJIXKM-UHFFFAOYSA-N 0 0 335.363 2.503 50 0 EFAARN CCOc1ccccc1NC(=O)COC(=O)Cc1ccccc1OC ZINC000007035192 471585503 /nfs/dbraw/zinc/58/55/03/471585503.db2.gz UTXAMUGBGHXPIR-UHFFFAOYSA-N 0 0 343.379 2.818 50 0 EFAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000007052985 471588307 /nfs/dbraw/zinc/58/83/07/471588307.db2.gz BFVSQDAURZHFLA-UHFFFAOYSA-N 0 0 335.381 2.657 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1OC ZINC000007405133 471611977 /nfs/dbraw/zinc/61/19/77/471611977.db2.gz MDDWRACVQUGOLB-UHFFFAOYSA-N 0 0 329.324 2.783 50 0 EFAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccs2)n1 ZINC000007420540 471613198 /nfs/dbraw/zinc/61/31/98/471613198.db2.gz JHELZNDPSKGHRE-UHFFFAOYSA-N 0 0 343.412 2.530 50 0 EFAARN COc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 ZINC000007440920 471613993 /nfs/dbraw/zinc/61/39/93/471613993.db2.gz TWWWZMZJIJQZDL-UHFFFAOYSA-N 0 0 343.770 2.697 50 0 EFAARN CCCN(CCC)C(=O)c1nn(-c2ccccc2)c(=O)cc1OC ZINC000007455014 471615845 /nfs/dbraw/zinc/61/58/45/471615845.db2.gz HFBFRZAELTXOSK-UHFFFAOYSA-N 0 0 329.400 2.503 50 0 EFAARN CN(C)c1cccc(-c2nn3c(nnc(-c4ccccc4)c3=O)s2)c1 ZINC000007465450 471616961 /nfs/dbraw/zinc/61/69/61/471616961.db2.gz YQYCAXFGTVAYFN-UHFFFAOYSA-N 0 0 349.419 2.946 50 0 EFAARN COc1cc(CNn2cnnc2)ccc1OCc1ccccc1F ZINC000007602398 471623960 /nfs/dbraw/zinc/62/39/60/471623960.db2.gz GDBHWMDXAQFCNI-UHFFFAOYSA-N 0 0 328.347 2.749 50 0 EFAARN COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1OC ZINC000007616143 471624289 /nfs/dbraw/zinc/62/42/89/471624289.db2.gz LFYOCZKXTODFDI-CTLVEUTNSA-N 0 0 345.439 2.871 50 0 biogenic EFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000007608589 471624377 /nfs/dbraw/zinc/62/43/77/471624377.db2.gz FMVWDNDZKQEZQW-AWEZNQCLSA-N 0 0 346.452 2.736 50 0 EFAARN Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)c(Cl)c1 ZINC000007735900 471635136 /nfs/dbraw/zinc/63/51/36/471635136.db2.gz DEBLTVQPKCCVDU-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000007985726 471653565 /nfs/dbraw/zinc/65/35/65/471653565.db2.gz FQZREVZSZZMSJS-QGZVFWFLSA-N 0 0 340.398 2.994 50 0 EFAARN COc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000008111690 471662690 /nfs/dbraw/zinc/66/26/90/471662690.db2.gz BTVWGBADWMSFJN-UHFFFAOYSA-N 0 0 331.368 2.651 50 0 EFAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)c1 ZINC000008247153 471674164 /nfs/dbraw/zinc/67/41/64/471674164.db2.gz YNDPYUUQGVQSAT-NSHDSACASA-N 0 0 345.786 2.735 50 0 EFAARN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C1 ZINC000008245893 471674281 /nfs/dbraw/zinc/67/42/81/471674281.db2.gz FXEKHTBYWVBOTI-BFYDXBDKSA-N 0 0 346.446 2.721 50 0 EFAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1F ZINC000008259575 471675277 /nfs/dbraw/zinc/67/52/77/471675277.db2.gz WHCGJXJFMVAUPN-UHFFFAOYSA-N 0 0 331.299 2.658 50 0 EFAARN CCCCN1C[C@@H](C(=O)Nc2nnc(CC(C)(C)C)s2)CC1=O ZINC000008271344 471676513 /nfs/dbraw/zinc/67/65/13/471676513.db2.gz ZDXPSFOHTUOLDW-NSHDSACASA-N 0 0 338.477 2.714 50 0 EFAARN O=C(CS(=O)(=O)c1ccc2ccccc2c1)NCc1ccccc1 ZINC000008335014 471683078 /nfs/dbraw/zinc/68/30/78/471683078.db2.gz REAKACLZKQAHFW-UHFFFAOYSA-N 0 0 339.416 2.930 50 0 EFAARN O=C(NCCCNC(=O)c1cccc(F)c1)c1cc2ccccc2[nH]1 ZINC000008404161 471686612 /nfs/dbraw/zinc/68/66/12/471686612.db2.gz QDQGOEOLFDEYIO-UHFFFAOYSA-N 0 0 339.370 2.857 50 0 EFAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000008479626 471690320 /nfs/dbraw/zinc/69/03/20/471690320.db2.gz SRHBDVFWESVSRB-KRWDZBQOSA-N 0 0 339.395 2.673 50 0 EFAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc32)n1 ZINC000008572785 471694794 /nfs/dbraw/zinc/69/47/94/471694794.db2.gz FTGAJDKQXWSSDZ-UHFFFAOYSA-N 0 0 325.393 2.962 50 0 EFAARN CCOC(=O)N1CCN(c2ncnc3c4cc(F)ccc4[nH]c32)CC1 ZINC000008666594 471697601 /nfs/dbraw/zinc/69/76/01/471697601.db2.gz VRAMQXNVVSJLFN-UHFFFAOYSA-N 0 0 343.362 2.529 50 0 EFAARN CCOC(=O)CCCSc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000008670708 471698530 /nfs/dbraw/zinc/69/85/30/471698530.db2.gz GBFAEBIXERVBSM-UHFFFAOYSA-N 0 0 338.454 2.909 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 ZINC000008715127 471699876 /nfs/dbraw/zinc/69/98/76/471699876.db2.gz SBTMCDPYGRONPI-UHFFFAOYSA-N 0 0 336.351 2.615 50 0 EFAARN CCCCCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O ZINC000008709740 471700176 /nfs/dbraw/zinc/70/01/76/471700176.db2.gz RFQYXLKXORNQRO-UHFFFAOYSA-N 0 0 346.431 2.819 50 0 EFAARN O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000008716988 471700769 /nfs/dbraw/zinc/70/07/69/471700769.db2.gz IFUKIWRFGJMUGM-UHFFFAOYSA-N 0 0 331.784 2.718 50 0 EFAARN COCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000008723155 471701437 /nfs/dbraw/zinc/70/14/37/471701437.db2.gz FGRSGJQGCJIDCM-UHFFFAOYSA-N 0 0 329.352 2.751 50 0 EFAARN COCCOc1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1 ZINC000008723165 471701730 /nfs/dbraw/zinc/70/17/30/471701730.db2.gz TVRFTXAEDVWXJG-UHFFFAOYSA-N 0 0 345.395 2.989 50 0 EFAARN Cc1nn(C)c2nc(OS(=O)(=O)c3ccc(C)cc3)cc(C)c12 ZINC000008728678 471702812 /nfs/dbraw/zinc/70/28/12/471702812.db2.gz MYXZTRSNEKWPPA-UHFFFAOYSA-N 0 0 331.397 2.661 50 0 EFAARN Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1C ZINC000009061903 471709682 /nfs/dbraw/zinc/70/96/82/471709682.db2.gz UCVGIZQRRBKRBO-UHFFFAOYSA-N 0 0 338.407 2.995 50 0 EFAARN Cc1ccc(Nc2nc(N3CCN(C)CC3)nc3nccnc32)c(C)c1 ZINC000009074706 471710417 /nfs/dbraw/zinc/71/04/17/471710417.db2.gz GXQZZGJRHXPIRU-UHFFFAOYSA-N 0 0 349.442 2.532 50 0 EFAARN C[C@@H]1CN(c2nc3nccnc3c(Nc3ccccc3)n2)C[C@@H](C)O1 ZINC000009075172 471711469 /nfs/dbraw/zinc/71/14/69/471711469.db2.gz IRSVZVOJMRZZNM-CHWSQXEVSA-N 0 0 336.399 2.777 50 0 EFAARN CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(C)cc1 ZINC000009238791 471712129 /nfs/dbraw/zinc/71/21/29/471712129.db2.gz IMJHKBNEVFHBJG-CABCVRRESA-N 0 0 345.472 2.522 50 0 EFAARN O=C1N[C@](c2ccc(F)cc2)(C(F)(F)F)C(=O)N1c1ccccn1 ZINC000009340949 471715510 /nfs/dbraw/zinc/71/55/10/471715510.db2.gz NSQWXKLIDNPSIU-AWEZNQCLSA-N 0 0 339.248 2.735 50 0 EFAARN O=C(Nc1cccc(O)c1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000009576909 471718822 /nfs/dbraw/zinc/71/88/22/471718822.db2.gz ZLKJDJOUSSXDJS-WMLDXEAASA-N 0 0 326.377 2.601 50 0 EFAARN CN1CCOc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2C1=O ZINC000009828078 471722214 /nfs/dbraw/zinc/72/22/14/471722214.db2.gz YXFDYHIXQYEJGJ-UHFFFAOYSA-N 0 0 332.306 2.682 50 0 EFAARN COc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2)cc(OC)c1O ZINC000011565663 471754040 /nfs/dbraw/zinc/75/40/40/471754040.db2.gz ZVFWENIXNYEEMC-LLVKDONJSA-N 0 0 330.336 2.838 50 0 EFAARN CCn1c2cc3c(cc2s/c1=N/C(=O)c1ccco1)OCCO3 ZINC000011612393 471755498 /nfs/dbraw/zinc/75/54/98/471755498.db2.gz YYWDELSWBXUQSL-WUKNDPDISA-N 0 0 330.365 2.828 50 0 EFAARN Cc1occc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000012056464 471763780 /nfs/dbraw/zinc/76/37/80/471763780.db2.gz ISSJHVXAUFCFNE-MRXNPFEDSA-N 0 0 340.427 2.757 50 0 EFAARN Cc1cc(N2CCOCC2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000012138993 471765855 /nfs/dbraw/zinc/76/58/55/471765855.db2.gz HOPSWRXLZCHSEO-UHFFFAOYSA-N 0 0 341.440 2.790 50 0 EFAARN CCC(=O)[C@H]1CCCN(c2nncc(-c3ccc(OC)cc3)n2)C1 ZINC000012300078 471770090 /nfs/dbraw/zinc/77/00/90/471770090.db2.gz FTYYHOSMXTYYIC-AWEZNQCLSA-N 0 0 326.400 2.743 50 0 EFAARN CCOCCn1c2ccc(F)cc2s/c1=N/C(=O)c1cc(C)no1 ZINC000012422494 471774943 /nfs/dbraw/zinc/77/49/43/471774943.db2.gz IYHVBVRRWNJHMU-FBMGVBCBSA-N 0 0 349.387 2.916 50 0 EFAARN Cc1cccc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC000012478156 471776235 /nfs/dbraw/zinc/77/62/35/471776235.db2.gz CWVZEHMISWYFKH-FQEVSTJZSA-N 0 0 342.414 2.987 50 0 EFAARN CN(Cc1ccon1)C(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012573580 471783119 /nfs/dbraw/zinc/78/31/19/471783119.db2.gz OIYLUSCQRGCDAJ-UHFFFAOYSA-N 0 0 347.378 2.740 50 0 EFAARN CC(=O)c1ccc(OCc2cc(C(=O)N3CCCCO3)no2)cc1 ZINC000012587899 471783419 /nfs/dbraw/zinc/78/34/19/471783419.db2.gz QIODKMJLEDJPJQ-UHFFFAOYSA-N 0 0 330.340 2.624 50 0 EFAARN O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)N1CCNC(=O)C1 ZINC000012578401 471784240 /nfs/dbraw/zinc/78/42/40/471784240.db2.gz OXGBRKJDNHOLGB-KRWDZBQOSA-N 0 0 342.826 2.820 50 0 EFAARN CSCC(=O)N1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000012710558 471790008 /nfs/dbraw/zinc/79/00/08/471790008.db2.gz ALSDYEPUGYBSQU-GOSISDBHSA-N 0 0 338.517 2.771 50 0 EFAARN O=C(CCC(F)(F)F)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000012705715 471790197 /nfs/dbraw/zinc/79/01/97/471790197.db2.gz ZBEFSXFNTCISKC-LLVKDONJSA-N 0 0 348.752 2.900 50 0 EFAARN CCCn1cc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c(C)n1 ZINC000012701565 471790302 /nfs/dbraw/zinc/79/03/02/471790302.db2.gz BUSZZHDCVIVXQG-HNNXBMFYSA-N 0 0 346.475 2.655 50 0 EFAARN Cc1ncsc1CCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000012744141 471793198 /nfs/dbraw/zinc/79/31/98/471793198.db2.gz VSTMGXWYZPJYGZ-INIZCTEOSA-N 0 0 330.453 2.854 50 0 EFAARN CCc1nc2sc3c(c2c(C(F)(F)F)c1C)NC(=O)CNC3=O ZINC000012860823 471801828 /nfs/dbraw/zinc/80/18/28/471801828.db2.gz KWDZCABNNTWKOX-UHFFFAOYSA-N 0 0 343.330 2.868 50 0 EFAARN O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000012865623 471801916 /nfs/dbraw/zinc/80/19/16/471801916.db2.gz MWKARCXPFGFVSW-LBPRGKRZSA-N 0 0 347.777 2.543 50 0 EFAARN CCOC(=O)N=c1[nH]c(CC(=O)N2CCc3ccccc32)cs1 ZINC000012881349 471803062 /nfs/dbraw/zinc/80/30/62/471803062.db2.gz OHSKHSSITKNZLG-UHFFFAOYSA-N 0 0 331.397 2.843 50 0 EFAARN CC[C@H](C)[C@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)OC ZINC000012902159 471803889 /nfs/dbraw/zinc/80/38/89/471803889.db2.gz BPQOOMXUVZOROA-SJCJKPOMSA-N 0 0 343.427 2.823 50 0 biogenic EFAARN O=C(Cc1ccc(F)cc1)NCc1ccccc1CN1CCOCC1 ZINC000012974165 471808790 /nfs/dbraw/zinc/80/87/90/471808790.db2.gz ORHXUHQDGSDDOX-UHFFFAOYSA-N 0 0 342.414 2.517 50 0 EFAARN CCCCNC(=O)[C@H](C)Sc1nc2c3ccccc3ncn2n1 ZINC000012981329 471809328 /nfs/dbraw/zinc/80/93/28/471809328.db2.gz ASAFXIJVUWAJST-NSHDSACASA-N 0 0 329.429 2.674 50 0 EFAARN COC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1 ZINC000013118180 471816871 /nfs/dbraw/zinc/81/68/71/471816871.db2.gz SBZRSIFDVSANPI-HNENSFHCSA-N 0 0 338.388 2.918 50 0 EFAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)n2ncnc2N1 ZINC000013123580 471817303 /nfs/dbraw/zinc/81/73/03/471817303.db2.gz FOSVTXOHOZNSFN-INIZCTEOSA-N 0 0 332.367 2.601 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)n2ncnc2N1 ZINC000013125263 471817562 /nfs/dbraw/zinc/81/75/62/471817562.db2.gz KJQNCQFLDAOLDZ-MRXNPFEDSA-N 0 0 332.367 2.601 50 0 EFAARN CCOC(=O)c1s/c(=N\C(=O)c2ccc(C)c(C)c2)n(C)c1C ZINC000013143459 471817754 /nfs/dbraw/zinc/81/77/54/471817754.db2.gz IQLLVBHAZRHUHM-ZCXUNETKSA-N 0 0 332.425 2.930 50 0 EFAARN Cn1ncc(Cl)c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013321133 471824239 /nfs/dbraw/zinc/82/42/39/471824239.db2.gz ZAKSQYLFLLLBAQ-VMPITWQZSA-N 0 0 344.846 2.545 50 0 EFAARN O=C(COc1ccc(Br)cc1Cl)Nc1nncs1 ZINC000013325395 471826682 /nfs/dbraw/zinc/82/66/82/471826682.db2.gz MGTGDQXPSDRSCI-UHFFFAOYSA-N 0 0 348.609 2.972 50 0 EFAARN COc1ccccc1N1CN(CCc2ccccc2)CNC1=S ZINC000013477980 471830367 /nfs/dbraw/zinc/83/03/67/471830367.db2.gz GIWJBXDWEIKPAK-UHFFFAOYSA-N 0 0 327.453 2.849 50 0 EFAARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccs2)NC(=S)N1 ZINC000013497299 471830974 /nfs/dbraw/zinc/83/09/74/471830974.db2.gz OTBKUZGIJRQXGG-OAHLLOKOSA-N 0 0 343.477 2.857 50 0 EFAARN COc1cc(NC(=S)N2CCC[C@H](CO)C2)c(OC)cc1Cl ZINC000013555169 471831814 /nfs/dbraw/zinc/83/18/14/471831814.db2.gz RJHFMBAXEHPOFO-JTQLQIEISA-N 0 0 344.864 2.758 50 0 EFAARN CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000013552521 471831898 /nfs/dbraw/zinc/83/18/98/471831898.db2.gz LIZJTMXWSTVDCH-MRXNPFEDSA-N 0 0 341.455 2.864 50 0 EFAARN CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccs2)NC(=S)N1 ZINC000013497300 471831920 /nfs/dbraw/zinc/83/19/20/471831920.db2.gz OTBKUZGIJRQXGG-HNNXBMFYSA-N 0 0 343.477 2.857 50 0 EFAARN CCOCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000013568872 471833751 /nfs/dbraw/zinc/83/37/51/471833751.db2.gz FRMHPSMIBRSJLF-UHFFFAOYSA-N 0 0 336.395 2.701 50 0 EFAARN O=C1OC=C2Nc3cc4c(cc3[C@@H](c3ccc(F)cc3)C12)OCO4 ZINC000013598769 471834785 /nfs/dbraw/zinc/83/47/85/471834785.db2.gz BOVAFWYGUCKIPR-MRXNPFEDSA-N 0 0 325.295 2.923 50 0 EFAARN CCCN1C(=O)COc2ccc(-c3n[nH]c(=O)c4ccccc43)cc21 ZINC000013597154 471834949 /nfs/dbraw/zinc/83/49/49/471834949.db2.gz SIADBZUEMHFNRL-UHFFFAOYSA-N 0 0 335.363 2.726 50 0 EFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000013659344 471836420 /nfs/dbraw/zinc/83/64/20/471836420.db2.gz FMNXERUXFFRVFL-CYBMUJFWSA-N 0 0 329.849 2.975 50 0 EFAARN Cc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)nn1C ZINC000013653973 471836475 /nfs/dbraw/zinc/83/64/75/471836475.db2.gz FRPMTCYACTZOQJ-UHFFFAOYSA-N 0 0 337.792 2.670 50 0 EFAARN O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1C1CCCC1 ZINC000013692405 471838140 /nfs/dbraw/zinc/83/81/40/471838140.db2.gz SVPWUPCKXXKPOY-UHFFFAOYSA-N 0 0 332.367 2.616 50 0 EFAARN CC(=O)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc21 ZINC000013697058 471838164 /nfs/dbraw/zinc/83/81/64/471838164.db2.gz GBFYYYVBAYAJBK-UHFFFAOYSA-N 0 0 344.436 2.580 50 0 EFAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N=C3Nc4ccccc4N32)c(C)c1 ZINC000013683985 471838256 /nfs/dbraw/zinc/83/82/56/471838256.db2.gz JZOPZSGLAJGSDJ-MRXNPFEDSA-N 0 0 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/nfs/dbraw/zinc/00/13/49/472001349.db2.gz APRXUFDYZRDPNV-GOSISDBHSA-N 0 0 344.455 2.665 50 0 EFAARN CC(C)(C)SCCNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000022288898 472012468 /nfs/dbraw/zinc/01/24/68/472012468.db2.gz CQYDQECKZFUCFO-UHFFFAOYSA-N 0 0 336.501 2.780 50 0 EFAARN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccccc1 ZINC000022607588 472017033 /nfs/dbraw/zinc/01/70/33/472017033.db2.gz AOHOYFXRCXEIME-LJQANCHMSA-N 0 0 345.402 2.858 50 0 biogenic EFAARN Nc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000022737914 472019183 /nfs/dbraw/zinc/01/91/83/472019183.db2.gz NNWJEHBPNRVBPN-LLVKDONJSA-N 0 0 338.433 2.715 50 0 EFAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C2CCCC2)CC1 ZINC000039975036 472026745 /nfs/dbraw/zinc/02/67/45/472026745.db2.gz DVQXJXONBOJAOE-UHFFFAOYSA-N 0 0 342.892 2.897 50 0 EFAARN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cnccc1Cl ZINC000039961259 472026778 /nfs/dbraw/zinc/02/67/78/472026778.db2.gz JBCBYFOBIDCTEV-VXGBXAGGSA-N 0 0 340.807 2.859 50 0 EFAARN FC(F)(F)Oc1ccc(CN2CCN(c3ncccn3)CC2)cc1 ZINC000023280484 472029382 /nfs/dbraw/zinc/02/93/82/472029382.db2.gz MSAXWRBLEWJPAF-UHFFFAOYSA-N 0 0 338.333 2.697 50 0 EFAARN COc1ccc(-c2cn(C3CCN(c4ncccn4)CC3)nn2)cc1 ZINC000023478808 472034206 /nfs/dbraw/zinc/03/42/06/472034206.db2.gz YZLMYQALDHOFJI-UHFFFAOYSA-N 0 0 336.399 2.585 50 0 EFAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)n1 ZINC000040513699 472035525 /nfs/dbraw/zinc/03/55/25/472035525.db2.gz KTGPQYCUQMJZSJ-GFCCVEGCSA-N 0 0 331.807 2.689 50 0 EFAARN Cc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1-c1cnn(C)c1 ZINC000023619484 472036371 /nfs/dbraw/zinc/03/63/71/472036371.db2.gz AXEDCQJOGRURIM-KRWDZBQOSA-N 0 0 335.411 2.763 50 0 EFAARN CC(C)COc1ccc(-c2cc(N)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041155851 472048415 /nfs/dbraw/zinc/04/84/15/472048415.db2.gz PBLQZPVUZOTNQH-CQSZACIVSA-N 0 0 349.456 2.527 50 0 EFAARN Cc1cc(-c2cc(N)n([C@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000041155888 472048622 /nfs/dbraw/zinc/04/86/22/472048622.db2.gz CBGOSOMDJAAORB-AWEZNQCLSA-N 0 0 349.456 2.588 50 0 EFAARN COc1ncc(CN2CCc3nc[nH]c3[C@@H]2CCc2ccccc2)cn1 ZINC000067561560 472050656 /nfs/dbraw/zinc/05/06/56/472050656.db2.gz AMBZZWZYOTTWCI-SFHVURJKSA-N 0 0 349.438 2.941 50 0 EFAARN Cc1cccnc1CN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000067642615 472063958 /nfs/dbraw/zinc/06/39/58/472063958.db2.gz KRKIAEHXBUCVAU-UHFFFAOYSA-N 0 0 327.476 2.728 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000024694354 472064187 /nfs/dbraw/zinc/06/41/87/472064187.db2.gz XEFFVYJVKPKBSV-UHFFFAOYSA-N 0 0 343.818 2.970 50 0 EFAARN COc1cccc(C[C@@]2(CO)CCCN(c3nc(C)ncc3C)C2)c1 ZINC000067650133 472066915 /nfs/dbraw/zinc/06/69/15/472066915.db2.gz WYEJMJRDYGPOAY-FQEVSTJZSA-N 0 0 341.455 2.924 50 0 EFAARN C[C@@]1(C(=O)NCc2cccs2)Oc2ccc(Cl)cc2NC1=O ZINC000041549349 472068588 /nfs/dbraw/zinc/06/85/88/472068588.db2.gz XZPGQFJQGXLDCF-HNNXBMFYSA-N 0 0 336.800 2.808 50 0 EFAARN COc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1F ZINC000024973624 472074864 /nfs/dbraw/zinc/07/48/64/472074864.db2.gz FTVXXINBKWLUAK-ZDUSSCGKSA-N 0 0 333.359 2.797 50 0 EFAARN Nc1nccc(NCc2cccnc2N2CCc3ccccc3C2)n1 ZINC000067726416 472079837 /nfs/dbraw/zinc/07/98/37/472079837.db2.gz BKLHHZXLSLGZTK-UHFFFAOYSA-N 0 0 332.411 2.629 50 0 EFAARN Nc1cc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)ncn1 ZINC000067885277 472104296 /nfs/dbraw/zinc/10/42/96/472104296.db2.gz XFAAGPKETKMRCA-UHFFFAOYSA-N 0 0 327.775 2.930 50 0 EFAARN COc1ccc2c(c1)C(C)(C)C(C)=[N+]2CCCCS(=O)(=O)[O-] ZINC000025757037 472110830 /nfs/dbraw/zinc/11/08/30/472110830.db2.gz PVYCRNUCAJPUFN-UHFFFAOYSA-O 0 0 326.438 2.759 50 0 EFAARN COc1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1Cl ZINC000042157628 472119752 /nfs/dbraw/zinc/11/97/52/472119752.db2.gz YRMNICLPRUQFDJ-UHFFFAOYSA-N 0 0 326.805 2.564 50 0 EFAARN COc1ccccc1CC(=O)N(CCO)Cc1ccc(SC)cc1 ZINC000055054238 472134794 /nfs/dbraw/zinc/13/47/94/472134794.db2.gz NUHYBTISLYMOJG-UHFFFAOYSA-N 0 0 345.464 2.981 50 0 EFAARN Cc1cc(C)c(C)c(C(=O)N2CCN(CCn3ccnc3)CC2)c1C ZINC000055054663 472135070 /nfs/dbraw/zinc/13/50/70/472135070.db2.gz QYIDKKOVUKADFT-UHFFFAOYSA-N 0 0 340.471 2.575 50 0 EFAARN CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 ZINC000026569963 472143282 /nfs/dbraw/zinc/14/32/82/472143282.db2.gz WSRBYZQPHZZVEE-ZDUSSCGKSA-N 0 0 344.440 2.649 50 0 EFAARN COc1cccc([C@@H]2c3cc4c(cc3NC3=COC(=O)C32)OCO4)c1 ZINC000026850732 472151412 /nfs/dbraw/zinc/15/14/12/472151412.db2.gz ITFVAYNZPIYQFC-QGZVFWFLSA-N 0 0 337.331 2.792 50 0 EFAARN COc1cccc([C@H]2c3cc4c(cc3NC3=COC(=O)C32)OCO4)c1 ZINC000026850727 472151693 /nfs/dbraw/zinc/15/16/93/472151693.db2.gz ITFVAYNZPIYQFC-KRWDZBQOSA-N 0 0 337.331 2.792 50 0 EFAARN CCC1(CNC(=O)N2CCCN(C(=O)c3ccco3)CC2)CCC1 ZINC000084165928 472152023 /nfs/dbraw/zinc/15/20/23/472152023.db2.gz LDGHJHBEZGVFGG-UHFFFAOYSA-N 0 0 333.432 2.717 50 0 EFAARN Cc1ccc(CN(C(=O)CN2CCC[C@H](c3cc[nH]n3)C2)C2CC2)o1 ZINC000084195411 472155339 /nfs/dbraw/zinc/15/53/39/472155339.db2.gz ZTUPRCQUFSCROZ-HNNXBMFYSA-N 0 0 342.443 2.682 50 0 EFAARN Cc1nc([C@@H]2CCCN2CCS(=O)(=O)c2cc(C)ccc2C)no1 ZINC000075573181 472158887 /nfs/dbraw/zinc/15/88/87/472158887.db2.gz KAWKUXBTJCDWSB-HNNXBMFYSA-N 0 0 349.456 2.606 50 0 EFAARN Cc1nc([C@H]2CCCN2CC(=O)N2CCC[C@@H]2c2cccs2)no1 ZINC000075573067 472159656 /nfs/dbraw/zinc/15/96/56/472159656.db2.gz LDKZJZCYOZPKMR-ZIAGYGMSSA-N 0 0 346.456 2.940 50 0 EFAARN COc1cccc(SCC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000027661789 472190013 /nfs/dbraw/zinc/19/00/13/472190013.db2.gz WJOLINXNQPHBHN-CQSZACIVSA-N 0 0 345.420 2.744 50 0 EFAARN COc1ccc(CCNc2nn3cnnc3c3ccccc32)cc1OC ZINC000027794730 472196468 /nfs/dbraw/zinc/19/64/68/472196468.db2.gz AVOSBMHMNNQFKN-UHFFFAOYSA-N 0 0 349.394 2.949 50 0 EFAARN C[C@H]([C@@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O ZINC000043135890 472202725 /nfs/dbraw/zinc/20/27/25/472202725.db2.gz NEYMFDJFZULCQI-DIFFPNOSSA-N 0 0 326.327 2.937 50 0 EFAARN CCSc1ncc(Br)c(C(=O)Nc2cccnc2)n1 ZINC000028291211 472221988 /nfs/dbraw/zinc/22/19/88/472221988.db2.gz GMTJTBKCMBPDSM-UHFFFAOYSA-N 0 0 339.218 2.998 50 0 EFAARN COc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000028404918 472223759 /nfs/dbraw/zinc/22/37/59/472223759.db2.gz PEGLQDHFTBTCTC-INIZCTEOSA-N 0 0 338.407 2.991 50 0 EFAARN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 ZINC000028403891 472224668 /nfs/dbraw/zinc/22/46/68/472224668.db2.gz AVBHQUWZJCLSNZ-CQSZACIVSA-N 0 0 342.370 2.822 50 0 EFAARN Cc1cccc(CSc2nnc(Nc3ccccc3)c(=O)n2N)c1 ZINC000028535768 472229475 /nfs/dbraw/zinc/22/94/75/472229475.db2.gz KVVDBULBIQPPPR-UHFFFAOYSA-N 0 0 339.424 2.696 50 0 EFAARN O=C(NC[C@@H](Cc1cccc(F)c1)n1cccc1)c1ccc[nH]c1=O ZINC000085467821 472250195 /nfs/dbraw/zinc/25/01/95/472250195.db2.gz YQQVOVICADRSMH-MRXNPFEDSA-N 0 0 339.370 2.529 50 0 EFAARN CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)oc3C)cc12 ZINC000085471539 472252349 /nfs/dbraw/zinc/25/23/49/472252349.db2.gz HLKWLTIRONBPJW-UHFFFAOYSA-N 0 0 327.340 2.973 50 0 EFAARN Cc1cc(C)n(-c2nc(CCNC(=O)Cc3cccs3)cs2)n1 ZINC000085473509 472253485 /nfs/dbraw/zinc/25/34/85/472253485.db2.gz WPNDRLBSVGEGME-UHFFFAOYSA-N 0 0 346.481 2.909 50 0 EFAARN O=C([C@@H]1CCc2ccccc2C1)N1CCC(CN2CCCC2=O)CC1 ZINC000085479229 472254736 /nfs/dbraw/zinc/25/47/36/472254736.db2.gz CSNUIGTXBIQWPE-LJQANCHMSA-N 0 0 340.467 2.653 50 0 EFAARN O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1ccccc1 ZINC000085555100 472256671 /nfs/dbraw/zinc/25/66/71/472256671.db2.gz VSJPNOQCDQNXID-UHFFFAOYSA-N 0 0 341.436 2.919 50 0 EFAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)Nc1ccccc1F ZINC000085561113 472257395 /nfs/dbraw/zinc/25/73/95/472257395.db2.gz WHMYYKCAYLWJCT-AWEZNQCLSA-N 0 0 332.331 2.800 50 0 EFAARN CSc1ccccc1C(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000085560845 472257508 /nfs/dbraw/zinc/25/75/08/472257508.db2.gz XGYXOFKUDKCOFT-CQSZACIVSA-N 0 0 345.420 2.991 50 0 EFAARN O=C(NC[C@]1(O)CCc2ccccc2C1)c1nc2ccccc2s1 ZINC000085559974 472257663 /nfs/dbraw/zinc/25/76/63/472257663.db2.gz ZPKQBXPHDQHQRA-IBGZPJMESA-N 0 0 338.432 2.946 50 0 EFAARN O=C(NC[C@@]1(O)CCc2ccccc2C1)c1nc2ccccc2s1 ZINC000085559971 472257756 /nfs/dbraw/zinc/25/77/56/472257756.db2.gz ZPKQBXPHDQHQRA-LJQANCHMSA-N 0 0 338.432 2.946 50 0 EFAARN Cc1cc([C@@H](O)CCNS(=O)(=O)/C=C/c2ccccc2)c(C)o1 ZINC000085561772 472258507 /nfs/dbraw/zinc/25/85/07/472258507.db2.gz XUJYALKWHJZZRZ-KAMXEHQASA-N 0 0 335.425 2.910 50 0 EFAARN Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000085594545 472259836 /nfs/dbraw/zinc/25/98/36/472259836.db2.gz UYVXZMOFVXGMKR-GJZGRUSLSA-N 0 0 326.396 2.583 50 0 EFAARN COC(=O)CC[C@@H]1O[C@H](c2ccccc2)OC[C@H]1OC(=O)SC ZINC000043763589 472260738 /nfs/dbraw/zinc/26/07/38/472260738.db2.gz DNLIELQPQCNKAD-GZBFAFLISA-N 0 0 340.397 2.922 50 0 EFAARN Cc1cc(C)cc(CSc2ncc(CN3CCOCC3)c(=O)[nH]2)c1 ZINC000043804348 472264630 /nfs/dbraw/zinc/26/46/30/472264630.db2.gz NOTMJAOFYBFYTM-UHFFFAOYSA-N 0 0 345.468 2.511 50 0 EFAARN O=C(CCCNc1ncccn1)N1CCc2c3ccccc3[nH]c2C1 ZINC000085876429 472269516 /nfs/dbraw/zinc/26/95/16/472269516.db2.gz KGRQOLRUYNGOQG-UHFFFAOYSA-N 0 0 335.411 2.735 50 0 biogenic EFAARN Cc1cc(C)nc(NCCC(=O)N2CCc3c4ccccc4[nH]c3C2)n1 ZINC000085876175 472270235 /nfs/dbraw/zinc/27/02/35/472270235.db2.gz IKYNUKNHZYGZPW-UHFFFAOYSA-N 0 0 349.438 2.962 50 0 biogenic EFAARN CC(=O)Nc1nc(CC(=O)Nc2nc(-c3ccco3)cs2)cs1 ZINC000044174686 472287798 /nfs/dbraw/zinc/28/77/98/472287798.db2.gz MZAXHFOADAFSHF-UHFFFAOYSA-N 0 0 348.409 2.999 50 0 EFAARN CCCc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)[nH]n1 ZINC000044220912 472290390 /nfs/dbraw/zinc/29/03/90/472290390.db2.gz DCKZDICPEZXXAS-UHFFFAOYSA-N 0 0 340.427 2.528 50 0 EFAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccccc1Oc1ccccc1 ZINC000044456429 472308241 /nfs/dbraw/zinc/30/82/41/472308241.db2.gz WBUPYNINMSOAFZ-CQSZACIVSA-N 0 0 345.420 2.643 50 0 EFAARN COCCOc1cccc(NC(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 ZINC000076333157 472322933 /nfs/dbraw/zinc/32/29/33/472322933.db2.gz JUQIJZGEXNNKLU-AWEZNQCLSA-N 0 0 346.431 2.735 50 0 EFAARN CC(=O)c1ccc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000044676288 472331196 /nfs/dbraw/zinc/33/11/96/472331196.db2.gz ADJLZFSHGHHWJI-UHFFFAOYSA-N 0 0 348.443 2.821 50 0 EFAARN C[C@@H](C(=O)NCCc1cn2ccccc2n1)n1cnc2ccccc21 ZINC000030558703 472339774 /nfs/dbraw/zinc/33/97/74/472339774.db2.gz VUEQFMPLHPRVCD-AWEZNQCLSA-N 0 0 333.395 2.604 50 0 EFAARN O=C(NO[C@H]1CCCCO1)c1ccc(OCc2ccccc2)nc1 ZINC000069439765 472343162 /nfs/dbraw/zinc/34/31/62/472343162.db2.gz BFPZLZYLMWNZLV-KRWDZBQOSA-N 0 0 328.368 2.849 50 0 EFAARN COc1ccc(C(=O)Nc2cccc(CCC(=O)N(C)C)c2)cc1 ZINC000030765883 472348196 /nfs/dbraw/zinc/34/81/96/472348196.db2.gz GCPRDYBRWWYEGO-UHFFFAOYSA-N 0 0 326.396 2.968 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)NCCc1nc2ccccc2s1 ZINC000044892758 472348180 /nfs/dbraw/zinc/34/81/80/472348180.db2.gz ZDMZKUSWVAOUTP-UHFFFAOYSA-N 0 0 342.468 2.938 50 0 EFAARN COCc1nc2cc(NC(=O)Cc3ccc(OC)cc3)ccc2[nH]1 ZINC000044893379 472348814 /nfs/dbraw/zinc/34/88/14/472348814.db2.gz KOOTWXXFVXFJDY-UHFFFAOYSA-N 0 0 325.368 2.899 50 0 EFAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1 ZINC000030831905 472349661 /nfs/dbraw/zinc/34/96/61/472349661.db2.gz JOCVKTICZCCSMU-UHFFFAOYSA-N 0 0 344.367 2.545 50 0 EFAARN O=C(Cn1ncc2ccccc2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000030811557 472349689 /nfs/dbraw/zinc/34/96/89/472349689.db2.gz OKRFONFFXNUBDC-UHFFFAOYSA-N 0 0 345.402 2.712 50 0 EFAARN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1N1CCCC1=O ZINC000044903741 472350375 /nfs/dbraw/zinc/35/03/75/472350375.db2.gz BNLAOZLJBHVHKP-UHFFFAOYSA-N 0 0 344.436 2.600 50 0 EFAARN Cc1c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)ccn1C ZINC000044900854 472350840 /nfs/dbraw/zinc/35/08/40/472350840.db2.gz WHTHTCNCSVUXBQ-UHFFFAOYSA-N 0 0 340.301 2.730 50 0 EFAARN CSc1cccc(NC(=O)CSc2ccc3nnc(C)n3n2)c1 ZINC000044917458 472353108 /nfs/dbraw/zinc/35/31/08/472353108.db2.gz SCYHCWBBASYDDG-UHFFFAOYSA-N 0 0 345.453 2.885 50 0 EFAARN COCc1nc2cc(NC(=O)Cc3ccccc3OC)ccc2[nH]1 ZINC000044918808 472353713 /nfs/dbraw/zinc/35/37/13/472353713.db2.gz BCDHNTWRXYVUAN-UHFFFAOYSA-N 0 0 325.368 2.899 50 0 EFAARN CC[C@@H](C)NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955074 472355644 /nfs/dbraw/zinc/35/56/44/472355644.db2.gz PDUNTBOSAQKMND-CQSZACIVSA-N 0 0 342.443 2.863 50 0 EFAARN COc1ccc2[nH]c(C)c(C(=O)CN3CCC4(CC3)OCCO4)c2c1 ZINC000057063760 472379653 /nfs/dbraw/zinc/37/96/53/472379653.db2.gz LBCIKTJCBPKTHH-UHFFFAOYSA-N 0 0 344.411 2.507 50 0 EFAARN CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)CC1=O ZINC000096685051 472392450 /nfs/dbraw/zinc/39/24/50/472392450.db2.gz KBTHVGHAUVREEL-AWEZNQCLSA-N 0 0 329.444 2.872 50 0 EFAARN Cc1cccc(C(C)C)c1NC(=O)CSc1[nH]c(=O)nnc1C ZINC000031773880 472393317 /nfs/dbraw/zinc/39/33/17/472393317.db2.gz MPVFDPVFUPBVTQ-UHFFFAOYSA-N 0 0 332.429 2.636 50 0 EFAARN COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000045382641 472401340 /nfs/dbraw/zinc/40/13/40/472401340.db2.gz DXJGRDHYHODAGN-NSHDSACASA-N 0 0 329.352 2.924 50 0 EFAARN COc1ccc(-c2csc3nc(SCC(N)=O)nc(N)c23)cc1 ZINC000032074818 472411607 /nfs/dbraw/zinc/41/16/07/472411607.db2.gz ZBWDOPYQSYQQQK-UHFFFAOYSA-N 0 0 346.437 2.527 50 0 EFAARN COc1cccc2ccn(CC(=O)N3CCN(c4ccccc4)CC3)c21 ZINC000032091539 472414041 /nfs/dbraw/zinc/41/40/41/472414041.db2.gz MLZIPWYOPLFWHZ-UHFFFAOYSA-N 0 0 349.434 2.999 50 0 EFAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000032101159 472415892 /nfs/dbraw/zinc/41/58/92/472415892.db2.gz GCYXTRFZTYZXBS-HNNXBMFYSA-N 0 0 345.765 2.888 50 0 EFAARN O=C(Nc1ccc2cc[nH]c2c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000032102973 472416060 /nfs/dbraw/zinc/41/60/60/472416060.db2.gz XJQPWAJIHCYVEO-KRWDZBQOSA-N 0 0 332.367 2.577 50 0 EFAARN COc1ccccc1-n1cnc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000032103412 472416386 /nfs/dbraw/zinc/41/63/86/472416386.db2.gz JWKWPDFFFFNHIG-UHFFFAOYSA-N 0 0 337.379 2.533 50 0 EFAARN CC(=O)c1cn(CC(=O)NC[C@@H](O)c2ccccc2)c2ccccc12 ZINC000032103390 472416537 /nfs/dbraw/zinc/41/65/37/472416537.db2.gz BYTCNZFEAKFGEH-LJQANCHMSA-N 0 0 336.391 2.694 50 0 EFAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)n1cnnn1 ZINC000032102125 472416550 /nfs/dbraw/zinc/41/65/50/472416550.db2.gz AZQBWSQZEXIQGF-CQSZACIVSA-N 0 0 347.300 2.920 50 0 EFAARN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000069743798 472417492 /nfs/dbraw/zinc/41/74/92/472417492.db2.gz WNIHAFRVTXASBN-CZUORRHYSA-N 0 0 344.459 2.571 50 0 EFAARN CSC1=N[C@H](NCCCO)c2c3c(sc2N1)COC(C)(C)C3 ZINC000032307906 472422566 /nfs/dbraw/zinc/42/25/66/472422566.db2.gz PEOVEFUTTKNYHF-LBPRGKRZSA-N 0 0 341.502 2.524 50 0 EFAARN CCCC(=O)NCC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000069776034 472428416 /nfs/dbraw/zinc/42/84/16/472428416.db2.gz LWKDYTRCQDAMIL-WCQYABFASA-N 0 0 328.334 2.594 50 0 EFAARN CCCn1c(SCC(=O)N[C@@H](C)CC)nc2ccsc2c1=O ZINC000057425139 472432678 /nfs/dbraw/zinc/43/26/78/472432678.db2.gz RDKJNDXIPOJIQT-JTQLQIEISA-N 0 0 339.486 2.875 50 0 EFAARN Cc1cccc2c1ncn([C@H](C)c1nc(-c3cccnc3)no1)c2=O ZINC000032558418 472443192 /nfs/dbraw/zinc/44/31/92/472443192.db2.gz RWLXMPDJRNYONR-GFCCVEGCSA-N 0 0 333.351 2.759 50 0 EFAARN Cc1cccc2c1ncn([C@@H](C)c1nc(-c3cccnc3)no1)c2=O ZINC000032558417 472443891 /nfs/dbraw/zinc/44/38/91/472443891.db2.gz RWLXMPDJRNYONR-LBPRGKRZSA-N 0 0 333.351 2.759 50 0 EFAARN CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc2nonc21 ZINC000032578716 472444294 /nfs/dbraw/zinc/44/42/94/472444294.db2.gz RKCNGCNWNCMBRU-LLVKDONJSA-N 0 0 347.396 2.661 50 0 EFAARN CN(C)c1nc(Cl)c(CN(Cc2nccn2C)C2CC2)s1 ZINC000097098772 472444406 /nfs/dbraw/zinc/44/44/06/472444406.db2.gz PJOZGLXVDSMGME-UHFFFAOYSA-N 0 0 325.869 2.761 50 0 EFAARN COCCOc1ccccc1NC(=O)NCCc1nc(C)cs1 ZINC000057485052 472444529 /nfs/dbraw/zinc/44/45/29/472444529.db2.gz YPJHLOMZGKMOLD-UHFFFAOYSA-N 0 0 335.429 2.841 50 0 EFAARN O=C(COc1ccc(F)cc1)NCCc1nc(-c2ccccc2)no1 ZINC000032593588 472444661 /nfs/dbraw/zinc/44/46/61/472444661.db2.gz SCGRDGMTPDRBOX-UHFFFAOYSA-N 0 0 341.342 2.613 50 0 EFAARN CSc1nsc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)n1 ZINC000032593909 472444812 /nfs/dbraw/zinc/44/48/12/472444812.db2.gz XSIHKBCNASDDEP-UHFFFAOYSA-N 0 0 333.394 2.927 50 0 EFAARN O=C1CN(c2ncnc3sccc32)CCN1Cc1cccc(F)c1 ZINC000032592893 472445805 /nfs/dbraw/zinc/44/58/05/472445805.db2.gz WVKJJOCXSPUHBN-UHFFFAOYSA-N 0 0 342.399 2.679 50 0 EFAARN CC(C)(C)OC(=O)n1ccc2c1nc(N1CCOCC1)nc2Cl ZINC000077011579 472446363 /nfs/dbraw/zinc/44/63/63/472446363.db2.gz WXGLJIHPWSSLLQ-UHFFFAOYSA-N 0 0 338.795 2.705 50 0 EFAARN CCCCN(CC)C(=O)Cn1c(SC)nc2ccsc2c1=O ZINC000057504884 472446742 /nfs/dbraw/zinc/44/67/42/472446742.db2.gz KPLJFDMATFFIPQ-UHFFFAOYSA-N 0 0 339.486 2.829 50 0 EFAARN CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)Cn1nnc2ccccc21 ZINC000032602858 472447116 /nfs/dbraw/zinc/44/71/16/472447116.db2.gz FUGSGULHNZRVAD-ZDUSSCGKSA-N 0 0 332.404 2.805 50 0 EFAARN Cc1cc2nc(SCC(=O)Nc3ccccc3C)[nH]c(=O)c2[nH]1 ZINC000057520903 472447300 /nfs/dbraw/zinc/44/73/00/472447300.db2.gz VPPHBVKGSRZRDF-UHFFFAOYSA-N 0 0 328.397 2.599 50 0 EFAARN Cc1cc(=O)n(CC(=O)N2CCCC[C@@H]2C)c(-c2ccc(F)cc2)n1 ZINC000057522271 472448304 /nfs/dbraw/zinc/44/83/04/472448304.db2.gz NAIQNJSUVRXAHH-AWEZNQCLSA-N 0 0 343.402 2.759 50 0 EFAARN O=C1CSc2sc3c(ncn(CCc4cccs4)c3=O)c2N1 ZINC000032624515 472448837 /nfs/dbraw/zinc/44/88/37/472448837.db2.gz ALEOTPZDMOFWFB-UHFFFAOYSA-N 0 0 349.462 2.806 50 0 EFAARN COC(=O)CSc1nc2nccc(-c3ccccc3Cl)n2n1 ZINC000057531035 472449261 /nfs/dbraw/zinc/44/92/61/472449261.db2.gz ABLYKNZQECKUIA-UHFFFAOYSA-N 0 0 334.788 2.710 50 0 EFAARN Cc1cc(=O)n(CC(=O)N2CCCCC2)c(-c2cccc(Cl)c2)n1 ZINC000057526940 472449557 /nfs/dbraw/zinc/44/95/57/472449557.db2.gz CDKIHCPXYFLHNC-UHFFFAOYSA-N 0 0 345.830 2.885 50 0 EFAARN COc1cc(F)ccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000032646458 472449702 /nfs/dbraw/zinc/44/97/02/472449702.db2.gz YUDBJVMSNOQSJX-QGZVFWFLSA-N 0 0 349.745 2.900 50 0 EFAARN COc1ccccc1NC(=O)Cn1c(=O)cc(C)nc1-c1ccccc1 ZINC000057526287 472449742 /nfs/dbraw/zinc/44/97/42/472449742.db2.gz HRVBLFYTBIDGET-UHFFFAOYSA-N 0 0 349.390 2.866 50 0 EFAARN Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1ccco1 ZINC000077111727 472453456 /nfs/dbraw/zinc/45/34/56/472453456.db2.gz HTCNKYRTKNIDPE-GFCCVEGCSA-N 0 0 329.805 2.643 50 0 EFAARN COc1ccccc1COc1cc(NC(=O)NC(C)(C)C)ncn1 ZINC000077199855 472471593 /nfs/dbraw/zinc/47/15/93/472471593.db2.gz JKGFFLZJFZEPKE-UHFFFAOYSA-N 0 0 330.388 2.984 50 0 EFAARN CCCN1C[C@H](NC(=O)Nc2cc(F)cc(F)c2Cl)CC1=O ZINC000097173293 472472595 /nfs/dbraw/zinc/47/25/95/472472595.db2.gz CYAYXBCVUFUHBF-SECBINFHSA-N 0 0 331.750 2.751 50 0 EFAARN CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000097173074 472472785 /nfs/dbraw/zinc/47/27/85/472472785.db2.gz DJIWSNBWULEWMW-WMLDXEAASA-N 0 0 326.396 2.824 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1c(C)[nH]c3ccc(F)cc31)C2 ZINC000097198288 472474211 /nfs/dbraw/zinc/47/42/11/472474211.db2.gz ATOWAIXJOFYGCS-CQSZACIVSA-N 0 0 340.402 2.794 50 0 EFAARN Cc1csc([C@H]2CN(c3cc(C(C)C)nc4ncnn43)CCO2)n1 ZINC000097199297 472474628 /nfs/dbraw/zinc/47/46/28/472474628.db2.gz AJFJEHGWKIWCKK-CYBMUJFWSA-N 0 0 344.444 2.591 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1)C2 ZINC000097198884 472475324 /nfs/dbraw/zinc/47/53/24/472475324.db2.gz AEQRSYNEHRUCED-OAHLLOKOSA-N 0 0 336.395 2.900 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1COc3ccc(Cl)cc3C1)C2 ZINC000097198532 472475484 /nfs/dbraw/zinc/47/54/84/472475484.db2.gz ZOUKIZIZEZLROP-UKRRQHHQSA-N 0 0 345.830 2.527 50 0 EFAARN CCc1nnc2n1C[C@H](NC(=O)Cc1coc3cc(C)ccc13)CC2 ZINC000097198999 472475845 /nfs/dbraw/zinc/47/58/45/472475845.db2.gz JZQLUXZIFRTTJL-CQSZACIVSA-N 0 0 338.411 2.569 50 0 EFAARN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@H](CNc2ccccn2)C1 ZINC000097200568 472477870 /nfs/dbraw/zinc/47/78/70/472477870.db2.gz QAKVHLOUCSFIGE-HUUCEWRRSA-N 0 0 349.438 2.813 50 0 EFAARN CC(C)c1cc(NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)on1 ZINC000097200632 472478135 /nfs/dbraw/zinc/47/81/35/472478135.db2.gz JQESAMWFMGWIGU-AWEZNQCLSA-N 0 0 343.431 2.566 50 0 EFAARN c1csc([C@H]2CN(Cc3nnc(-c4ccccc4)o3)CCO2)n1 ZINC000097203912 472480544 /nfs/dbraw/zinc/48/05/44/472480544.db2.gz ALWAVQQBCHDAMP-CYBMUJFWSA-N 0 0 328.397 2.767 50 0 EFAARN Cc1nc2ccccc2n(CC(=O)NCc2cccc(Cl)c2)c1=O ZINC000032974576 472486100 /nfs/dbraw/zinc/48/61/00/472486100.db2.gz KUZGPPLBRBERKD-UHFFFAOYSA-N 0 0 341.798 2.675 50 0 EFAARN Cn1c2ccccc2cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1=O ZINC000097244218 472487004 /nfs/dbraw/zinc/48/70/04/472487004.db2.gz LUKUZFNBDKVJCA-MRXNPFEDSA-N 0 0 328.412 2.758 50 0 EFAARN CCS[C@H](C)C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 ZINC000077287797 472494284 /nfs/dbraw/zinc/49/42/84/472494284.db2.gz GKZBWINBFMMGPM-OAHLLOKOSA-N 0 0 334.485 2.616 50 0 EFAARN COc1cccc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1 ZINC000077303871 472496549 /nfs/dbraw/zinc/49/65/49/472496549.db2.gz SMSYETLYFAEJFG-SFHVURJKSA-N 0 0 338.407 2.850 50 0 EFAARN O=C(Cc1ccc(O)cc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077300215 472497007 /nfs/dbraw/zinc/49/70/07/472497007.db2.gz RDMUWGCHKPXALR-FQEVSTJZSA-N 0 0 339.435 2.777 50 0 EFAARN O=C(c1c[nH]c(=O)cc1O)N1CCCC[C@@H]1CCc1cccs1 ZINC000077301169 472497284 /nfs/dbraw/zinc/49/72/84/472497284.db2.gz NVOZRLMATVKILL-GFCCVEGCSA-N 0 0 332.425 2.770 50 0 EFAARN Cc1cc(C)n(-c2ccc(C(=O)N3CC(n4nc(C)cc4C)C3)cc2)n1 ZINC000077303906 472497476 /nfs/dbraw/zinc/49/74/76/472497476.db2.gz HSWLPHQQJLYPRA-UHFFFAOYSA-N 0 0 349.438 3.000 50 0 EFAARN CCCN(C/C=C/c1ccccc1)C(=O)[C@H]1CCCCn2nnnc21 ZINC000097475541 472498381 /nfs/dbraw/zinc/49/83/81/472498381.db2.gz KJADASDHOGTYRF-YRYLYKBFSA-N 0 0 339.443 2.893 50 0 EFAARN COCc1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)[nH]n1 ZINC000097480045 472498456 /nfs/dbraw/zinc/49/84/56/472498456.db2.gz MNVSHNLYDHJILL-UHFFFAOYSA-N 0 0 343.383 2.892 50 0 EFAARN Cc1ccc(-c2ccc(C(=O)N(CCO)Cc3nccn3C)cc2)o1 ZINC000097532325 472499548 /nfs/dbraw/zinc/49/95/48/472499548.db2.gz DQEXSYHGZIHPNK-UHFFFAOYSA-N 0 0 339.395 2.623 50 0 EFAARN CCCn1ccnc1CNC(=O)CCc1nc(-c2ccccc2)no1 ZINC000077319453 472502452 /nfs/dbraw/zinc/50/24/52/472502452.db2.gz KIMGCEJZRZPZAA-UHFFFAOYSA-N 0 0 339.399 2.592 50 0 EFAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 ZINC000077321937 472502930 /nfs/dbraw/zinc/50/29/30/472502930.db2.gz YFBPKFISPQKGIL-QGZVFWFLSA-N 0 0 342.443 2.684 50 0 EFAARN Cc1noc(C)c1CC(=O)N1CCCN(c2ccccc2C)CC1 ZINC000077322672 472503358 /nfs/dbraw/zinc/50/33/58/472503358.db2.gz JAGAALLAOKWFPP-UHFFFAOYSA-N 0 0 327.428 2.881 50 0 EFAARN O=C(C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCCCC1 ZINC000077322292 472503916 /nfs/dbraw/zinc/50/39/16/472503916.db2.gz QVCDNLPVOXRQNK-UHFFFAOYSA-N 0 0 340.427 2.966 50 0 EFAARN CC(C)c1noc([C@H]2CCCN2S(=O)(=O)c2ccsc2)n1 ZINC000077322975 472504029 /nfs/dbraw/zinc/50/40/29/472504029.db2.gz LOANTJUEWIAVGF-LLVKDONJSA-N 0 0 327.431 2.780 50 0 EFAARN Cc1nc(C)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)s1 ZINC000097742622 472506622 /nfs/dbraw/zinc/50/66/22/472506622.db2.gz KNEHRKHHOAZSGX-OAHLLOKOSA-N 0 0 339.424 2.666 50 0 EFAARN CCNc1ncc(C(=O)N2CCC(Oc3cccc(C)c3)CC2)cn1 ZINC000077343705 472507096 /nfs/dbraw/zinc/50/70/96/472507096.db2.gz LCDYUQHZWYBTDV-UHFFFAOYSA-N 0 0 340.427 2.900 50 0 EFAARN Cc1nnc(CN2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)o1 ZINC000077339881 472507816 /nfs/dbraw/zinc/50/78/16/472507816.db2.gz APLAMINHXAYOMB-GOSISDBHSA-N 0 0 334.464 2.629 50 0 EFAARN Cn1cc(Cl)c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 ZINC000077341626 472507996 /nfs/dbraw/zinc/50/79/96/472507996.db2.gz ZLLFNFUNKIBEMO-INIZCTEOSA-N 0 0 347.846 2.529 50 0 EFAARN CCN(C[C@@H]1CCCO1)C(=O)c1cnc(Nc2ccccc2)nc1 ZINC000097797793 472508287 /nfs/dbraw/zinc/50/82/87/472508287.db2.gz JVIIRGKHODSKGB-INIZCTEOSA-N 0 0 326.400 2.861 50 0 EFAARN CC1(C)Oc2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O ZINC000046088452 472510257 /nfs/dbraw/zinc/51/02/57/472510257.db2.gz UPCTYABPVBIXBM-UHFFFAOYSA-N 0 0 332.381 2.597 50 0 EFAARN O=C(CNC(=O)c1ccccc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000077356400 472510777 /nfs/dbraw/zinc/51/07/77/472510777.db2.gz BALIVOYXLZCVHA-INIZCTEOSA-N 0 0 326.371 2.572 50 0 EFAARN Cc1nccn1CCC(=O)N1CCC(Oc2ccccc2C)CC1 ZINC000077377032 472514998 /nfs/dbraw/zinc/51/49/98/472514998.db2.gz JMJHDCXHPRCUQK-UHFFFAOYSA-N 0 0 327.428 2.960 50 0 EFAARN CCN1CC2(CCN(C(=O)C3(c4ccccc4F)CC3)CC2)OC1=O ZINC000077375100 472515009 /nfs/dbraw/zinc/51/50/09/472515009.db2.gz QSZYWASZWTZPOI-UHFFFAOYSA-N 0 0 346.402 2.691 50 0 EFAARN COc1ccc2c(c1)[nH]cc(C(=O)N1CCc3ccccc3C1)c2=O ZINC000058193309 472515245 /nfs/dbraw/zinc/51/52/45/472515245.db2.gz RBVNTMJZGLMVIO-UHFFFAOYSA-N 0 0 334.375 2.735 50 0 biogenic EFAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@H]1COc2ccccc2O1 ZINC000077375591 472515652 /nfs/dbraw/zinc/51/56/52/472515652.db2.gz RENVCANBYFSJCC-LJQANCHMSA-N 0 0 349.390 2.671 50 0 EFAARN COc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)nc(N)nc2C)c1 ZINC000077378365 472516129 /nfs/dbraw/zinc/51/61/29/472516129.db2.gz SYFPLWHLEZHAEG-KRWDZBQOSA-N 0 0 340.427 2.590 50 0 EFAARN COc1ccc(OCCS(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000070877802 472519694 /nfs/dbraw/zinc/51/96/94/472519694.db2.gz AAIJHRHJDJVLKW-UHFFFAOYSA-N 0 0 347.436 2.857 50 0 EFAARN CC(C)Cc1cc(-c2nccn2-c2ccc3c(c2)oc(=O)n3C)n[nH]1 ZINC000077392097 472519999 /nfs/dbraw/zinc/51/99/99/472519999.db2.gz SUOZWVCIKHGMHF-UHFFFAOYSA-N 0 0 337.383 2.906 50 0 EFAARN CCCC(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 ZINC000077406828 472521843 /nfs/dbraw/zinc/52/18/43/472521843.db2.gz YGOHXQRIXZZMPC-UHFFFAOYSA-N 0 0 345.491 2.715 50 0 EFAARN Cc1nn(C)cc1C(=O)Nc1nn(C)c2cccc(OC(C)C)c12 ZINC000077408257 472522922 /nfs/dbraw/zinc/52/29/22/472522922.db2.gz KFGKSUXKBOTPGK-UHFFFAOYSA-N 0 0 327.388 2.655 50 0 EFAARN Cc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077407221 472522979 /nfs/dbraw/zinc/52/29/79/472522979.db2.gz JAGBJGLPCRCWNJ-LJQANCHMSA-N 0 0 347.459 2.874 50 0 EFAARN Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)C(C)(C)C)CC1 ZINC000077406919 472522986 /nfs/dbraw/zinc/52/29/86/472522986.db2.gz UXPIEVQKPSYXBH-UHFFFAOYSA-N 0 0 347.507 2.553 50 0 EFAARN Cc1noc2ncnc(N3CCC([C@@H](O)Cc4ccccc4)CC3)c12 ZINC000077422427 472525368 /nfs/dbraw/zinc/52/53/68/472525368.db2.gz MXKMPWPBFLAAKE-INIZCTEOSA-N 0 0 338.411 2.746 50 0 EFAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000077424481 472525606 /nfs/dbraw/zinc/52/56/06/472525606.db2.gz XOMVNAKVWWRZGS-INIZCTEOSA-N 0 0 346.475 2.930 50 0 EFAARN Cc1nc[nH]c1C(=O)N1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077423411 472525781 /nfs/dbraw/zinc/52/57/81/472525781.db2.gz NHCXQROLLFEINQ-IBGZPJMESA-N 0 0 344.459 2.506 50 0 EFAARN O=C(CCn1ccnc1-c1ccc2c(c1)OCO2)Nc1nccs1 ZINC000077424051 472526159 /nfs/dbraw/zinc/52/61/59/472526159.db2.gz JGWUGQNBKAHVNW-UHFFFAOYSA-N 0 0 342.380 2.764 50 0 EFAARN O=C(/C=C/c1ccsc1)NCC1CCN(c2cnccn2)CC1 ZINC000070930674 472526206 /nfs/dbraw/zinc/52/62/06/472526206.db2.gz GTZYLRZXNNTMOU-OWOJBTEDSA-N 0 0 328.441 2.584 50 0 EFAARN CCn1c(N)nc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)cnc21 ZINC000077425995 472526321 /nfs/dbraw/zinc/52/63/21/472526321.db2.gz ALSJYZMAONARSA-UHFFFAOYSA-N 0 0 339.443 2.732 50 0 EFAARN Cc1cc(C(=O)N2CCC3(CNC(=O)C3)CC2)c(-c2ccccc2)o1 ZINC000077440300 472527737 /nfs/dbraw/zinc/52/77/37/472527737.db2.gz ACBSKANDHPLJHG-UHFFFAOYSA-N 0 0 338.407 2.997 50 0 EFAARN O=C(CCCn1cccn1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077439218 472527917 /nfs/dbraw/zinc/52/79/17/472527917.db2.gz SRFNOFCFEWWGPX-IBGZPJMESA-N 0 0 341.455 2.506 50 0 EFAARN O=C(NC[C@](O)(c1ccccc1)C1CC1)c1cc2ccccc2oc1=O ZINC000070966770 472529376 /nfs/dbraw/zinc/52/93/76/472529376.db2.gz AHMFNENDRIHPSF-NRFANRHFSA-N 0 0 349.386 2.821 50 0 EFAARN CCc1c(C)nc(C)nc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000077454790 472529722 /nfs/dbraw/zinc/52/97/22/472529722.db2.gz WJKWVONGNATDAQ-UHFFFAOYSA-N 0 0 330.476 2.885 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)CCn2ccc(C)n2)CC1 ZINC000077455788 472529882 /nfs/dbraw/zinc/52/98/82/472529882.db2.gz KNVUVXSJDQKBQU-UHFFFAOYSA-N 0 0 343.427 2.660 50 0 EFAARN Cc1nc(NC(=O)[C@@H](C)N2CCC(c3cc[nH]n3)CC2)sc1C ZINC000058266141 472529869 /nfs/dbraw/zinc/52/98/69/472529869.db2.gz DFCNGKJQCNDECM-LLVKDONJSA-N 0 0 333.461 2.690 50 0 EFAARN CCc1c[nH]nc1C1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000077456420 472530298 /nfs/dbraw/zinc/53/02/98/472530298.db2.gz YNWKPYJBBSLVAW-UHFFFAOYSA-N 0 0 327.428 2.929 50 0 EFAARN CC1(C)OCC2(CN(C(=O)c3cc(-c4ccccc4)on3)C2)CO1 ZINC000070971845 472530414 /nfs/dbraw/zinc/53/04/14/472530414.db2.gz RRXCRACLWAQQOP-UHFFFAOYSA-N 0 0 328.368 2.567 50 0 EFAARN CCn1ccc(C(=O)N2CCC(Oc3ccccc3OC)CC2)n1 ZINC000077453885 472530480 /nfs/dbraw/zinc/53/04/80/472530480.db2.gz PEWLNUGTWQHQMX-UHFFFAOYSA-N 0 0 329.400 2.595 50 0 EFAARN CCCOC(=O)N1CCC(c2nnc(CN3CCCC3)n2CC)CC1 ZINC000077458331 472530797 /nfs/dbraw/zinc/53/07/97/472530797.db2.gz AEPNLAVUWMRKBC-UHFFFAOYSA-N 0 0 349.479 2.620 50 0 EFAARN CCc1nnc(SCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)[nH]1 ZINC000077460090 472530817 /nfs/dbraw/zinc/53/08/17/472530817.db2.gz KSRCWMLSAHIZCY-GFCCVEGCSA-N 0 0 334.420 2.614 50 0 EFAARN C[C@H]1CCc2[nH]nc(C(=O)N(C)Cc3cccc(-n4cccn4)c3)c2C1 ZINC000077459377 472531070 /nfs/dbraw/zinc/53/10/70/472531070.db2.gz XOOPJSZOHBPVRY-AWEZNQCLSA-N 0 0 349.438 2.992 50 0 EFAARN CC(=O)N[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1c1ccc(C)cc1 ZINC000077457444 472531254 /nfs/dbraw/zinc/53/12/54/472531254.db2.gz HRILOQFSSWVKNN-ZWKOTPCHSA-N 0 0 326.396 2.641 50 0 EFAARN CC(C)c1ccc(OCC(=O)N2CC3(C2)COC(C)(C)OC3)cc1 ZINC000070971707 472531212 /nfs/dbraw/zinc/53/12/12/472531212.db2.gz UQLSAWCHKSLDCD-UHFFFAOYSA-N 0 0 333.428 2.800 50 0 EFAARN Cc1cc(C)c2nc(C)cc(C(=O)N[C@H]3CCC(=O)N(C)C3)c2c1 ZINC000077469940 472532255 /nfs/dbraw/zinc/53/22/55/472532255.db2.gz SCATZZZJRWKRRL-AWEZNQCLSA-N 0 0 325.412 2.511 50 0 EFAARN Cc1nc2cc(C(=O)N3CCCN(Cc4cccnc4)CC3)ccc2[nH]1 ZINC000077471019 472532366 /nfs/dbraw/zinc/53/23/66/472532366.db2.gz RIOLTOWRMJOKOY-UHFFFAOYSA-N 0 0 349.438 2.614 50 0 EFAARN CC(=O)N[C@@H]1CN(C(=O)CCc2ccc(C)c(C)c2)C[C@H]1C(C)C ZINC000077471162 472532622 /nfs/dbraw/zinc/53/26/22/472532622.db2.gz GDDKCWSQCPYABR-RBUKOAKNSA-N 0 0 330.472 2.855 50 0 EFAARN CCN(Cc1ccc(C)o1)C(=O)c1cnc2c(c1)nc(N)n2CC ZINC000077470613 472532674 /nfs/dbraw/zinc/53/26/74/472532674.db2.gz WVVXQUKBYZNIQT-UHFFFAOYSA-N 0 0 327.388 2.597 50 0 EFAARN Cc1n[nH]c(CCC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1C ZINC000077487350 472535682 /nfs/dbraw/zinc/53/56/82/472535682.db2.gz FQFIGCKPAVMGQS-KRWDZBQOSA-N 0 0 342.443 2.562 50 0 EFAARN O=C(c1cnc2sccn2c1=O)N1CC[C@H](c2ccccc2F)C1 ZINC000077486968 472536323 /nfs/dbraw/zinc/53/63/23/472536323.db2.gz JWJLXTOKCYNARS-NSHDSACASA-N 0 0 343.383 2.525 50 0 EFAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)CCn1cc(Cl)cn1 ZINC000077487137 472536785 /nfs/dbraw/zinc/53/67/85/472536785.db2.gz LTMYRKFENCEYBG-UHFFFAOYSA-N 0 0 343.818 2.771 50 0 EFAARN CCCOc1ccccc1C(=O)N1CCC2(CN(C)C(=O)O2)CC1 ZINC000077488681 472537375 /nfs/dbraw/zinc/53/73/75/472537375.db2.gz VYGKBJGWVKUGAF-UHFFFAOYSA-N 0 0 332.400 2.532 50 0 EFAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)Cc1cc(F)cc(F)c1 ZINC000077489111 472537444 /nfs/dbraw/zinc/53/74/44/472537444.db2.gz XCOZXXOIOSVRIC-HNNXBMFYSA-N 0 0 325.355 2.842 50 0 EFAARN CC(C)CN1CCN(Cc2c[nH]c3cc(=O)ccc-3c2)[C@H](C)C1=O ZINC000077487537 472538135 /nfs/dbraw/zinc/53/81/35/472538135.db2.gz QLTIKSXQBPYSGH-CQSZACIVSA-N 0 0 327.428 2.629 50 0 EFAARN NC(=O)c1csc(N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000077504657 472541355 /nfs/dbraw/zinc/54/13/55/472541355.db2.gz NIGRDIVYHKGOPX-UHFFFAOYSA-N 0 0 345.403 2.641 50 0 EFAARN COc1ccc(OC)c([C@H]2CCN(C(=O)Cc3cccnc3)C2)c1 ZINC000077506156 472542300 /nfs/dbraw/zinc/54/23/00/472542300.db2.gz RBGKJCQRZMADEA-HNNXBMFYSA-N 0 0 326.396 2.657 50 0 EFAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ncc(F)cc1F ZINC000077516515 472544798 /nfs/dbraw/zinc/54/47/98/472544798.db2.gz CALMOXHQPPNUEA-UHFFFAOYSA-N 0 0 328.322 2.818 50 0 EFAARN CNc1nc(C)c(C(=O)N2CCC[C@H](OCc3cccnc3)C2)s1 ZINC000077516633 472544970 /nfs/dbraw/zinc/54/49/70/472544970.db2.gz HLOZXCBZQBDGPP-AWEZNQCLSA-N 0 0 346.456 2.710 50 0 EFAARN Cc1nnnn1-c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000071283249 472545865 /nfs/dbraw/zinc/54/58/65/472545865.db2.gz LDPDRYSWADJWMX-AWEZNQCLSA-N 0 0 335.411 2.722 50 0 EFAARN CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3cccnc3)C2)no1 ZINC000077521427 472545928 /nfs/dbraw/zinc/54/59/28/472545928.db2.gz XYSAUZNBAVHTOW-CQSZACIVSA-N 0 0 327.384 2.928 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000077523352 472546046 /nfs/dbraw/zinc/54/60/46/472546046.db2.gz KLPYMFZDPBJQNV-UHFFFAOYSA-N 0 0 344.411 2.913 50 0 EFAARN Cc1nc(CCn2ccnc2[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000077519483 472546353 /nfs/dbraw/zinc/54/63/53/472546353.db2.gz NZAALUZGOCIQGY-LBPRGKRZSA-N 0 0 340.383 2.892 50 0 EFAARN CCn1cc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)c(C)n1 ZINC000071283183 472546315 /nfs/dbraw/zinc/54/63/15/472546315.db2.gz CYLVXEUDQIEDIT-LBPRGKRZSA-N 0 0 329.404 2.940 50 0 EFAARN CCN(CC)Cc1nnc2sc(COc3cccc(OC)c3)nn12 ZINC000071260567 472546420 /nfs/dbraw/zinc/54/64/20/472546420.db2.gz ZRCGSTMXJQSICB-UHFFFAOYSA-N 0 0 347.444 2.615 50 0 EFAARN O=C(NC[C@@H]1OCCc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000077518886 472546424 /nfs/dbraw/zinc/54/64/24/472546424.db2.gz ZBOIIUWEABHJFE-IBGZPJMESA-N 0 0 333.391 2.916 50 0 EFAARN COc1ccc(F)c(F)c1CN1CCN(CC(C)C)C(=O)[C@H]1C ZINC000077519424 472546539 /nfs/dbraw/zinc/54/65/39/472546539.db2.gz FOKNMTDOPFQMMO-GFCCVEGCSA-N 0 0 326.387 2.662 50 0 EFAARN CC(=O)c1cn(CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000071288819 472547199 /nfs/dbraw/zinc/54/71/99/472547199.db2.gz DUCSKZOPCMRKEA-CQSZACIVSA-N 0 0 328.412 2.918 50 0 EFAARN Cn1cc(-c2nn3c(Cc4ccccc4Cl)nnc3s2)cn1 ZINC000071287617 472547297 /nfs/dbraw/zinc/54/72/97/472547297.db2.gz DHKKVWJBNWOUAW-UHFFFAOYSA-N 0 0 330.804 2.831 50 0 EFAARN O=C(CCSc1ccc2nncn2n1)Nc1ccc2[nH]ccc2c1 ZINC000071287934 472547339 /nfs/dbraw/zinc/54/73/39/472547339.db2.gz BROMTDLEYFOJGO-UHFFFAOYSA-N 0 0 338.396 2.727 50 0 EFAARN Cc1[nH]nc(-c2nn3c(nnc3C(C)C)s2)c1Br ZINC000071284782 472548028 /nfs/dbraw/zinc/54/80/28/472548028.db2.gz HKDAFBUYVZPVHV-UHFFFAOYSA-N 0 0 327.211 2.770 50 0 EFAARN CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)C(C)(C)C)C2 ZINC000071416305 472549800 /nfs/dbraw/zinc/54/98/00/472549800.db2.gz LHSTVWCZIMTGRV-UHFFFAOYSA-N 0 0 339.443 2.535 50 0 EFAARN Cc1nc(C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc(=O)[nH]1 ZINC000077539191 472550308 /nfs/dbraw/zinc/55/03/08/472550308.db2.gz NYVKPAHAOYSBMS-UHFFFAOYSA-N 0 0 347.422 2.919 50 0 EFAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1(Cn2cccn2)CC1 ZINC000071415815 472550448 /nfs/dbraw/zinc/55/04/48/472550448.db2.gz IJJBTILAFKLECP-UHFFFAOYSA-N 0 0 326.375 2.942 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)c2nn(C)cc2Cl)CC1 ZINC000077541296 472551259 /nfs/dbraw/zinc/55/12/59/472551259.db2.gz QEBDZVUQIDAQOW-UHFFFAOYSA-N 0 0 349.818 2.766 50 0 EFAARN O=C(CCN1CCO[C@H](C(F)(F)F)C1)N1CCCc2ccccc21 ZINC000071661280 472554696 /nfs/dbraw/zinc/55/46/96/472554696.db2.gz WCFDUUGIHSZLNX-HNNXBMFYSA-N 0 0 342.361 2.619 50 0 EFAARN CC(C)CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCO1 ZINC000071707990 472554772 /nfs/dbraw/zinc/55/47/72/472554772.db2.gz DXYFIXVCILSGQP-CYBMUJFWSA-N 0 0 326.824 2.696 50 0 EFAARN Cn1ncc(N2CCC(CNc3ccc4ccccc4n3)CC2)cc1=O ZINC000077554175 472554844 /nfs/dbraw/zinc/55/48/44/472554844.db2.gz CUJVNQJYHGQDLT-UHFFFAOYSA-N 0 0 349.438 2.657 50 0 EFAARN Cc1cc(-n2cccn2)ccc1-c1nccn1[C@H](C)Cn1cncn1 ZINC000071661920 472555315 /nfs/dbraw/zinc/55/53/15/472555315.db2.gz 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/nfs/dbraw/zinc/55/68/82/472556882.db2.gz HCYNWYBIWIUSQF-UHFFFAOYSA-N 0 0 332.469 2.701 50 0 EFAARN Cc1ccccc1SCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046421320 472556969 /nfs/dbraw/zinc/55/69/69/472556969.db2.gz KNSGRERIXJOQGJ-OAHLLOKOSA-N 0 0 342.468 2.662 50 0 EFAARN O=C(NCc1ccc2c(c1)OCCCO2)c1cccc(-n2cccn2)c1 ZINC000077566004 472557292 /nfs/dbraw/zinc/55/72/92/472557292.db2.gz UJABMWSACQAMQH-UHFFFAOYSA-N 0 0 349.390 2.964 50 0 EFAARN Cc1cc(C)n(C2CN(c3nccc(CCC(F)(F)F)n3)C2)n1 ZINC000071746191 472557697 /nfs/dbraw/zinc/55/76/97/472557697.db2.gz XVIUJOZRBKIJAR-UHFFFAOYSA-N 0 0 325.338 2.846 50 0 EFAARN COc1ncc(-c2nccn2[C@@H](Cn2cccn2)c2ccccc2)cn1 ZINC000071749567 472557871 /nfs/dbraw/zinc/55/78/71/472557871.db2.gz XFSGGVDVWIFVMH-KRWDZBQOSA-N 0 0 346.394 2.835 50 0 EFAARN Cc1ccc(-c2ccnc(NCCCc3nnc(N)s3)n2)c(C)n1 ZINC000071751019 472558622 /nfs/dbraw/zinc/55/86/22/472558622.db2.gz ABBSVPZDZUZGKL-UHFFFAOYSA-N 0 0 341.444 2.634 50 0 EFAARN CC(=O)Nc1ccsc1C(=O)N1CC[C@@H](n2nc(C)cc2C)C1 ZINC000071752203 472559591 /nfs/dbraw/zinc/55/95/91/472559591.db2.gz CAKZFDRDXDLYPC-CYBMUJFWSA-N 0 0 332.429 2.607 50 0 EFAARN COCCN1C[C@@H](Cn2ccnc2-c2ccccc2SC)CC1=O ZINC000071753314 472560061 /nfs/dbraw/zinc/56/00/61/472560061.db2.gz MUBKHFJVYMLALM-AWEZNQCLSA-N 0 0 345.468 2.767 50 0 EFAARN CC[C@@H]1CN(C(=O)c2ncoc2C)CCC(=O)N1Cc1ccccc1 ZINC000071755190 472560308 /nfs/dbraw/zinc/56/03/08/472560308.db2.gz GSJVROBOJXPOHN-MRXNPFEDSA-N 0 0 341.411 2.636 50 0 EFAARN O=S1(=O)CC[C@@H](Cn2ccnc2-c2cc(-c3ccccc3)no2)C1 ZINC000071752756 472560678 /nfs/dbraw/zinc/56/06/78/472560678.db2.gz UNDRXLKXJCWSBB-ZDUSSCGKSA-N 0 0 343.408 2.640 50 0 EFAARN CC(=O)Nc1ccsc1C(=O)NCc1nn(C)c2ccc(C)cc12 ZINC000071759677 472561122 /nfs/dbraw/zinc/56/11/22/472561122.db2.gz XLKQFWFBXISYNY-UHFFFAOYSA-N 0 0 342.424 2.832 50 0 EFAARN Cc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000071759557 472561733 /nfs/dbraw/zinc/56/17/33/472561733.db2.gz ZDSBTYGWQJWZMD-OAHLLOKOSA-N 0 0 343.402 2.702 50 0 EFAARN CC[C@@H]1CN(C(=O)c2cc(C)c[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071759571 472562000 /nfs/dbraw/zinc/56/20/00/472562000.db2.gz MVTQGRRCGFPGCT-QGZVFWFLSA-N 0 0 339.439 2.976 50 0 EFAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(c3nccc(N)n3)C2)cc1C ZINC000071759649 472562150 /nfs/dbraw/zinc/56/21/50/472562150.db2.gz XOKSIXJIKVQPLY-CQSZACIVSA-N 0 0 340.427 2.784 50 0 EFAARN Cc1ccnc([C@@H](NC(=O)c2ccccc2-n2cncn2)C2CC2)c1 ZINC000071759609 472562177 /nfs/dbraw/zinc/56/21/77/472562177.db2.gz MWEXFRLZSSKQJO-SFHVURJKSA-N 0 0 333.395 2.852 50 0 EFAARN COc1ccc(CSc2nc3cc(F)ccc3c(=O)n2N)cc1F ZINC000071768824 472562746 /nfs/dbraw/zinc/56/27/46/472562746.db2.gz CLQGYONLONVXGR-UHFFFAOYSA-N 0 0 349.362 2.689 50 0 EFAARN CC(C)(CN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000071764699 472563265 /nfs/dbraw/zinc/56/32/65/472563265.db2.gz UVKUMFZYNOFDAQ-QGZVFWFLSA-N 0 0 338.879 2.824 50 0 EFAARN C/C=C/Cc1nnc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000071775527 472564479 /nfs/dbraw/zinc/56/44/79/472564479.db2.gz 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472631025 /nfs/dbraw/zinc/63/10/25/472631025.db2.gz HPZAECHVPOLEBG-UHFFFAOYSA-N 0 0 326.404 2.893 50 0 EFAARN CN1C[C@]2(CCCN(c3noc(-c4ccccc4)n3)CC2)OC1=O ZINC000072149154 472632156 /nfs/dbraw/zinc/63/21/56/472632156.db2.gz VRFAPITWDOVCRN-QGZVFWFLSA-N 0 0 328.372 2.548 50 0 EFAARN CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)cn1 ZINC000072138989 472632433 /nfs/dbraw/zinc/63/24/33/472632433.db2.gz DDXZQQWDXWINBR-INIZCTEOSA-N 0 0 337.420 2.958 50 0 EFAARN CCc1nc2c(cnn2C)c(N[C@@H](Cn2ccnc2)C(C)(C)C)n1 ZINC000072163200 472632769 /nfs/dbraw/zinc/63/27/69/472632769.db2.gz BUVQGHKHXNCDPO-ZDUSSCGKSA-N 0 0 327.436 2.649 50 0 EFAARN CCOc1ccccc1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072172916 472632937 /nfs/dbraw/zinc/63/29/37/472632937.db2.gz PHSJPDBLXGWIAX-GOSISDBHSA-N 0 0 332.400 2.532 50 0 EFAARN O=C([O-])c1ccccc1C[NH+]1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072169962 472633095 /nfs/dbraw/zinc/63/30/95/472633095.db2.gz PPFJMXSJIPYWEK-LJQANCHMSA-N 0 0 337.419 2.836 50 0 EFAARN O[C@@H](CNc1cc(-c2ccccc2)nc2ccnn21)c1ccncc1 ZINC000072161333 472633308 /nfs/dbraw/zinc/63/33/08/472633308.db2.gz HYMKSLDOHSTKNU-KRWDZBQOSA-N 0 0 331.379 2.937 50 0 EFAARN CN(C)c1ccc([C@@H](O)CNC(=O)CCCc2ccccc2)cc1 ZINC000090611696 472642197 /nfs/dbraw/zinc/64/21/97/472642197.db2.gz OICVTZLXFWRDDJ-IBGZPJMESA-N 0 0 326.440 2.925 50 0 EFAARN CN(C)c1ccc([C@H](O)CNC(=O)NCCCc2ccccc2)cc1 ZINC000090611999 472642629 /nfs/dbraw/zinc/64/26/29/472642629.db2.gz VEXAGCUSQGVNOH-LJQANCHMSA-N 0 0 341.455 2.718 50 0 EFAARN CN(C)c1ccc([C@H](O)CNC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000090612010 472643376 /nfs/dbraw/zinc/64/33/76/472643376.db2.gz YRYAYJBUELJBCZ-QGZVFWFLSA-N 0 0 347.846 2.939 50 0 EFAARN CCOC(=O)Cc1c(C)[nH]c2c(C)c(-c3ccc(C)cc3)nn2c1=O ZINC000103713566 472643289 /nfs/dbraw/zinc/64/32/89/472643289.db2.gz XKJUZIOHOVYZJY-UHFFFAOYSA-N 0 0 339.395 2.720 50 0 EFAARN Cc1cc(C)n(-c2cc(NC(=O)Cc3ccccc3F)ncn2)n1 ZINC000090614259 472643780 /nfs/dbraw/zinc/64/37/80/472643780.db2.gz VOSCGXOELJBANR-UHFFFAOYSA-N 0 0 325.347 2.599 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)CCCOCc1ccccc1)C2 ZINC000072279077 472646760 /nfs/dbraw/zinc/64/67/60/472646760.db2.gz AAHDKOUXRIIZRT-KRWDZBQOSA-N 0 0 327.428 2.620 50 0 EFAARN O=C(Cn1ccc2ccccc21)N1CCC(Oc2cnccn2)CC1 ZINC000090677838 472649894 /nfs/dbraw/zinc/64/98/94/472649894.db2.gz WKHIOWTXMJHECA-UHFFFAOYSA-N 0 0 336.395 2.501 50 0 EFAARN O=C(CCc1ccc(F)c(F)c1)NCCCc1nnc2ccccn21 ZINC000120255987 472657481 /nfs/dbraw/zinc/65/74/81/472657481.db2.gz FWOMVOBFCUGWFH-UHFFFAOYSA-N 0 0 344.365 2.689 50 0 EFAARN C[N@@H+](Cc1ccccc1)C[C@H](CC(=O)Nc1ccc(O)cc1)C(=O)[O-] ZINC000072405354 472663084 /nfs/dbraw/zinc/66/30/84/472663084.db2.gz YNIZLPJKDCGLCA-HNNXBMFYSA-N 0 0 342.395 2.554 50 0 EFAARN O=C(CCc1ccncc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000060792803 472676679 /nfs/dbraw/zinc/67/66/79/472676679.db2.gz LCCZUUTYSSCUOJ-UHFFFAOYSA-N 0 0 341.430 2.888 50 0 EFAARN COc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1 ZINC000078229578 472677693 /nfs/dbraw/zinc/67/76/93/472677693.db2.gz 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/nfs/dbraw/zinc/71/49/38/472714938.db2.gz KDBAWKZTQMBYJB-UHFFFAOYSA-N 0 0 332.767 2.998 50 0 EFAARN Cc1sc2ncc(C(=O)Nc3cc(Cl)ccc3O)c(=O)n2c1C ZINC000061720911 472715982 /nfs/dbraw/zinc/71/59/82/472715982.db2.gz VFYHHRCRHZYAJH-UHFFFAOYSA-N 0 0 349.799 2.984 50 0 EFAARN Cn1cc(C(=O)Nc2nnc(C3CC3)s2)c2ccccc2c1=O ZINC000061719637 472716075 /nfs/dbraw/zinc/71/60/75/472716075.db2.gz DVYYUGCOHRFVDE-UHFFFAOYSA-N 0 0 326.381 2.520 50 0 EFAARN COc1cccc(NCc2nn(Cc3cccc(Cl)c3)c(=O)[nH]2)c1 ZINC000061720370 472716081 /nfs/dbraw/zinc/71/60/81/472716081.db2.gz CWTUZPRRPJZPDJ-UHFFFAOYSA-N 0 0 344.802 2.894 50 0 EFAARN CC(C)(C)C(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000061719246 472716255 /nfs/dbraw/zinc/71/62/55/472716255.db2.gz XGSJBFRCHISSOI-UHFFFAOYSA-N 0 0 327.428 2.935 50 0 EFAARN Cn1ccc2c1cccc2NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000061719429 472716392 /nfs/dbraw/zinc/71/63/92/472716392.db2.gz LUUVZSRBWQBTSQ-ZDUSSCGKSA-N 0 0 337.379 2.759 50 0 EFAARN C[C@](O)(CCc1ccccc1)CNC(=O)COc1ccc(F)cc1 ZINC000062021435 472726948 /nfs/dbraw/zinc/72/69/48/472726948.db2.gz CAHIZVYHXCESFH-IBGZPJMESA-N 0 0 331.387 2.705 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CCNC(=O)/C=C/c1ccccc1 ZINC000062001314 472727025 /nfs/dbraw/zinc/72/70/25/472727025.db2.gz NJOGZGYNMKDUBD-VAWYXSNFSA-N 0 0 333.391 2.535 50 0 biogenic EFAARN Cc1c(C(=O)N2CCC(Cn3ccnc3)CC2)cnn1-c1ccccc1 ZINC000062017571 472727485 /nfs/dbraw/zinc/72/74/85/472727485.db2.gz UKGGCALKQVBIJK-UHFFFAOYSA-N 0 0 349.438 2.930 50 0 EFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000047544554 472728675 /nfs/dbraw/zinc/72/86/75/472728675.db2.gz PHHJQSSIIIXILC-UHFFFAOYSA-N 0 0 333.432 2.885 50 0 EFAARN Cc1ccc(-c2cc(C(=O)N3CCCn4cncc4C3)[nH]n2)s1 ZINC000091270261 472750454 /nfs/dbraw/zinc/75/04/54/472750454.db2.gz YTCRMPBVPQVIJZ-UHFFFAOYSA-N 0 0 327.413 2.689 50 0 EFAARN CC[C@@H](C(=O)NCCc1csc(-c2ccncc2)n1)n1cccn1 ZINC000091289478 472752228 /nfs/dbraw/zinc/75/22/28/472752228.db2.gz YJLVEACXISPWIB-HNNXBMFYSA-N 0 0 341.440 2.712 50 0 EFAARN CN(C)[C@H](C(=O)NCCN(C)c1ccccc1)c1ccccc1F ZINC000091288879 472752243 /nfs/dbraw/zinc/75/22/43/472752243.db2.gz YPSNAHUHLVNLLG-SFHVURJKSA-N 0 0 329.419 2.681 50 0 EFAARN CN(C)[C@@H](C(=O)N(CCO)Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000091289605 472752352 /nfs/dbraw/zinc/75/23/52/472752352.db2.gz RCCSFWDZRRTDDM-GOSISDBHSA-N 0 0 348.393 2.589 50 0 EFAARN O=C([C@@H]1COc2ccccc2C1)N1CCC(CCn2cccn2)CC1 ZINC000091289520 472752903 /nfs/dbraw/zinc/75/29/03/472752903.db2.gz BJCWLVVAEFKUEM-SFHVURJKSA-N 0 0 339.439 2.763 50 0 EFAARN O=C([C@H]1COc2ccccc2C1)N1CCC(CCn2cccn2)CC1 ZINC000091289521 472753170 /nfs/dbraw/zinc/75/31/70/472753170.db2.gz BJCWLVVAEFKUEM-GOSISDBHSA-N 0 0 339.439 2.763 50 0 EFAARN Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)ccn1 ZINC000091289494 472753413 /nfs/dbraw/zinc/75/34/13/472753413.db2.gz CTKCVAKSYGIHRP-QGZVFWFLSA-N 0 0 343.471 2.968 50 0 EFAARN CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)on1 ZINC000091320924 472757678 /nfs/dbraw/zinc/75/76/78/472757678.db2.gz NCPFCHLZANSKPE-HNNXBMFYSA-N 0 0 342.443 2.915 50 0 EFAARN Cc1ccc2nc(C(=O)NCC[C@@H]3COc4ccccc4O3)cn2c1 ZINC000091364875 472760264 /nfs/dbraw/zinc/76/02/64/472760264.db2.gz VKVAUVNZCKJOSD-CQSZACIVSA-N 0 0 337.379 2.603 50 0 EFAARN COc1cccc(CN2C[C@H](c3nc(CSC)no3)CCC2=O)c1 ZINC000091364790 472760347 /nfs/dbraw/zinc/76/03/47/472760347.db2.gz WTARPJRMJDBRNE-CYBMUJFWSA-N 0 0 347.440 2.847 50 0 EFAARN CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)c1nc(C)c[nH]1 ZINC000091380824 472761532 /nfs/dbraw/zinc/76/15/32/472761532.db2.gz AUIVKHQCQGXDAL-AWEZNQCLSA-N 0 0 339.399 2.998 50 0 EFAARN COc1cccc(-c2cc(C(=O)NCCC[C@H]3CCOC3)[nH]n2)c1 ZINC000091381159 472761769 /nfs/dbraw/zinc/76/17/69/472761769.db2.gz IAKPNNZEGWEEQT-ZDUSSCGKSA-N 0 0 329.400 2.632 50 0 EFAARN CC(C)[C@@H](C(N)=O)n1cc(-c2nc3ccccc3n2C(C)C)nn1 ZINC000091382163 472762921 /nfs/dbraw/zinc/76/29/21/472762921.db2.gz GIROLJFWLUATKH-HNNXBMFYSA-N 0 0 326.404 2.558 50 0 EFAARN COc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1Cl ZINC000105618197 472764221 /nfs/dbraw/zinc/76/42/21/472764221.db2.gz QXVKQALFFVTCSY-UHFFFAOYSA-N 0 0 342.269 2.740 50 0 EFAARN CCc1noc([C@@H]2CCC(=O)N(CCc3ccc(OC)cc3)C2)n1 ZINC000091547521 472775997 /nfs/dbraw/zinc/77/59/97/472775997.db2.gz AQBUVMLIALLKMR-CQSZACIVSA-N 0 0 329.400 2.589 50 0 EFAARN COc1ccc2nc(NC(=O)CNC(=O)OC(C)(C)C)sc2c1 ZINC000063465411 472777377 /nfs/dbraw/zinc/77/73/77/472777377.db2.gz ADJIWLCZIPFPDI-UHFFFAOYSA-N 0 0 337.401 2.768 50 0 EFAARN CN(C(=O)c1ccc(-n2cnnc2)nc1)[C@@H]1CCCc2ccccc21 ZINC000091594351 472780671 /nfs/dbraw/zinc/78/06/71/472780671.db2.gz BVXQJPPRUFIDHN-QGZVFWFLSA-N 0 0 333.395 2.812 50 0 EFAARN O=C1N(C2CCOCC2)CCC[C@@]12CCN(c1ccc(Cl)cn1)C2 ZINC000091620660 472783608 /nfs/dbraw/zinc/78/36/08/472783608.db2.gz ZLGRJHHDKFHEFK-SFHVURJKSA-N 0 0 349.862 2.733 50 0 EFAARN COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000091643971 472789169 /nfs/dbraw/zinc/78/91/69/472789169.db2.gz UGATXBINOWWIRX-INIZCTEOSA-N 0 0 345.418 2.617 50 0 EFAARN COc1cccc(C)c1C(=O)N1CCC(CCN2CCCC2=O)CC1 ZINC000091663497 472790038 /nfs/dbraw/zinc/79/00/38/472790038.db2.gz IMFUSZSNLGGFEI-UHFFFAOYSA-N 0 0 344.455 2.868 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 ZINC000091656800 472790525 /nfs/dbraw/zinc/79/05/25/472790525.db2.gz JNGKWLKICQLGAM-OAHLLOKOSA-N 0 0 329.400 2.814 50 0 EFAARN Cc1cccc([C@H](C(=O)NCCNc2ncccc2C)N(C)C)c1 ZINC000091829645 472813985 /nfs/dbraw/zinc/81/39/85/472813985.db2.gz QTAUNRXEZJDTEN-QGZVFWFLSA-N 0 0 326.444 2.529 50 0 EFAARN CCN(CC1CCOCC1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000091830001 472814019 /nfs/dbraw/zinc/81/40/19/472814019.db2.gz VAYYLIKXLKNJCW-UHFFFAOYSA-N 0 0 329.400 2.671 50 0 EFAARN Cc1c[nH]c(CNCc2ccc(Sc3ncccn3)o2)c(C)c1=O ZINC000063834037 472818212 /nfs/dbraw/zinc/81/82/12/472818212.db2.gz DNFVXQWKSUZMTQ-UHFFFAOYSA-N 0 0 342.424 2.816 50 0 EFAARN CC[C@@H](C)N(Cc1ccncc1)C(=O)CNC(=O)c1ccccc1 ZINC000063847981 472819823 /nfs/dbraw/zinc/81/98/23/472819823.db2.gz DHSAICTVZDTZIH-OAHLLOKOSA-N 0 0 325.412 2.639 50 0 EFAARN Cc1nn(C)cc1-c1ccnc(N2CCCN(c3ccccc3)CC2)n1 ZINC000048148182 472820365 /nfs/dbraw/zinc/82/03/65/472820365.db2.gz GIGVYIDHNYVTGE-UHFFFAOYSA-N 0 0 348.454 2.902 50 0 EFAARN Cc1ccc(-c2nnc(NC(=O)N(C)Cc3ccncn3)s2)cc1 ZINC000063855912 472822067 /nfs/dbraw/zinc/82/20/67/472822067.db2.gz ONWNXVZPQBEPHT-UHFFFAOYSA-N 0 0 340.412 2.967 50 0 EFAARN COc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(=O)[nH]c2c1 ZINC000079193780 472830489 /nfs/dbraw/zinc/83/04/89/472830489.db2.gz DJKFGYNQZAIABW-UHFFFAOYSA-N 0 0 339.439 2.583 50 0 biogenic EFAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cnc(C(C)(C)C)[nH]c1=O ZINC000091997985 472839782 /nfs/dbraw/zinc/83/97/82/472839782.db2.gz XMFUCPJUGHCGFD-NSHDSACASA-N 0 0 346.456 2.640 50 0 EFAARN CCCOC[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000092028068 472844299 /nfs/dbraw/zinc/84/42/99/472844299.db2.gz XFCMUFOHHJUJBT-CQSZACIVSA-N 0 0 343.427 2.974 50 0 EFAARN Cc1nc2cc(CNC(=O)c3cc(CC(C)C)no3)ccc2n1C ZINC000092081201 472856244 /nfs/dbraw/zinc/85/62/44/472856244.db2.gz OQVHRIAXHWRWMX-UHFFFAOYSA-N 0 0 326.400 2.998 50 0 EFAARN O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000048350595 472861115 /nfs/dbraw/zinc/86/11/15/472861115.db2.gz RLLPAVWQPNRKIN-AWEZNQCLSA-N 0 0 344.430 2.765 50 0 EFAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCCc1ccccc1 ZINC000048369198 472868202 /nfs/dbraw/zinc/86/82/02/472868202.db2.gz VRBQEAPJUZJVPT-UHFFFAOYSA-N 0 0 347.418 2.659 50 0 EFAARN CCOC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000064667709 472869842 /nfs/dbraw/zinc/86/98/42/472869842.db2.gz KSQMHYMNCLHCCR-UHFFFAOYSA-N 0 0 332.356 2.827 50 0 EFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cnc2cc3c(cc21)OCCO3 ZINC000064794873 472875934 /nfs/dbraw/zinc/87/59/34/472875934.db2.gz KSZUTCJQNXURRR-CHWSQXEVSA-N 0 0 329.400 2.597 50 0 EFAARN COc1cccc([C@H]2CCCCN2C(=O)Nc2nc(C)n(C)n2)c1 ZINC000048482821 472881105 /nfs/dbraw/zinc/88/11/05/472881105.db2.gz IYPGSRTZLFFOEK-OAHLLOKOSA-N 0 0 329.404 2.891 50 0 EFAARN Cc1cc(OCC(=O)Nc2ccccc2F)nc(N2CCCCC2)n1 ZINC000065101711 472898993 /nfs/dbraw/zinc/89/89/93/472898993.db2.gz ANOOOVIDEDOCOX-UHFFFAOYSA-N 0 0 344.390 2.932 50 0 EFAARN Nc1nc(N2CCCCCC2)ncc1C(=O)NCc1ccccc1F ZINC000065154765 472902458 /nfs/dbraw/zinc/90/24/58/472902458.db2.gz VGJMNTGJXDZKQY-UHFFFAOYSA-N 0 0 343.406 2.508 50 0 EFAARN O=C(CCC(F)(F)F)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000079676166 472905366 /nfs/dbraw/zinc/90/53/66/472905366.db2.gz UONJTBOACCJKAL-UHFFFAOYSA-N 0 0 334.363 2.765 50 0 EFAARN Cc1nc([C@H]2CCCN2CC(=O)N2CCC[C@H]2c2cccs2)no1 ZINC000107046768 472922976 /nfs/dbraw/zinc/92/29/76/472922976.db2.gz LDKZJZCYOZPKMR-UONOGXRCSA-N 0 0 346.456 2.940 50 0 EFAARN Cc1cnc(NC(=O)CN(C)C(=O)c2c[nH]c3ccccc32)s1 ZINC000049027892 472925573 /nfs/dbraw/zinc/92/55/73/472925573.db2.gz ORJUHANXCPSWLK-UHFFFAOYSA-N 0 0 328.397 2.644 50 0 EFAARN Cc1nc(-c2nnc(NC(=O)c3ccc4nsnc4c3)o2)cs1 ZINC000049029213 472925698 /nfs/dbraw/zinc/92/56/98/472925698.db2.gz GULIGSLGHYNBKD-UHFFFAOYSA-N 0 0 344.381 2.759 50 0 EFAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N(C)S(C)(=O)=O ZINC000065361844 472925960 /nfs/dbraw/zinc/92/59/60/472925960.db2.gz RVZUJPGLMXZMFD-CQSZACIVSA-N 0 0 346.452 2.882 50 0 EFAARN O=C(Cn1cnc(-c2cccs2)cc1=O)N1CCc2ccccc21 ZINC000049028312 472926064 /nfs/dbraw/zinc/92/60/64/472926064.db2.gz BDNFRCMXYFWYNS-UHFFFAOYSA-N 0 0 337.404 2.561 50 0 EFAARN Cc1nnc(NC(=O)Cc2csc(Nc3cc(C)ccn3)n2)s1 ZINC000049029639 472926198 /nfs/dbraw/zinc/92/61/98/472926198.db2.gz NDFXPHHGUXOTCC-UHFFFAOYSA-N 0 0 346.441 2.931 50 0 EFAARN Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nn1 ZINC000065362160 472926234 /nfs/dbraw/zinc/92/62/34/472926234.db2.gz QEQCCGFNMPFDSV-UHFFFAOYSA-N 0 0 331.807 2.793 50 0 EFAARN Cc1cc(-c2nn3c(CN(C)Cc4ccccc4)nnc3s2)no1 ZINC000065363811 472926670 /nfs/dbraw/zinc/92/66/70/472926670.db2.gz GZBZCPPAOIUHLW-UHFFFAOYSA-N 0 0 340.412 2.781 50 0 EFAARN Cc1ccc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)nn1 ZINC000065364085 472927193 /nfs/dbraw/zinc/92/71/93/472927193.db2.gz NEJITWGZPHTPOR-UHFFFAOYSA-N 0 0 325.416 2.756 50 0 EFAARN Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 ZINC000065364217 472927279 /nfs/dbraw/zinc/92/72/79/472927279.db2.gz IHERDMCJNVHAGD-UHFFFAOYSA-N 0 0 332.425 2.952 50 0 EFAARN Cc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 ZINC000065364867 472927416 /nfs/dbraw/zinc/92/74/16/472927416.db2.gz NRONKDQTBHDIMU-UHFFFAOYSA-N 0 0 332.425 2.952 50 0 EFAARN Cc1ccc(C(=O)N(C)c2ccccc2)cc1N(C)S(C)(=O)=O ZINC000065363532 472927475 /nfs/dbraw/zinc/92/74/75/472927475.db2.gz GCLWOTMXWCKVFB-UHFFFAOYSA-N 0 0 332.425 2.667 50 0 EFAARN CCCc1cc(CNC(=O)CC(=O)Nc2ccccc2OCC)on1 ZINC000065371554 472928159 /nfs/dbraw/zinc/92/81/59/472928159.db2.gz HGGUBTUMIDALDY-UHFFFAOYSA-N 0 0 345.399 2.671 50 0 EFAARN CCc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCC(=O)N4C)o1 ZINC000065372135 472928233 /nfs/dbraw/zinc/92/82/33/472928233.db2.gz UWTWYYNYTFQMHV-LBPRGKRZSA-N 0 0 326.352 2.671 50 0 EFAARN Cc1nc(CC(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)cs1 ZINC000065376262 472929372 /nfs/dbraw/zinc/92/93/72/472929372.db2.gz HEJKOEKJCXPMIT-QGZVFWFLSA-N 0 0 334.416 2.608 50 0 EFAARN COc1cc([C@@H]2CC(=O)Nc3cc4n[nH]cc4cc32)cc2c1OCO2 ZINC000065375336 472930008 /nfs/dbraw/zinc/93/00/08/472930008.db2.gz PYIBREZPQLUVTK-NSHDSACASA-N 0 0 337.335 2.774 50 0 EFAARN COc1ccc(-n2nc(C)nc2[C@H](C)Cn2nc(C)nc2C)cc1 ZINC000065384922 472930831 /nfs/dbraw/zinc/93/08/31/472930831.db2.gz JATHRROHFWDELG-LLVKDONJSA-N 0 0 326.404 2.596 50 0 EFAARN C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000065388126 472930863 /nfs/dbraw/zinc/93/08/63/472930863.db2.gz PXHYUKMUUSQVJM-GFCCVEGCSA-N 0 0 328.368 2.744 50 0 EFAARN COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(CC(C)C)cc1)C2 ZINC000065386210 472930980 /nfs/dbraw/zinc/93/09/80/472930980.db2.gz WETVGSVBUPFYJL-UHFFFAOYSA-N 0 0 341.411 2.524 50 0 EFAARN COc1ccc(-n2nc(C)nc2[C@@H](C)Cn2nc(C)nc2C)cc1 ZINC000065384923 472931312 /nfs/dbraw/zinc/93/13/12/472931312.db2.gz JATHRROHFWDELG-NSHDSACASA-N 0 0 326.404 2.596 50 0 EFAARN CCOc1cccc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)c1 ZINC000065384602 472931368 /nfs/dbraw/zinc/93/13/68/472931368.db2.gz UTOHDQXNYZRCPT-UHFFFAOYSA-N 0 0 325.412 2.535 50 0 EFAARN COc1ccc(-n2nc(CC(C)C)nc2[C@H](C)n2cncn2)cc1 ZINC000065396642 472932967 /nfs/dbraw/zinc/93/29/67/472932967.db2.gz MNXWHKXPNCGUCM-ZDUSSCGKSA-N 0 0 326.404 2.675 50 0 EFAARN Cc1cccn2c(CC(=O)NCc3ccc4c(c3)C[C@H](C)O4)cnc12 ZINC000065394149 472932993 /nfs/dbraw/zinc/93/29/93/472932993.db2.gz NWPXPVMTUQSGCX-AWEZNQCLSA-N 0 0 335.407 2.825 50 0 EFAARN COc1ncc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065395919 472933005 /nfs/dbraw/zinc/93/30/05/472933005.db2.gz ZQJOFSYILXGXLT-VQTJNVASSA-N 0 0 349.434 2.989 50 0 EFAARN COc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c(O)c1 ZINC000065397078 472933459 /nfs/dbraw/zinc/93/34/59/472933459.db2.gz GGEUPFSEFLEOKW-MAUKXSAKSA-N 0 0 345.370 2.531 50 0 EFAARN CCc1noc(CN(CC)C(=O)[C@@H](c2cccc(C)c2)N(C)C)n1 ZINC000065399210 472933612 /nfs/dbraw/zinc/93/36/12/472933612.db2.gz SLGKPHLYTUHHHU-QGZVFWFLSA-N 0 0 330.432 2.592 50 0 EFAARN O=C(NCc1sc2ccccc2c1Cl)c1cc2n(n1)CCNC2 ZINC000065398909 472933837 /nfs/dbraw/zinc/93/38/37/472933837.db2.gz PATUERJANDWJJB-UHFFFAOYSA-N 0 0 346.843 2.784 50 0 EFAARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)CCn1nnc2ccccc21 ZINC000065397538 472934583 /nfs/dbraw/zinc/93/45/83/472934583.db2.gz UQLFGRYRGFOYQZ-ZDUSSCGKSA-N 0 0 338.415 2.936 50 0 EFAARN CN1CCCn2nc(C(=O)N3CC=C(c4ccccc4)CC3)cc2C1 ZINC000065403273 472935021 /nfs/dbraw/zinc/93/50/21/472935021.db2.gz BRBIJNHDVBASOG-UHFFFAOYSA-N 0 0 336.439 2.648 50 0 EFAARN Cc1ncsc1CCC(=O)NCc1noc(-c2cccs2)n1 ZINC000065410738 472936829 /nfs/dbraw/zinc/93/68/29/472936829.db2.gz RHWDXWYYOMJVDR-UHFFFAOYSA-N 0 0 334.426 2.812 50 0 EFAARN CCc1nc(C)sc1CNC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000065409797 472937166 /nfs/dbraw/zinc/93/71/66/472937166.db2.gz FXQQUSIBYBVDSB-UHFFFAOYSA-N 0 0 331.441 2.967 50 0 EFAARN Cc1ccn2cc(CNC(=O)c3cccc(-n4cccn4)c3)nc2c1 ZINC000065417157 472938000 /nfs/dbraw/zinc/93/80/00/472938000.db2.gz VMSWXSQXMXAOEA-UHFFFAOYSA-N 0 0 331.379 2.758 50 0 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HCXSRGSWLROBAC-SJORKVTESA-N 0 0 334.379 2.796 50 0 EFAARN COc1ccc(CNC(=O)N2CC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC000238894312 474542517 /nfs/dbraw/zinc/54/25/17/474542517.db2.gz QXKDIXVGTVXCET-KRWDZBQOSA-N 0 0 341.411 2.762 50 0 EFAARN Cc1ncsc1C(=O)N1C[C@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000238872716 474542689 /nfs/dbraw/zinc/54/26/89/474542689.db2.gz NHIGHGZQWJQBNC-KGLIPLIRSA-N 0 0 340.408 2.858 50 0 EFAARN Cc1cccc(CCC(=O)N2CCc3nc4ccccn4c(=O)c3C2)c1 ZINC000238876313 474543137 /nfs/dbraw/zinc/54/31/37/474543137.db2.gz OCXVFWQFBJATPD-UHFFFAOYSA-N 0 0 347.418 2.520 50 0 EFAARN O=C(NCCn1ccc2ccoc2c1=O)c1nc2ccccc2s1 ZINC000238925914 474544085 /nfs/dbraw/zinc/54/40/85/474544085.db2.gz UQCNKEOJTHMEOL-UHFFFAOYSA-N 0 0 339.376 2.634 50 0 EFAARN O=C(c1cccc(Oc2ccccn2)c1)N1CC(Nc2ncccn2)C1 ZINC000240178552 474547835 /nfs/dbraw/zinc/54/78/35/474547835.db2.gz YZXNURFSHCVVBM-UHFFFAOYSA-N 0 0 347.378 2.600 50 0 EFAARN COCC[C@H]1CN(Cc2ccccc2-n2nc(C)cc2C)CCO1 ZINC000240203794 474549058 /nfs/dbraw/zinc/54/90/58/474549058.db2.gz JTLQFNZZIWTAGH-SFHVURJKSA-N 0 0 329.444 2.726 50 0 EFAARN COCCN1C[C@@H](Cc2cc(C)c3cccc(OC)c3n2)CC1=O ZINC000244724512 474564611 /nfs/dbraw/zinc/56/46/11/474564611.db2.gz MVLHERYCKLZMSW-AWEZNQCLSA-N 0 0 328.412 2.589 50 0 EFAARN Cc1nc(CC(=O)NCCc2nc(C)c3c(n2)CCCC3)c(C)s1 ZINC000244811354 474566224 /nfs/dbraw/zinc/56/62/24/474566224.db2.gz SBKVUOHTZXMCPH-UHFFFAOYSA-N 0 0 344.484 2.639 50 0 EFAARN CO[C@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1ccccc1 ZINC000244796121 474566256 /nfs/dbraw/zinc/56/62/56/474566256.db2.gz RTHGLKTUOIALHR-SFHVURJKSA-N 0 0 326.396 2.839 50 0 EFAARN O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1coc2ccccc12 ZINC000244852749 474567277 /nfs/dbraw/zinc/56/72/77/474567277.db2.gz UXXNYKPAOTWMOZ-JOQOYGCGSA-N 0 0 336.391 2.940 50 0 EFAARN O=C(CN1CCC[C@H](C(=O)c2cccs2)C1)NCc1ccccc1 ZINC000244899453 474567980 /nfs/dbraw/zinc/56/79/80/474567980.db2.gz ZKDWAVMBFRJAMK-INIZCTEOSA-N 0 0 342.464 2.959 50 0 EFAARN Cc1nc(CC2CCN(CC(=O)Nc3ccc(C)c(C)c3)CC2)no1 ZINC000244899554 474568659 /nfs/dbraw/zinc/56/86/59/474568659.db2.gz ZLRLLIRZANTUPC-UHFFFAOYSA-N 0 0 342.443 2.888 50 0 EFAARN COc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(C)c1 ZINC000244899475 474568674 /nfs/dbraw/zinc/56/86/74/474568674.db2.gz ZKMDNBBTGAKDSF-DEYYWGMASA-N 0 0 326.396 2.641 50 0 EFAARN Fc1ccccc1-c1noc(-c2cncnc2N2CCSCC2)n1 ZINC000244998673 474569234 /nfs/dbraw/zinc/56/92/34/474569234.db2.gz KPBJDJDWXHUEMW-UHFFFAOYSA-N 0 0 343.387 2.886 50 0 EFAARN Cn1ccc2cc([C@H](O)CNC(=O)COc3ccccc3F)ccc21 ZINC000245015292 474570116 /nfs/dbraw/zinc/57/01/16/474570116.db2.gz LUMVIZHYOTYYTQ-QGZVFWFLSA-N 0 0 342.370 2.546 50 0 EFAARN Cn1ccc2cc([C@H](O)CNC(=O)Cc3ccc(F)cc3)ccc21 ZINC000245093473 474570408 /nfs/dbraw/zinc/57/04/08/474570408.db2.gz ROYFZPWHXLSNBL-GOSISDBHSA-N 0 0 326.371 2.710 50 0 EFAARN O=C(N[C@H]1CC[C@H](Oc2cnccn2)CC1)c1cc2ccccn2c1 ZINC000245171736 474570479 /nfs/dbraw/zinc/57/04/79/474570479.db2.gz XSRKPRFJNSRRGT-JCNLHEQBSA-N 0 0 336.395 2.849 50 0 EFAARN O=C(NC1CC1)c1ccnc(C[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000252482661 474666807 /nfs/dbraw/zinc/66/68/07/474666807.db2.gz DLUDITYQTFEKCL-CQSZACIVSA-N 0 0 335.407 2.569 50 0 EFAARN CCc1nnc(SCC(=O)NCc2ccc(F)cc2)n1C1CC1 ZINC000252481693 474667608 /nfs/dbraw/zinc/66/76/08/474667608.db2.gz CQMURILHCVHMEU-UHFFFAOYSA-N 0 0 334.420 2.723 50 0 EFAARN Cc1nc(CN(C)CCC(=O)Nc2nnc(C3CC3)s2)cs1 ZINC000252482697 474668008 /nfs/dbraw/zinc/66/80/08/474668008.db2.gz DMECFKHYZNIXKT-UHFFFAOYSA-N 0 0 337.474 2.641 50 0 EFAARN Cc1nc(-c2ccc(CNC(=O)c3nn(C)c4ccccc43)cc2)no1 ZINC000252481401 474668317 /nfs/dbraw/zinc/66/83/17/474668317.db2.gz CKNBZOZKVPCFLM-UHFFFAOYSA-N 0 0 347.378 2.862 50 0 EFAARN O=C(NCc1c[nH]c2ccccc12)c1ccnc(O[C@H]2CCOC2)c1 ZINC000252485332 474671938 /nfs/dbraw/zinc/67/19/38/474671938.db2.gz GRJRUYXZTOATGU-HNNXBMFYSA-N 0 0 337.379 2.661 50 0 EFAARN CNC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000252489776 474675169 /nfs/dbraw/zinc/67/51/69/474675169.db2.gz KACNMXBEMJUOJD-UHFFFAOYSA-N 0 0 338.816 2.642 50 0 EFAARN CCC(CC)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000252490088 474675896 /nfs/dbraw/zinc/67/58/96/474675896.db2.gz KIVZDTJGXIGBFT-UHFFFAOYSA-N 0 0 328.453 2.568 50 0 EFAARN C[C@@H]1CCCC[N@@H+]1C1CN(CCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000252507817 474684997 /nfs/dbraw/zinc/68/49/97/474684997.db2.gz WUHIMYDMEWUENY-OAHLLOKOSA-N 0 0 332.444 2.712 50 0 EFAARN COc1ccccc1CNC(=O)CCN(C)Cc1nc(C)cs1 ZINC000252508487 474688087 /nfs/dbraw/zinc/68/80/87/474688087.db2.gz XOBXYGHPQPTIGP-UHFFFAOYSA-N 0 0 333.457 2.598 50 0 EFAARN O=C(Cc1ccsc1)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 ZINC000252522855 474692555 /nfs/dbraw/zinc/69/25/55/474692555.db2.gz BHULWJUACBEGPS-HDJSIYSDSA-N 0 0 335.404 2.726 50 0 EFAARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1ccc(F)cc1Cl ZINC000252527714 474693870 /nfs/dbraw/zinc/69/38/70/474693870.db2.gz DESGEXXIBPNLMT-JDFRZJQESA-N 0 0 348.805 2.986 50 0 EFAARN Cc1ncsc1C(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 ZINC000252527676 474694087 /nfs/dbraw/zinc/69/40/87/474694087.db2.gz DDFZFRHFXKIOQW-IIAWOOMASA-N 0 0 344.436 2.628 50 0 EFAARN Cc1nc(NCc2cnn(Cc3ccccc3)c2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000252552411 474697654 /nfs/dbraw/zinc/69/76/54/474697654.db2.gz URSKJCBYQAOGEC-HDICACEKSA-N 0 0 349.438 2.880 50 0 EFAARN CC[C@H](C)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)N1Cc2ccccc2C1=O ZINC000252587252 474699814 /nfs/dbraw/zinc/69/98/14/474699814.db2.gz WRCHTUFSIMGECA-USJZOSNVSA-N 0 0 346.471 2.580 50 0 biogenic EFAARN COC1CCN(c2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000253394545 474734109 /nfs/dbraw/zinc/73/41/09/474734109.db2.gz BGQRBURYKKGDHZ-UHFFFAOYSA-N 0 0 325.412 2.627 50 0 EFAARN O=C(N[C@H](CO)c1ccccc1)C1(c2ccccc2)CCOCC1 ZINC000253401654 474736755 /nfs/dbraw/zinc/73/67/55/474736755.db2.gz FTNFOFGNFIMPEG-GOSISDBHSA-N 0 0 325.408 2.585 50 0 biogenic EFAARN CCOc1ccc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1 ZINC000253397752 474736929 /nfs/dbraw/zinc/73/69/29/474736929.db2.gz FYVNGXDNQSHLJI-SFHVURJKSA-N 0 0 336.395 2.848 50 0 EFAARN COC1CN(c2ccc(NC(=O)CSc3ccncc3)cc2)C1 ZINC000253397849 474737241 /nfs/dbraw/zinc/73/72/41/474737241.db2.gz GDGPCTGRCNJNIE-UHFFFAOYSA-N 0 0 329.425 2.647 50 0 EFAARN O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1cccc(F)c1 ZINC000253399354 474738041 /nfs/dbraw/zinc/73/80/41/474738041.db2.gz IXVYKOKBOVYBSL-INIZCTEOSA-N 0 0 334.416 2.939 50 0 EFAARN O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccccc1F ZINC000253407488 474739443 /nfs/dbraw/zinc/73/94/43/474739443.db2.gz WMUHOCPKXMNUTF-INIZCTEOSA-N 0 0 334.416 2.939 50 0 EFAARN O=C(/C=C/c1ccoc1)NC[C@@H](c1ccco1)N1CCSCC1 ZINC000253407103 474739606 /nfs/dbraw/zinc/73/96/06/474739606.db2.gz VPHGOOYOMYBYLD-BWPKMQGJSA-N 0 0 332.425 2.792 50 0 EFAARN Cc1ccncc1NC(=O)c1ccc(OCC2CCOCC2)nc1 ZINC000253404687 474739744 /nfs/dbraw/zinc/73/97/44/474739744.db2.gz RJDUZLRLLBRODC-UHFFFAOYSA-N 0 0 327.384 2.843 50 0 EFAARN O=C(CC1(n2cccc2)CCCCC1)NCc1nnc2ccccn21 ZINC000253412375 474740369 /nfs/dbraw/zinc/74/03/69/474740369.db2.gz QURNJIGTVGPVOV-UHFFFAOYSA-N 0 0 337.427 2.897 50 0 EFAARN c1ccc2c(c1)OC[C@H](c1nc3nccc(-c4cccnc4)n3n1)O2 ZINC000253412320 474740467 /nfs/dbraw/zinc/74/04/67/474740467.db2.gz QPRJYAKTSLJGDX-MRXNPFEDSA-N 0 0 331.335 2.699 50 0 EFAARN CC(C)Cn1ccc2c1cccc2OCC(=O)NCCc1c[nH]cn1 ZINC000253408723 474741554 /nfs/dbraw/zinc/74/15/54/474741554.db2.gz KZSKAPKQAVSHEX-UHFFFAOYSA-N 0 0 340.427 2.758 50 0 biogenic EFAARN CCCOc1ccc(CCC(=O)N2CC(Nc3ncccn3)C2)cc1 ZINC000253472692 474759338 /nfs/dbraw/zinc/75/93/38/474759338.db2.gz ONISMKIBNWAFHI-UHFFFAOYSA-N 0 0 340.427 2.521 50 0 EFAARN Cc1ccccc1/C=C/C(=O)NCc1cc(-c2cnccn2)nn1C ZINC000253473457 474759363 /nfs/dbraw/zinc/75/93/63/474759363.db2.gz VALTVIBZKQSLTK-BQYQJAHWSA-N 0 0 333.395 2.515 50 0 EFAARN O=C(NCCn1ccc(-c2cnccn2)n1)Nc1ccccc1Cl ZINC000253473041 474759373 /nfs/dbraw/zinc/75/93/73/474759373.db2.gz RCYDHIABQNULEM-UHFFFAOYSA-N 0 0 342.790 2.815 50 0 EFAARN CSc1ccccc1C(=O)NCc1cc(-c2cnccn2)nn1C ZINC000253472253 474760052 /nfs/dbraw/zinc/76/00/52/474760052.db2.gz KXJMFDNKOIQUMT-UHFFFAOYSA-N 0 0 339.424 2.529 50 0 EFAARN Cc1noc(C)c1C(=O)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000253471648 474760165 /nfs/dbraw/zinc/76/01/65/474760165.db2.gz DWIWUHWNLPDXRH-INIZCTEOSA-N 0 0 332.381 2.612 50 0 EFAARN O=C(c1cc(C2CC2)n[nH]1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 ZINC000253471917 474760276 /nfs/dbraw/zinc/76/02/76/474760276.db2.gz GPCWHQYQIGITQD-NSHDSACASA-N 0 0 339.355 2.560 50 0 EFAARN CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@H](O)[C@H]2C1 ZINC000257346343 474964698 /nfs/dbraw/zinc/96/46/98/474964698.db2.gz YOFGKSLUPIZZOA-BAFUAVLFSA-N 0 0 336.472 2.555 50 0 EFAARN C[C@]12CC[C@@H]3[C@H](C[C@H](F)[C@@]4(O)C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000257355978 474966457 /nfs/dbraw/zinc/96/64/57/474966457.db2.gz DZRJGNYGUDZEKW-ZJJFCEAFSA-N 0 0 326.452 2.814 50 0 EFAARN CCn1cc(CNC(=O)N(Cc2ccc(OC)cc2)C2CC2)cn1 ZINC000357975432 475306078 /nfs/dbraw/zinc/30/60/78/475306078.db2.gz BPQWXVASRNXBGT-UHFFFAOYSA-N 0 0 328.416 2.786 50 0 EFAARN O=C(NCc1cc(F)ccc1F)c1cnnn1Cc1ccccc1 ZINC000352632635 475475527 /nfs/dbraw/zinc/47/55/27/475475527.db2.gz GCYXBIXJJWHKCY-UHFFFAOYSA-N 0 0 328.322 2.535 50 0 EFAARN CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000342116556 475559859 /nfs/dbraw/zinc/55/98/59/475559859.db2.gz WDFARJYEASUSCQ-NSHDSACASA-N 0 0 337.851 2.992 50 0 EFAARN CCc1ocnc1C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000299764045 476151765 /nfs/dbraw/zinc/15/17/65/476151765.db2.gz QXFWXMRGHZWTSS-UHFFFAOYSA-N 0 0 342.424 2.809 50 0 EFAARN CC1=CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC1 ZINC000299770091 476153594 /nfs/dbraw/zinc/15/35/94/476153594.db2.gz OWLRCPJDJZOHPG-UHFFFAOYSA-N 0 0 325.368 2.629 50 0 EFAARN CCC(=O)NCc1cc2n(n1)CCN(C/C=C/c1ccc(F)cc1)C2 ZINC000299764518 476153928 /nfs/dbraw/zinc/15/39/28/476153928.db2.gz ACBWLYQADJPFQI-ONEGZZNKSA-N 0 0 342.418 2.577 50 0 EFAARN COCCn1cncc1CNC(=O)[C@]1(c2cccs2)CC1(C)C ZINC000299770263 476154117 /nfs/dbraw/zinc/15/41/17/476154117.db2.gz QSZUCTCDUMONEP-QGZVFWFLSA-N 0 0 333.457 2.575 50 0 EFAARN Cc1cc(CC(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)on1 ZINC000299764478 476154478 /nfs/dbraw/zinc/15/44/78/476154478.db2.gz HIPUNSNCINQIJP-ZDUSSCGKSA-N 0 0 333.819 2.822 50 0 EFAARN COC(C)(C)c1noc([C@@H]2CCc3nnc(-c4ccccc4)n3C2)n1 ZINC000351052007 476328022 /nfs/dbraw/zinc/32/80/22/476328022.db2.gz BPAVFCQXZNDEAO-CYBMUJFWSA-N 0 0 339.399 2.940 50 0 EFAARN CCCc1nnsc1C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 ZINC000390826934 476800742 /nfs/dbraw/zinc/80/07/42/476800742.db2.gz CSECSKBPLYTJSV-GFCCVEGCSA-N 0 0 335.433 2.509 50 0 EFAARN O=C(COc1ccc(F)cc1)NCc1ccnc(-c2ccncc2)c1 ZINC000390827318 476801079 /nfs/dbraw/zinc/80/10/79/476801079.db2.gz WZMCNBXVVOKVJS-UHFFFAOYSA-N 0 0 337.354 2.978 50 0 EFAARN CCCc1nnsc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390826935 476801294 /nfs/dbraw/zinc/80/12/94/476801294.db2.gz CSECSKBPLYTJSV-LBPRGKRZSA-N 0 0 335.433 2.509 50 0 EFAARN O=C(NCCCc1cc2ccccc2o1)C(=O)NCc1ccccc1 ZINC000390830147 476801650 /nfs/dbraw/zinc/80/16/50/476801650.db2.gz JCVKAZQIWAYBRG-UHFFFAOYSA-N 0 0 336.391 2.798 50 0 EFAARN CN(C)C(=O)N1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 ZINC000390829337 476801874 /nfs/dbraw/zinc/80/18/74/476801874.db2.gz DRMMDOPYIOJKDD-UHFFFAOYSA-N 0 0 341.814 2.603 50 0 EFAARN Cc1ccc(S(=O)(=O)NCc2nccnc2-c2ccco2)s1 ZINC000390828907 476801917 /nfs/dbraw/zinc/80/19/17/476801917.db2.gz CEVWUJXJSDIBBO-UHFFFAOYSA-N 0 0 335.410 2.585 50 0 EFAARN O=C(/C=C/c1ccco1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390828713 476802174 /nfs/dbraw/zinc/80/21/74/476802174.db2.gz BRPBEKQJICUYGV-KBOKABMXSA-N 0 0 345.420 2.681 50 0 EFAARN C[C@@H](NC(=O)C(=O)NCCc1ccc2c(ccn2C)c1)c1ccccc1 ZINC000390829781 476802225 /nfs/dbraw/zinc/80/22/25/476802225.db2.gz GOUMUKQEGHSTBO-OAHLLOKOSA-N 0 0 349.434 2.714 50 0 EFAARN Cn1cc(-c2cncc(CNC(=O)c3ccc(F)c(F)c3)c2)cn1 ZINC000390832205 476803498 /nfs/dbraw/zinc/80/34/98/476803498.db2.gz YAEUVWAQIHUOCZ-UHFFFAOYSA-N 0 0 328.322 2.690 50 0 EFAARN COc1coc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000370536918 476859979 /nfs/dbraw/zinc/85/99/79/476859979.db2.gz 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Cc1nc(-c2cccc(C(=O)N(C)CCC[C@@H]3CCCO3)c2)n(C)n1 ZINC000584891504 479272559 /nfs/dbraw/zinc/27/25/59/479272559.db2.gz BBLLZRLPUBDICB-QGZVFWFLSA-N 0 0 342.443 2.822 50 0 EFAARN O=C(NCCCn1ccnn1)c1ccc(-c2ccc3c(c2)OCC3)cc1 ZINC000584889886 479272582 /nfs/dbraw/zinc/27/25/82/479272582.db2.gz YLJCEEPRTCZUED-UHFFFAOYSA-N 0 0 348.406 2.700 50 0 EFAARN Cc1csc2c1ncn(CCc1nc3c(c(C)n1)CCC3)c2=O ZINC000584889212 479272883 /nfs/dbraw/zinc/27/28/83/479272883.db2.gz IKKXETJKHJFMMR-UHFFFAOYSA-N 0 0 326.425 2.596 50 0 EFAARN C[C@H](CCNC(=O)N1CCN(C2CCCC2)C(=O)C1)c1ccccc1 ZINC000584887935 479272953 /nfs/dbraw/zinc/27/29/53/479272953.db2.gz GUQDZSXMHPUTFJ-MRXNPFEDSA-N 0 0 343.471 2.977 50 0 EFAARN CSCCN1CCN(C(=O)NC2(c3ccc(C)cc3)CC2)CC1 ZINC000584891477 479273047 /nfs/dbraw/zinc/27/30/47/479273047.db2.gz NKXRBPJINLDOGY-UHFFFAOYSA-N 0 0 333.501 2.674 50 0 EFAARN CC(C)C[C@@H](C(N)=O)n1cnc2c(Cl)ccc(Cl)c2c1=O ZINC000584888581 479273224 /nfs/dbraw/zinc/27/32/24/479273224.db2.gz CHCOOLIUZUPEPK-JTQLQIEISA-N 0 0 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C[C@@H](CCc1ccccc1)Nc1c(=O)c(=O)c1NCc1ccncc1 ZINC000101696221 219156932 /nfs/dbraw/zinc/15/69/32/219156932.db2.gz VGALWCIYEZPKRR-AWEZNQCLSA-N 0 0 335.407 2.723 50 0 EFAARN COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004122329 210125972 /nfs/dbraw/zinc/12/59/72/210125972.db2.gz NKSGMKQNZGEGQZ-UHFFFAOYSA-N 0 0 332.787 2.646 50 0 biogenic EFAARN CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(CC)C(=O)c1ccc(F)cc1 ZINC000004110643 210121629 /nfs/dbraw/zinc/12/16/29/210121629.db2.gz WCXLOMUOEZKKOY-JVPBZIDWSA-N 0 0 348.370 2.920 50 0 EFAARN Cc1cc(O)c([C@@]2(O)C(=O)Nc3cc(Br)ccc32)cc1C ZINC000004110358 210122569 /nfs/dbraw/zinc/12/25/69/210122569.db2.gz PRUMRORLNVGOFZ-MRXNPFEDSA-N 0 0 348.196 2.960 50 0 EFAARN COc1cc(C=C2SC(=O)NC2=O)ccc1Oc1cnccn1 ZINC000004110271 210122396 /nfs/dbraw/zinc/12/23/96/210122396.db2.gz JWIKVLGOWJLORG-GHXNOFRVSA-N 0 0 329.337 2.601 50 0 EFAARN O=C(Cc1cccc2ccccc21)Nc1nnc(C2=COCCO2)o1 ZINC000004107218 210122123 /nfs/dbraw/zinc/12/21/23/210122123.db2.gz FKZQGIMHHICZNY-UHFFFAOYSA-N 0 0 337.335 2.749 50 0 EFAARN COCCCNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000004085175 210115981 /nfs/dbraw/zinc/11/59/81/210115981.db2.gz VTTWMIXVVLEIIJ-UHFFFAOYSA-N 0 0 343.379 2.851 50 0 biogenic EFAARN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC ZINC000004087431 210116042 /nfs/dbraw/zinc/11/60/42/210116042.db2.gz UPMRWVBGFOAYOH-UHFFFAOYSA-N 0 0 334.445 2.739 50 0 EFAARN CC(=O)Nc1nnc(SCC(=O)Nc2cc(C)ccc2C)s1 ZINC000004077915 210114541 /nfs/dbraw/zinc/11/45/41/210114541.db2.gz NPNVJQGWTGWPCE-UHFFFAOYSA-N 0 0 336.442 2.844 50 0 EFAARN COc1ccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000004029506 210103535 /nfs/dbraw/zinc/10/35/35/210103535.db2.gz FOROKZVZOVPMHO-KRWDZBQOSA-N 0 0 335.363 2.844 50 0 biogenic EFAARN Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCCCn2ccnc2)c1 ZINC000004025098 210100947 /nfs/dbraw/zinc/10/09/47/210100947.db2.gz QEVBBQTVOGFTSW-UHFFFAOYSA-N 0 0 336.395 2.571 50 0 EFAARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCCn1ccnc1 ZINC000003984657 210097935 /nfs/dbraw/zinc/09/79/35/210097935.db2.gz KOWRHRIFOLXTHE-UHFFFAOYSA-N 0 0 327.775 2.818 50 0 biogenic EFAARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CO ZINC000004015340 210099823 /nfs/dbraw/zinc/09/98/23/210099823.db2.gz BSXZQWCUBABPTM-UHFFFAOYSA-N 0 0 342.189 2.618 50 0 EFAARN O=C(NCc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000003995380 210097440 /nfs/dbraw/zinc/09/74/40/210097440.db2.gz YPAWNTYHOKFGPC-RCCFBDPRSA-N 0 0 343.423 2.607 50 0 EFAARN Cc1cc2c(c(C)c1)[C@H](Cc1nc(-c3ccc(C)nn3)no1)C(=O)N2 ZINC000102130588 219187306 /nfs/dbraw/zinc/18/73/06/219187306.db2.gz BMXUYHFRGUJWCB-LBPRGKRZSA-N 0 0 335.367 2.730 50 0 EFAARN CCOC(=O)C(C=Nc1nnc(-c2ccccc2)s1)C(=O)OCC ZINC000003767332 210074680 /nfs/dbraw/zinc/07/46/80/210074680.db2.gz NGUYEONJHXCVPJ-UHFFFAOYSA-N 0 0 347.396 2.627 50 0 EFAARN O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccccc1F ZINC000003663245 210072467 /nfs/dbraw/zinc/07/24/67/210072467.db2.gz LVYLAIOKWMCGPE-UHFFFAOYSA-N 0 0 325.233 2.988 50 0 EFAARN OCCN(CCO)c1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000003680528 210073352 /nfs/dbraw/zinc/07/33/52/210073352.db2.gz OIUJVLUDAAHNMH-UHFFFAOYSA-N 0 0 349.390 2.834 50 0 EFAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1 ZINC000003624101 210069130 /nfs/dbraw/zinc/06/91/30/210069130.db2.gz DXVQIIKAGUMYNM-CQSZACIVSA-N 0 0 341.338 2.605 50 0 EFAARN CSc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000003599441 210061537 /nfs/dbraw/zinc/06/15/37/210061537.db2.gz XJMLNSRQXIQZLC-UHFFFAOYSA-N 0 0 347.440 2.602 50 0 EFAARN COc1ccc(-c2ccc(=O)n(CC(=O)c3ccccc3)n2)c(F)c1 ZINC000044920657 213675940 /nfs/dbraw/zinc/67/59/40/213675940.db2.gz ZXGOVNGGIBIIPU-UHFFFAOYSA-N 0 0 338.338 2.941 50 0 EFAARN Cn1cc(CCCNC(=O)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000102622564 219215794 /nfs/dbraw/zinc/21/57/94/219215794.db2.gz GYAYVDOKZYTKPR-UHFFFAOYSA-N 0 0 325.334 2.730 50 0 EFAARN COc1ccc(NC(=O)COC(=O)/C=C/c2cccc(OC)c2)cc1 ZINC000003424170 210036246 /nfs/dbraw/zinc/03/62/46/210036246.db2.gz RKKACTONINRKMC-IZZDOVSWSA-N 0 0 341.363 2.899 50 0 EFAARN CCOc1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 ZINC000003400289 210028818 /nfs/dbraw/zinc/02/88/18/210028818.db2.gz DEQBOBJMWNVPQO-UHFFFAOYSA-N 0 0 342.395 2.947 50 0 EFAARN CN(C)c1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 ZINC000003399911 210028211 /nfs/dbraw/zinc/02/82/11/210028211.db2.gz BRSXLXINUFHCSE-UHFFFAOYSA-N 0 0 334.322 2.826 50 0 EFAARN COc1cccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)c1 ZINC000003386738 210024938 /nfs/dbraw/zinc/02/49/38/210024938.db2.gz MWMZBAZTKYBEBY-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccsc1)C1CC1 ZINC000044446598 213625360 /nfs/dbraw/zinc/62/53/60/213625360.db2.gz JQDHXLMDGCGHJY-UHFFFAOYSA-N 0 0 328.393 2.847 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)cc1 ZINC000003388428 210025883 /nfs/dbraw/zinc/02/58/83/210025883.db2.gz SRJSMXYLXSKJCW-UHFFFAOYSA-N 0 0 327.336 2.577 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000003392324 210025273 /nfs/dbraw/zinc/02/52/73/210025273.db2.gz VRXUHJOQDRWCOB-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN COc1ccccc1CCNC(=O)c1csc(-n2cccc2)n1 ZINC000044448360 213624761 /nfs/dbraw/zinc/62/47/61/213624761.db2.gz FJKWLPZJCMCTHF-UHFFFAOYSA-N 0 0 327.409 2.915 50 0 EFAARN Cc1ccc(CN2C[C@@H](c3noc(-c4ccncc4)n3)CC2=O)cc1 ZINC000044425390 213623022 /nfs/dbraw/zinc/62/30/22/213623022.db2.gz ZYCZJIRZRSLSIQ-INIZCTEOSA-N 0 0 334.379 2.956 50 0 EFAARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccncc3)n2)cc1 ZINC000044390945 213622554 /nfs/dbraw/zinc/62/25/54/213622554.db2.gz YYIOXJVOVCQGPP-CQSZACIVSA-N 0 0 334.379 2.813 50 0 EFAARN Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1F ZINC000003372455 210020856 /nfs/dbraw/zinc/02/08/56/210020856.db2.gz MFDSILDQVCNWBM-UHFFFAOYSA-N 0 0 347.390 2.573 50 0 EFAARN O=C(COc1ccc(F)c(Cl)c1)NCc1ccc2c(c1)OCO2 ZINC000003345148 210014736 /nfs/dbraw/zinc/01/47/36/210014736.db2.gz XVYQKNVWJBNTCV-UHFFFAOYSA-N 0 0 337.734 2.903 50 0 EFAARN O=C(NCc1c(F)cccc1F)c1csc(-c2cnccn2)n1 ZINC000044124114 213608646 /nfs/dbraw/zinc/60/86/46/213608646.db2.gz JUZICBRBBLUVBD-UHFFFAOYSA-N 0 0 332.335 2.808 50 0 EFAARN COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccccc2)cc1 ZINC000067198580 215122325 /nfs/dbraw/zinc/12/23/25/215122325.db2.gz NWPLVPPINLAHDG-UHFFFAOYSA-N 0 0 349.390 2.866 50 0 EFAARN COC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000043842265 213598970 /nfs/dbraw/zinc/59/89/70/213598970.db2.gz QLZJFRYOLKOYIU-LLVKDONJSA-N 0 0 325.792 2.519 50 0 EFAARN CCOc1cc2c(cc1NC(=O)CNC(=O)CCC(C)C)O[C@@H](C)C2 ZINC000067149404 215118362 /nfs/dbraw/zinc/11/83/62/215118362.db2.gz QGJIMHQQYICZBP-ZDUSSCGKSA-N 0 0 348.443 2.900 50 0 EFAARN Cc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2N)cc1 ZINC000067240079 215126749 /nfs/dbraw/zinc/12/67/49/215126749.db2.gz BOACBRVOIHUVGH-UHFFFAOYSA-N 0 0 343.337 2.748 50 0 EFAARN CC[C@@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C ZINC000067235903 215127024 /nfs/dbraw/zinc/12/70/24/215127024.db2.gz FXUHBMDDAZREQP-SNVBAGLBSA-N 0 0 336.461 2.621 50 0 EFAARN CCN(CC)Cc1nnc2sc(COc3ccc(C)cc3)nn12 ZINC000067239790 215127090 /nfs/dbraw/zinc/12/70/90/215127090.db2.gz PFKHGYBYKJPELJ-UHFFFAOYSA-N 0 0 331.445 2.915 50 0 EFAARN Cc1cc2nc(SCC(=O)NC(C)(C)C)n(C(C)C)c(=O)c2[nH]1 ZINC000067236108 215127126 /nfs/dbraw/zinc/12/71/26/215127126.db2.gz FNZBOMNAMCGPCY-UHFFFAOYSA-N 0 0 336.461 2.621 50 0 EFAARN CC[C@@H](C)NC(=O)Cn1c(=O)cc(C)nc1Nc1cc(C)cc(C)c1 ZINC000067246341 215127935 /nfs/dbraw/zinc/12/79/35/215127935.db2.gz BWJNCFGWKVDZTL-CQSZACIVSA-N 0 0 342.443 2.827 50 0 EFAARN CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245585 215128313 /nfs/dbraw/zinc/12/83/13/215128313.db2.gz WJNXKNUCFKCIIB-UHFFFAOYSA-N 0 0 344.845 2.586 50 0 EFAARN CCc1ccc(-n2cc(C(=O)NCc3ccccc3OC)nn2)cc1 ZINC000067262064 215129286 /nfs/dbraw/zinc/12/92/86/215129286.db2.gz NNQNLWFAXAJGLT-UHFFFAOYSA-N 0 0 336.395 2.768 50 0 EFAARN O=C(NCc1ccc(F)cc1)c1[nH]nnc1Nc1ccccc1F ZINC000067283772 215130221 /nfs/dbraw/zinc/13/02/21/215130221.db2.gz OPXXEIVHVNPWIH-UHFFFAOYSA-N 0 0 329.310 2.757 50 0 EFAARN Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1F ZINC000067198368 215122977 /nfs/dbraw/zinc/12/29/77/215122977.db2.gz IUOAWDVAEOZSTD-UHFFFAOYSA-N 0 0 337.297 2.886 50 0 EFAARN CC[C@@H](C)n1c(SCC(=O)NC(C)C)nc2cc(C)[nH]c2c1=O ZINC000067239042 215126100 /nfs/dbraw/zinc/12/61/00/215126100.db2.gz YDRGTBQHDGNLCS-LLVKDONJSA-N 0 0 336.461 2.621 50 0 EFAARN COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1F ZINC000067298429 215131495 /nfs/dbraw/zinc/13/14/95/215131495.db2.gz XEDCEGVXWVKAAW-JZJYNLBNSA-N 0 0 328.299 2.617 50 0 EFAARN O=C(NC1CCCCC1)c1sccc1NC(=O)c1cnccn1 ZINC000067335461 215135131 /nfs/dbraw/zinc/13/51/31/215135131.db2.gz BGWJXCADEDJZLD-UHFFFAOYSA-N 0 0 330.413 2.853 50 0 EFAARN O=C([O-])c1ccc(OCCN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000067350878 215135889 /nfs/dbraw/zinc/13/58/89/215135889.db2.gz HCNIBEIVBDWVNQ-UHFFFAOYSA-N 0 0 337.379 2.850 50 0 EFAARN Cn1cc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cn1 ZINC000067433084 215144838 /nfs/dbraw/zinc/14/48/38/215144838.db2.gz BISKXBUFTCJHQW-UHFFFAOYSA-N 0 0 336.395 2.582 50 0 EFAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 ZINC000003264893 209992094 /nfs/dbraw/zinc/99/20/94/209992094.db2.gz OCZPKORCQSNTCL-UHFFFAOYSA-N 0 0 346.433 2.881 50 0 EFAARN COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(F)c(OC)c1F ZINC000067446943 215147023 /nfs/dbraw/zinc/14/70/23/215147023.db2.gz GKIZSWKVDWJXQR-CQSZACIVSA-N 0 0 336.338 2.828 50 0 EFAARN Cn1nccc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067447221 215147460 /nfs/dbraw/zinc/14/74/60/215147460.db2.gz SURJPJCBPMRFLY-PKOBYXMFSA-N 0 0 335.407 2.564 50 0 EFAARN CNC(=O)c1ccc(Cn2ccnc2[C@H]2CCOC(C)(C)C2)cc1 ZINC000067458877 215148900 /nfs/dbraw/zinc/14/89/00/215148900.db2.gz ABZISFAOEQTAPR-INIZCTEOSA-N 0 0 327.428 2.964 50 0 EFAARN O=C(NC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1)NC1CCCC1 ZINC000067514909 215156684 /nfs/dbraw/zinc/15/66/84/215156684.db2.gz BRHXCUIISHDYLP-AWEZNQCLSA-N 0 0 341.459 2.627 50 0 EFAARN CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1csc(C)n1)C2 ZINC000067473448 215152497 /nfs/dbraw/zinc/15/24/97/215152497.db2.gz 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/nfs/dbraw/zinc/17/00/93/215170093.db2.gz MEMKTJSPIWWGQY-UHFFFAOYSA-N 0 0 344.864 2.752 50 0 EFAARN CN(c1ccc(Cl)c(C(=O)NC2CCCCC2)c1)S(C)(=O)=O ZINC000067630261 215170111 /nfs/dbraw/zinc/17/01/11/215170111.db2.gz CAZNFHMDOAJSNY-UHFFFAOYSA-N 0 0 344.864 2.798 50 0 EFAARN CS(=O)(=O)c1ccc(-c2nccn2-c2ccc3c[nH]nc3c2)cc1 ZINC000067641746 215172317 /nfs/dbraw/zinc/17/23/17/215172317.db2.gz BIBHPFHOJYDDED-UHFFFAOYSA-N 0 0 338.392 2.819 50 0 EFAARN COc1ccc(-c2nc(Cn3cnc(C)n3)c(C)o2)c(OC)c1C ZINC000067649123 215173448 /nfs/dbraw/zinc/17/34/48/215173448.db2.gz RCJJJSBQQCPLNI-UHFFFAOYSA-N 0 0 328.372 2.924 50 0 EFAARN CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1Cl ZINC000003085376 209962031 /nfs/dbraw/zinc/96/20/31/209962031.db2.gz BNNBBFIMYJOCNX-UHFFFAOYSA-N 0 0 332.787 2.994 50 0 EFAARN CC(C)(C)c1cc(CN2CCCN(C(=O)c3ccco3)CC2)[nH]n1 ZINC000067673666 215178492 /nfs/dbraw/zinc/17/84/92/215178492.db2.gz AAFXEKMBMZRLCE-UHFFFAOYSA-N 0 0 330.432 2.648 50 0 EFAARN C[C@H](c1cccs1)N(C)C(=O)c1cc(CN2CCC(O)CC2)on1 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FENIVDUEHXYXKN-NHAYFPRASA-N 0 0 341.407 2.625 50 0 biogenic EFAARN CNC(=O)COC(=O)N1CCC(CCc2ccc(Cl)cc2)CC1 ZINC000040861329 213394264 /nfs/dbraw/zinc/39/42/64/213394264.db2.gz JFSSVCSHPDLFCM-UHFFFAOYSA-N 0 0 338.835 2.867 50 0 in-vitro EFAARN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1cccc(F)c1)O2 ZINC000040779180 213385691 /nfs/dbraw/zinc/38/56/91/213385691.db2.gz MFEZIKOVWZUPHF-SFHVURJKSA-N 0 0 328.343 2.540 50 0 EFAARN CC(C)[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@H]1CCO ZINC000104400424 219383601 /nfs/dbraw/zinc/38/36/01/219383601.db2.gz QZVYNVCVELYHPT-GOSISDBHSA-N 0 0 334.508 2.734 50 0 EFAARN COC(=O)[C@](O)(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F ZINC000002071325 209817593 /nfs/dbraw/zinc/81/75/93/209817593.db2.gz VJNUZWXUWLCZJR-CQSZACIVSA-N 0 0 349.305 2.591 50 0 EFAARN O=C1C[C@H](SC(=S)N2CCCCC2)C(=O)N1c1ccccc1 ZINC000002031806 209812557 /nfs/dbraw/zinc/81/25/57/209812557.db2.gz RDSQIVQFGARYNI-ZDUSSCGKSA-N 0 0 334.466 2.823 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 ZINC000069327348 215379054 /nfs/dbraw/zinc/37/90/54/215379054.db2.gz JZSZTXHQUPWOSZ-UHFFFAOYSA-N 0 0 342.418 2.782 50 0 EFAARN CC(C)COC[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1ccco1 ZINC000069349969 215383573 /nfs/dbraw/zinc/38/35/73/215383573.db2.gz BGPAAWRGNAKCNX-AWEZNQCLSA-N 0 0 338.448 2.662 50 0 EFAARN COCCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000001891444 209803585 /nfs/dbraw/zinc/80/35/85/209803585.db2.gz CDBDRQAPZWIBRZ-UHFFFAOYSA-N 0 0 343.379 2.816 50 0 EFAARN O=C(Cc1cccc(F)c1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000069421371 215410620 /nfs/dbraw/zinc/41/06/20/215410620.db2.gz VTQVUZCKMJXIHT-GOSISDBHSA-N 0 0 340.398 2.789 50 0 EFAARN CCCCOc1ccccc1[C@H]1NC(=S)N=C(C)C1C(=O)OC ZINC000005868636 282863893 /nfs/dbraw/zinc/86/38/93/282863893.db2.gz DFNWJFHZQWIUJO-OAHLLOKOSA-N 0 0 334.441 2.831 50 0 EFAARN CCOC(=O)Cn1c2ccccc2n2c1nc(-c1ccccc1)cc2=O ZINC000040485116 213315600 /nfs/dbraw/zinc/31/56/00/213315600.db2.gz WLTGPMJITAFSEI-UHFFFAOYSA-N 0 0 347.374 2.879 50 0 EFAARN CCc1nc2ccccc2c(=O)n1CC(=O)NCCC1=CCCCC1 ZINC000040478652 213313955 /nfs/dbraw/zinc/31/39/55/213313955.db2.gz LVBFQADIVKRFQN-UHFFFAOYSA-N 0 0 339.439 2.966 50 0 EFAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 ZINC000001797074 209795194 /nfs/dbraw/zinc/79/51/94/209795194.db2.gz WKCYTCWQSHPQOE-GFCCVEGCSA-N 0 0 345.424 2.924 50 0 EFAARN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)c1oc2ccc(F)cc2c1C ZINC000069457384 215429091 /nfs/dbraw/zinc/42/90/91/215429091.db2.gz WKJRSSRLDCUCFP-ZWNOBZJWSA-N 0 0 335.379 2.895 50 0 EFAARN COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000040309101 213291245 /nfs/dbraw/zinc/29/12/45/213291245.db2.gz OZLJVDVJDYYZDP-UHFFFAOYSA-N 0 0 343.379 2.770 50 0 biogenic EFAARN COc1ccccc1-c1nn2c(CN3CCCCC3)nnc2s1 ZINC000040287904 213289337 /nfs/dbraw/zinc/28/93/37/213289337.db2.gz LGEOYRVPHVRSGW-UHFFFAOYSA-N 0 0 329.429 2.847 50 0 EFAARN COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-n1cnnn1 ZINC000040283350 213288043 /nfs/dbraw/zinc/28/80/43/213288043.db2.gz AJUDXVNEMCPDLT-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN COc1ccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)cc1OC ZINC000040266508 213286158 /nfs/dbraw/zinc/28/61/58/213286158.db2.gz CWLFHZYJZSEIAM-UHFFFAOYSA-N 0 0 330.384 2.543 50 0 EFAARN COc1ccccc1CNC(=O)CCn1sc2ccccc2c1=O ZINC000040285457 213287679 /nfs/dbraw/zinc/28/76/79/213287679.db2.gz QDHJPEPLFYKCAM-UHFFFAOYSA-N 0 0 342.420 2.778 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000040082794 213259483 /nfs/dbraw/zinc/25/94/83/213259483.db2.gz MBPIUZNTVFRDJT-CYBMUJFWSA-N 0 0 345.374 2.631 50 0 EFAARN COCCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cn1 ZINC000039466090 213237994 /nfs/dbraw/zinc/23/79/94/213237994.db2.gz IYGGHQMXISRRPF-UHFFFAOYSA-N 0 0 326.356 2.866 50 0 EFAARN CC(=O)NCCc1nc2cc(NC(=O)C3CCCCC3)ccc2n1C ZINC000039470241 213237355 /nfs/dbraw/zinc/23/73/55/213237355.db2.gz JKPZANAKKWBCOK-UHFFFAOYSA-N 0 0 342.443 2.771 50 0 EFAARN CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(C)cc1 ZINC000001404416 209741578 /nfs/dbraw/zinc/74/15/78/209741578.db2.gz FTFBFZGDBCGYDR-IRXDYDNUSA-N 0 0 336.391 2.792 50 0 EFAARN O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccc[nH]c1=O ZINC000038754719 213224756 /nfs/dbraw/zinc/22/47/56/213224756.db2.gz HFOCPZLAMJAEBP-UHFFFAOYSA-N 0 0 335.319 2.706 50 0 EFAARN O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@@H]1CCCO1 ZINC000001065967 209707373 /nfs/dbraw/zinc/70/73/73/209707373.db2.gz LCIZNURUWMASGP-INIZCTEOSA-N 0 0 342.395 2.733 50 0 EFAARN Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccs2)cc1 ZINC000001058036 209704468 /nfs/dbraw/zinc/70/44/68/209704468.db2.gz POFDDKHVGCHBEF-UHFFFAOYSA-N 0 0 330.438 2.882 50 0 EFAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2N2C(=O)CSC2=O)c(C)o1 ZINC000038679806 213221040 /nfs/dbraw/zinc/22/10/40/213221040.db2.gz LBAMHQSFIDYIKL-CHWSQXEVSA-N 0 0 336.413 2.633 50 0 EFAARN CC(=O)Nc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000973444 209697177 /nfs/dbraw/zinc/69/71/77/209697177.db2.gz ZZCFFEXYVDMOLQ-UHFFFAOYSA-N 0 0 346.408 2.695 50 0 EFAARN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)OC ZINC000000902818 209694756 /nfs/dbraw/zinc/69/47/56/209694756.db2.gz LAMSCJTWZUYEPQ-UHFFFAOYSA-N 0 0 335.429 2.759 50 0 EFAARN O=C(CSc1ncn(-c2ccccc2)n1)N1CCc2ccccc21 ZINC000000620366 209683483 /nfs/dbraw/zinc/68/34/83/209683483.db2.gz XGSJFTRUIZDPHO-UHFFFAOYSA-N 0 0 336.420 2.949 50 0 EFAARN COc1cccc(C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)c1 ZINC000000613398 209678208 /nfs/dbraw/zinc/67/82/08/209678208.db2.gz BQGLGWCJTINBQO-UHFFFAOYSA-N 0 0 339.347 2.876 50 0 EFAARN O=C(c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1)N1CCCCC1 ZINC000000612032 209677740 /nfs/dbraw/zinc/67/77/40/209677740.db2.gz FYTZBYFGLNUQRG-INIZCTEOSA-N 0 0 347.484 2.778 50 0 EFAARN O=C(NC(=S)NC[C@H]1OCCc2ccccc21)c1ccccc1 ZINC000000612602 209676892 /nfs/dbraw/zinc/67/68/92/209676892.db2.gz METHSMHAQHOJQA-MRXNPFEDSA-N 0 0 326.421 2.605 50 0 EFAARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)cc1F ZINC000000614461 209679735 /nfs/dbraw/zinc/67/97/35/209679735.db2.gz KTFJSKIITFTJGW-OAHLLOKOSA-N 0 0 347.317 2.928 50 0 EFAARN Cc1ccccc1CN1C[C@H](c2noc(-c3ccccn3)n2)CC1=O ZINC000038671007 213219051 /nfs/dbraw/zinc/21/90/51/213219051.db2.gz DJTQEDMYRBFQDV-OAHLLOKOSA-N 0 0 334.379 2.956 50 0 EFAARN CC(C)(C)c1noc([C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)C2)n1 ZINC000038671106 213218850 /nfs/dbraw/zinc/21/88/50/213218850.db2.gz HTOZVDROZFXTKR-GFCCVEGCSA-N 0 0 343.383 2.612 50 0 EFAARN O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1CCc1cccs1 ZINC000038671164 213219013 /nfs/dbraw/zinc/21/90/13/213219013.db2.gz JVNVBUOHKQMMGA-GFCCVEGCSA-N 0 0 340.408 2.752 50 0 EFAARN CCc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000000614259 209678838 /nfs/dbraw/zinc/67/88/38/209678838.db2.gz LFDHTYMBBFOPMW-UHFFFAOYSA-N 0 0 335.425 2.745 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2Cl)c1 ZINC000000609880 209674685 /nfs/dbraw/zinc/67/46/85/209674685.db2.gz GBUOMBPVOTYCOI-UHFFFAOYSA-N 0 0 341.816 2.836 50 0 EFAARN O=C([O-])CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)CCCCC1 ZINC000055358225 304043810 /nfs/dbraw/zinc/04/38/10/304043810.db2.gz RGWJJIUJEYZPIZ-OAHLLOKOSA-N 0 0 348.443 2.785 50 0 EFAARN CCN(CC)C(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O ZINC000000582572 209672722 /nfs/dbraw/zinc/67/27/22/209672722.db2.gz FYMJYWRRUSQSBY-LBPRGKRZSA-N 0 0 332.425 2.605 50 0 EFAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccnc1 ZINC000000534432 209654044 /nfs/dbraw/zinc/65/40/44/209654044.db2.gz WQSCNQPHEUGDBK-HNNXBMFYSA-N 0 0 337.162 2.801 50 0 EFAARN COc1ccc2[nH]c3c(ncn(Cc4ccc5c(c4)OCO5)c3=O)c2c1 ZINC000000519828 209643818 /nfs/dbraw/zinc/64/38/18/209643818.db2.gz CTMHKBBDJUWFCN-UHFFFAOYSA-N 0 0 349.346 2.663 50 0 biogenic EFAARN CC(=O)N1[C@H](c2ccccc2)CC(=O)O[C@H]1c1ccc2c(c1)OCO2 ZINC000000489423 209632447 /nfs/dbraw/zinc/63/24/47/209632447.db2.gz GTCXRHKYOKPUID-KXBFYZLASA-N 0 0 339.347 2.951 50 0 biogenic EFAARN O=C(COc1ccc(CO)cc1Br)Nc1ccccc1 ZINC000000470609 209622307 /nfs/dbraw/zinc/62/23/07/209622307.db2.gz XVNPFNRJJILLKP-UHFFFAOYSA-N 0 0 336.185 2.959 50 0 EFAARN Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1C ZINC000000462976 209616218 /nfs/dbraw/zinc/61/62/18/209616218.db2.gz XRNIJARUAYQRKT-UHFFFAOYSA-N 0 0 327.409 2.529 50 0 EFAARN Cc1cccc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000036705948 213111118 /nfs/dbraw/zinc/11/11/18/213111118.db2.gz XZAFAYBFANYSQY-UHFFFAOYSA-N 0 0 348.450 2.758 50 0 EFAARN COc1ccc(NC(=S)NC(=O)c2ccccc2OC)c(OC)c1 ZINC000000455034 209611223 /nfs/dbraw/zinc/61/12/23/209611223.db2.gz IQRKLFQYIMFORU-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN Cc1nnsc1C(=O)N1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708721 213112092 /nfs/dbraw/zinc/11/20/92/213112092.db2.gz YMKUMJKRUVCUOI-UHFFFAOYSA-N 0 0 341.440 2.749 50 0 EFAARN O=C(CN1CCC(Cn2cnc3ccccc32)CC1)Nc1ccccn1 ZINC000036708907 213111762 /nfs/dbraw/zinc/11/17/62/213111762.db2.gz OXNPAMJKPKAAKP-UHFFFAOYSA-N 0 0 349.438 2.782 50 0 EFAARN C[C@@H]1Nc2ncnn2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccccc1 ZINC000036701727 213111660 /nfs/dbraw/zinc/11/16/60/213111660.db2.gz GSRTUIYGCDJEQG-CQDKDKBSSA-N 0 0 339.424 2.998 50 0 EFAARN Cc1nnsc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000036689003 213110063 /nfs/dbraw/zinc/11/00/63/213110063.db2.gz ZDAZOXHCPWRWOU-UHFFFAOYSA-N 0 0 346.393 2.951 50 0 EFAARN CCCCOc1ccc(S(=O)(=O)NCCCO)c2ccccc12 ZINC000036638912 213106857 /nfs/dbraw/zinc/10/68/57/213106857.db2.gz VPAXQSHHRYTICT-UHFFFAOYSA-N 0 0 337.441 2.679 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000000449447 209607116 /nfs/dbraw/zinc/60/71/16/209607116.db2.gz JCBXXFOOYAEMED-OAHLLOKOSA-N 0 0 334.441 2.830 50 0 EFAARN CN(Cc1c(Cl)cnn1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036615343 213102571 /nfs/dbraw/zinc/10/25/71/213102571.db2.gz FKZDKFVTQCOZGV-UHFFFAOYSA-N 0 0 334.228 2.548 50 0 EFAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000036615187 213102472 /nfs/dbraw/zinc/10/24/72/213102472.db2.gz ANSQJRUXYQCXBM-CQSZACIVSA-N 0 0 348.790 2.792 50 0 EFAARN COc1ccc(-c2cc(C(=O)N3CCCC3)c3cnn(C)c3n2)cc1 ZINC000036613611 213102064 /nfs/dbraw/zinc/10/20/64/213102064.db2.gz GOIBLMGMJQBYLY-UHFFFAOYSA-N 0 0 336.395 2.880 50 0 EFAARN CC[C@H](C)[C@@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)OC ZINC000036579855 213101011 /nfs/dbraw/zinc/10/10/11/213101011.db2.gz BPQOOMXUVZOROA-YVEFUNNKSA-N 0 0 343.427 2.823 50 0 EFAARN CC[C@@H](C)[C@@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)OC ZINC000036579854 213100257 /nfs/dbraw/zinc/10/02/57/213100257.db2.gz BPQOOMXUVZOROA-SJKOYZFVSA-N 0 0 343.427 2.823 50 0 EFAARN COc1ccc(NCc2nn(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000036559163 213099179 /nfs/dbraw/zinc/09/91/79/213099179.db2.gz ZUGQSCRGPBEDQM-UHFFFAOYSA-N 0 0 344.802 2.894 50 0 EFAARN CC(C)CCN1C[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1=O ZINC000036369973 213091964 /nfs/dbraw/zinc/09/19/64/213091964.db2.gz NRNPXTSIXXFVPP-CQSZACIVSA-N 0 0 342.395 2.626 50 0 biogenic EFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2n1C ZINC000036370090 213091673 /nfs/dbraw/zinc/09/16/73/213091673.db2.gz LSYMEUUBRCNMBD-INIZCTEOSA-N 0 0 336.391 2.692 50 0 biogenic EFAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1noc2c1CCCCC2 ZINC000036367355 213091347 /nfs/dbraw/zinc/09/13/47/213091347.db2.gz HTZDSOXVSCAHDU-LLVKDONJSA-N 0 0 334.401 2.899 50 0 EFAARN COc1ccccc1Nc1nc2ncc3c(c2c(=O)[nH]1)CCCC3=O ZINC000036365143 213090579 /nfs/dbraw/zinc/09/05/79/213090579.db2.gz YQWUFMGAUGMHES-UHFFFAOYSA-N 0 0 336.351 2.589 50 0 EFAARN O=C(Nc1ccccn1)c1ccc(Cn2cnc3ccccc3c2=O)o1 ZINC000036358495 213089464 /nfs/dbraw/zinc/08/94/64/213089464.db2.gz STDHDGZMUNXCTJ-UHFFFAOYSA-N 0 0 346.346 2.685 50 0 EFAARN Cc1nnc(NC(=O)CCCn2sc3ccccc3c2=O)s1 ZINC000036357858 213088696 /nfs/dbraw/zinc/08/86/96/213088696.db2.gz RNCIJLFVLIYQDU-UHFFFAOYSA-N 0 0 334.426 2.642 50 0 EFAARN COCc1nnc(NC(=O)CCn2ccc3ccc(F)cc32)s1 ZINC000036354792 213088495 /nfs/dbraw/zinc/08/84/95/213088495.db2.gz CKDAIARJLXGPMY-UHFFFAOYSA-N 0 0 334.376 2.807 50 0 EFAARN O=C(CCCn1cnc2ccccc2c1=O)NCCc1ccccc1 ZINC000036353700 213087893 /nfs/dbraw/zinc/08/78/93/213087893.db2.gz WAGHZOOTQPACNW-UHFFFAOYSA-N 0 0 335.407 2.536 50 0 EFAARN CCOC(=O)CC1=CSc2nnc(-c3ccc(Cl)cc3)n2N1 ZINC000000445125 209603644 /nfs/dbraw/zinc/60/36/44/209603644.db2.gz KNIFJPVNONZEMF-UHFFFAOYSA-N 0 0 336.804 2.862 50 0 EFAARN Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)C1CCCCC1 ZINC000070636744 215701139 /nfs/dbraw/zinc/70/11/39/215701139.db2.gz KXEDGOPUBIYOOX-CQSZACIVSA-N 0 0 331.865 2.868 50 0 EFAARN COc1cccc(C(=O)CSc2ccc(-n3cccn3)nn2)c1 ZINC000070635234 215700345 /nfs/dbraw/zinc/70/03/45/215700345.db2.gz ZDUUJSZWKKOEKW-UHFFFAOYSA-N 0 0 326.381 2.646 50 0 EFAARN Cc1cccc(CS(=O)(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000036078180 213060988 /nfs/dbraw/zinc/06/09/88/213060988.db2.gz VMIVSIBCRXFMGU-GOSISDBHSA-N 0 0 332.469 2.717 50 0 EFAARN COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000036076023 213059845 /nfs/dbraw/zinc/05/98/45/213059845.db2.gz NRHRLGXFOIJMMH-QGZVFWFLSA-N 0 0 327.380 2.918 50 0 EFAARN CCOC(=O)N1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000000441090 209601682 /nfs/dbraw/zinc/60/16/82/209601682.db2.gz HWTVGPBHEGOEKU-UHFFFAOYSA-N 0 0 342.395 2.519 50 0 EFAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C ZINC000000437865 209600104 /nfs/dbraw/zinc/60/01/04/209600104.db2.gz GFDIHVUILJTFLA-UHFFFAOYSA-N 0 0 347.440 2.673 50 0 EFAARN O=C(CN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000035598340 213041932 /nfs/dbraw/zinc/04/19/32/213041932.db2.gz JIIPKSFEMOAREV-UHFFFAOYSA-N 0 0 334.423 2.563 50 0 EFAARN O=C(NCc1ccccc1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC1 ZINC000035606267 213041102 /nfs/dbraw/zinc/04/11/02/213041102.db2.gz NDCQTUMBHVRMMC-MSOLQXFVSA-N 0 0 326.440 2.898 50 0 EFAARN Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c(C)o1 ZINC000035598262 213041035 /nfs/dbraw/zinc/04/10/35/213041035.db2.gz LZJLMVMQPAJLIU-UHFFFAOYSA-N 0 0 338.411 2.731 50 0 EFAARN COC(=O)c1sc(NC(=O)/C=C/c2ccco2)c(C(=O)OC)c1C ZINC000000434023 209598995 /nfs/dbraw/zinc/59/89/95/209598995.db2.gz OHQPNSGEGDASHD-VOTSOKGWSA-N 0 0 349.364 2.875 50 0 EFAARN CN(C)c1nc2nonc2nc1Nc1cccc(Br)c1 ZINC000035476010 213031553 /nfs/dbraw/zinc/03/15/53/213031553.db2.gz HQWIDHJJBFHEHX-UHFFFAOYSA-N 0 0 335.165 2.585 50 0 EFAARN CCCCNC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(C)cc23)C1 ZINC000035476056 213031348 /nfs/dbraw/zinc/03/13/48/213031348.db2.gz QIBQQJPXMOWRCM-INIZCTEOSA-N 0 0 341.455 2.784 50 0 EFAARN O=C(CCn1cnc2c3ccccc3[nH]c2c1=O)Nc1ccccc1 ZINC000035423847 213026769 /nfs/dbraw/zinc/02/67/69/213026769.db2.gz ALWWDQWDQBBZTL-UHFFFAOYSA-N 0 0 332.363 2.907 50 0 EFAARN O=S(=O)(c1ccccc1)N1CCN(CCCc2ccccc2)CC1 ZINC000035366121 213023697 /nfs/dbraw/zinc/02/36/97/213023697.db2.gz LBJHAZDENWNBPC-UHFFFAOYSA-N 0 0 344.480 2.626 50 0 EFAARN CCNc1nc2c(s1)[C@H](c1ccc(C(=O)OC)cc1)CC(=O)N2 ZINC000035324922 213021617 /nfs/dbraw/zinc/02/16/17/213021617.db2.gz GFJSPEKDGVGOGC-NSHDSACASA-N 0 0 331.397 2.836 50 0 EFAARN COCCNC(=O)c1cc(N[C@@H]2CCCc3sc(C)nc32)ccn1 ZINC000071498646 215782453 /nfs/dbraw/zinc/78/24/53/215782453.db2.gz KSWQSFKERHZFHW-CYBMUJFWSA-N 0 0 346.456 2.712 50 0 EFAARN CN(C(=O)CN1CCO[C@@H](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000071735784 215800467 /nfs/dbraw/zinc/80/04/67/215800467.db2.gz ZMOHECKVFXJACB-IBGZPJMESA-N 0 0 342.414 2.732 50 0 EFAARN CCc1nccn1CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071738486 215800650 /nfs/dbraw/zinc/80/06/50/215800650.db2.gz VJGBNWUTZMLFST-HNNXBMFYSA-N 0 0 333.819 2.699 50 0 EFAARN COc1ccc2cc([C@H]3CN(c4nccc(N)n4)CCO3)ccc2c1 ZINC000071748497 215804205 /nfs/dbraw/zinc/80/42/05/215804205.db2.gz FLEOHCMGWZABTJ-QGZVFWFLSA-N 0 0 336.395 2.799 50 0 EFAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000071752837 215810007 /nfs/dbraw/zinc/81/00/07/215810007.db2.gz SQOZLZFCAZUDMT-INIZCTEOSA-N 0 0 349.438 2.918 50 0 EFAARN O=C(Cc1csc(COc2ccccc2)n1)NCc1ccccn1 ZINC000033326159 212926124 /nfs/dbraw/zinc/92/61/24/212926124.db2.gz VUPIUKFNTCRIQT-UHFFFAOYSA-N 0 0 339.420 2.976 50 0 EFAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 ZINC000000422163 209584383 /nfs/dbraw/zinc/58/43/83/209584383.db2.gz SSXMEXIAHLCFIC-UHFFFAOYSA-N 0 0 325.397 2.702 50 0 EFAARN O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006730682 295988236 /nfs/dbraw/zinc/98/82/36/295988236.db2.gz QVLAYGXJFWHKFA-UQVLAFNGSA-N 0 0 348.487 2.600 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1 ZINC000000418361 209582041 /nfs/dbraw/zinc/58/20/41/209582041.db2.gz RGWXOGSVWRDXEI-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN CCc1nc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)no1 ZINC000032587144 212814192 /nfs/dbraw/zinc/81/41/92/212814192.db2.gz MWAXKCKETXEJQH-SECBINFHSA-N 0 0 330.413 2.577 50 0 EFAARN CCN1C[C@@H](C(=O)NCc2cccc(Oc3ccccc3)c2)CC1=O ZINC000032362796 212798038 /nfs/dbraw/zinc/79/80/38/212798038.db2.gz CUNPVJPOKLSQSS-INIZCTEOSA-N 0 0 338.407 2.964 50 0 EFAARN CC(=O)c1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc12 ZINC000032123800 212791480 /nfs/dbraw/zinc/79/14/80/212791480.db2.gz GNGKXAUVERBWFY-UHFFFAOYSA-N 0 0 335.363 2.582 50 0 biogenic EFAARN CCc1ocnc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072128303 216019824 /nfs/dbraw/zinc/01/98/24/216019824.db2.gz IHSYCVZUVVRTOP-QGZVFWFLSA-N 0 0 339.439 2.552 50 0 EFAARN COc1cc(F)ccc1C(=O)C[C@@]1(O)C(=O)Nc2c1cccc2Cl ZINC000032094834 212787348 /nfs/dbraw/zinc/78/73/48/212787348.db2.gz QRKPPCSJLNVHGW-KRWDZBQOSA-N 0 0 349.745 2.900 50 0 EFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccccc1F ZINC000032091364 212786861 /nfs/dbraw/zinc/78/68/61/212786861.db2.gz UGDOJHBLXVUISJ-AWEZNQCLSA-N 0 0 327.315 2.555 50 0 EFAARN C[C@H](Cc1cnccn1)Nc1nc(C2CCCC2)nc2c1cnn2C ZINC000072120763 216014061 /nfs/dbraw/zinc/01/40/61/216014061.db2.gz JCQVLGQBDXKBIA-GFCCVEGCSA-N 0 0 337.431 2.854 50 0 EFAARN O=C(c1ccccn1)[C@@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000072122441 216015279 /nfs/dbraw/zinc/01/52/79/216015279.db2.gz PFUHVQQLBQDDJD-MRXNPFEDSA-N 0 0 347.422 2.757 50 0 EFAARN CC(C)n1c(=O)c2sccc2n(CC(=O)c2ccccc2)c1=O ZINC000032071532 212784230 /nfs/dbraw/zinc/78/42/30/212784230.db2.gz HAWOFXQJUFAVJR-UHFFFAOYSA-N 0 0 328.393 2.689 50 0 EFAARN O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1CN1CCOCC1 ZINC000072127086 216017877 /nfs/dbraw/zinc/01/78/77/216017877.db2.gz SIONCDBEGVWGGP-CQSZACIVSA-N 0 0 339.386 2.683 50 0 EFAARN O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1CN1CCOCC1 ZINC000072127087 216018185 /nfs/dbraw/zinc/01/81/85/216018185.db2.gz SIONCDBEGVWGGP-AWEZNQCLSA-N 0 0 339.386 2.683 50 0 EFAARN O=C1C[C@H](Cn2ccnc2-c2nc3c(s2)CCCC3)CN1C1CC1 ZINC000072141846 216027251 /nfs/dbraw/zinc/02/72/51/216027251.db2.gz NTRUGCJFECXJBL-GFCCVEGCSA-N 0 0 342.468 2.896 50 0 EFAARN CN1C[C@@]2(CCCN(C(=O)Nc3ccc(Cl)nc3)CC2)OC1=O ZINC000072134700 216023081 /nfs/dbraw/zinc/02/30/81/216023081.db2.gz CSVPEQOTZURWND-HNNXBMFYSA-N 0 0 338.795 2.574 50 0 EFAARN CCc1nc2c(cnn2C)c(NCCc2cnn(-c3ccccc3)c2)n1 ZINC000072135135 216023280 /nfs/dbraw/zinc/02/32/80/216023280.db2.gz BUFQMXSJQBTACM-UHFFFAOYSA-N 0 0 347.426 2.766 50 0 EFAARN COCCn1cncc1CN1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000072137342 216024464 /nfs/dbraw/zinc/02/44/64/216024464.db2.gz LOMUIVMPJMJBSI-GOSISDBHSA-N 0 0 341.455 2.553 50 0 EFAARN CCCc1nc2c(cnn2C)c(NCCSc2nnc(C)s2)n1 ZINC000072143647 216028956 /nfs/dbraw/zinc/02/89/56/216028956.db2.gz HFDYEGJZBISUNK-UHFFFAOYSA-N 0 0 349.489 2.680 50 0 EFAARN O=C(N1CCOCC1)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072143788 216029225 /nfs/dbraw/zinc/02/92/25/216029225.db2.gz ZVXTYTFVCLMYDA-OAHLLOKOSA-N 0 0 332.379 2.681 50 0 EFAARN COC(=O)N1[C@@H]2C[C@](C)(Br)[C@@](C)(Br)C[C@@H]21 ZINC000216341380 291189441 /nfs/dbraw/zinc/18/94/41/291189441.db2.gz UMWVRFNGHWUNIB-OFKVWQDRSA-N 0 0 341.043 2.907 50 0 EFAARN Cc1nnnn1-c1cccc(OCc2nc(CCC(C)C)no2)c1 ZINC000072146312 216033632 /nfs/dbraw/zinc/03/36/32/216033632.db2.gz JYEJMYRRKQKFLA-UHFFFAOYSA-N 0 0 328.376 2.521 50 0 EFAARN O=C(C1CC1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072146949 216034410 /nfs/dbraw/zinc/03/44/10/216034410.db2.gz UKVVWKHUORGNKS-ZTFGCOKTSA-N 0 0 332.394 2.763 50 0 EFAARN O=S(=O)(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 ZINC000072152737 216041098 /nfs/dbraw/zinc/04/10/98/216041098.db2.gz CRPBWWCPFCBHDF-MRXNPFEDSA-N 0 0 348.443 2.769 50 0 EFAARN Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000072148832 216036280 /nfs/dbraw/zinc/03/62/80/216036280.db2.gz MMAVFZLTCKOYIW-OAHLLOKOSA-N 0 0 329.375 2.539 50 0 EFAARN COc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000072149178 216036336 /nfs/dbraw/zinc/03/63/36/216036336.db2.gz BRAFNMAPSOFGRR-KRWDZBQOSA-N 0 0 347.459 2.804 50 0 EFAARN Cc1ccc(F)cc1NC(=O)[C@H](C)NC(=O)c1cccc2ccnn21 ZINC000072148852 216037003 /nfs/dbraw/zinc/03/70/03/216037003.db2.gz PPJGCFGHMLXKQE-LBPRGKRZSA-N 0 0 340.358 2.539 50 0 EFAARN CCc1nc2c(cnn2C)c(NCC2(O)C3CC4CC(C3)CC2C4)n1 ZINC000072149601 216037006 /nfs/dbraw/zinc/03/70/06/216037006.db2.gz ONKPLAJVVNUYON-UHFFFAOYSA-N 0 0 341.459 2.525 50 0 EFAARN Cc1nc(S(=O)(=O)N2CCCC[C@H]2CCc2ccccc2)cn1C ZINC000072154867 216043291 /nfs/dbraw/zinc/04/32/91/216043291.db2.gz ZWZBPJFXUYYUSC-KRWDZBQOSA-N 0 0 347.484 2.905 50 0 EFAARN C[C@H](Cn1cncn1)Nc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072154152 216044633 /nfs/dbraw/zinc/04/46/33/216044633.db2.gz IRUGOKKESZGVLQ-GFCCVEGCSA-N 0 0 337.362 2.628 50 0 EFAARN Cc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000072156570 216045165 /nfs/dbraw/zinc/04/51/65/216045165.db2.gz GMOJBWLRNUWHOS-QGZVFWFLSA-N 0 0 340.398 2.973 50 0 EFAARN CN(CCc1ccncc1)C(=O)Cc1csc(-c2ccncc2)n1 ZINC000031864949 212754097 /nfs/dbraw/zinc/75/40/97/212754097.db2.gz QZTZDVMSWQMNBP-UHFFFAOYSA-N 0 0 338.436 2.844 50 0 EFAARN CC(C)C[C@H](O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1 ZINC000072165303 216054077 /nfs/dbraw/zinc/05/40/77/216054077.db2.gz OAUSJPPHMLBBSZ-SFHVURJKSA-N 0 0 333.476 2.843 50 0 EFAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(c2ccncc2)C1 ZINC000072163229 216051163 /nfs/dbraw/zinc/05/11/63/216051163.db2.gz LQSIGZFLKLWVNH-UHFFFAOYSA-N 0 0 342.342 2.889 50 0 EFAARN CCCc1nc(C)c(CNC(=O)c2cn(-c3ccccc3)nn2)s1 ZINC000072170004 216061100 /nfs/dbraw/zinc/06/11/00/216061100.db2.gz BRZQPVSDOCJSHN-UHFFFAOYSA-N 0 0 341.440 2.915 50 0 EFAARN CC(C)c1cncnc1N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072172878 216063346 /nfs/dbraw/zinc/06/33/46/216063346.db2.gz MUOOAKINFNMLQO-MRXNPFEDSA-N 0 0 342.418 2.995 50 0 EFAARN CNc1nc(CN2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cs1 ZINC000072174012 216065157 /nfs/dbraw/zinc/06/51/57/216065157.db2.gz HLRBRMLOSJQUQB-OAHLLOKOSA-N 0 0 336.505 2.654 50 0 EFAARN Cc1cccn2c(=O)cc(OC(=O)COc3ccc(Cl)cc3)nc12 ZINC000072238662 216077758 /nfs/dbraw/zinc/07/77/58/216077758.db2.gz KDHKIZMEACQWNB-UHFFFAOYSA-N 0 0 344.754 2.641 50 0 EFAARN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC(=O)N1Cc1ccco1 ZINC000072239647 216078505 /nfs/dbraw/zinc/07/85/05/216078505.db2.gz MZCYBVZPYHVPGA-MSOLQXFVSA-N 0 0 338.407 2.964 50 0 EFAARN CN1C(=O)CC[C@@H](C(=O)Nc2nccs2)[C@H]1c1cccc(F)c1 ZINC000072241927 216080516 /nfs/dbraw/zinc/08/05/16/216080516.db2.gz OZENRJBPWUWHGW-TZMCWYRMSA-N 0 0 333.388 2.830 50 0 EFAARN Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccc(F)c2)o1 ZINC000072241963 216081111 /nfs/dbraw/zinc/08/11/11/216081111.db2.gz SKWDVHCTYJBPGY-FUHWJXTLSA-N 0 0 344.386 2.953 50 0 EFAARN CCOC(=O)CC1(NCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000072267136 216087622 /nfs/dbraw/zinc/08/76/22/216087622.db2.gz JAHFVZMWBIEBOL-UHFFFAOYSA-N 0 0 348.443 2.719 50 0 EFAARN O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000072270678 216092866 /nfs/dbraw/zinc/09/28/66/216092866.db2.gz FNXBYJIFINJEEW-PXNSSMCTSA-N 0 0 338.455 2.857 50 0 EFAARN Cc1cn2nc(N3CCC[C@@H](c4noc(C(C)C)n4)C3)sc2n1 ZINC000072279246 216106537 /nfs/dbraw/zinc/10/65/37/216106537.db2.gz VRXYXGHCANMEEQ-LLVKDONJSA-N 0 0 332.433 2.990 50 0 EFAARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)cc1 ZINC000000405349 209571714 /nfs/dbraw/zinc/57/17/14/209571714.db2.gz SDPCYPMVZZPJDG-OAHLLOKOSA-N 0 0 329.327 2.789 50 0 EFAARN Cn1c(=O)c2ccccc2nc1SCc1nc2n(n1)CCCCC2 ZINC000000401045 209570101 /nfs/dbraw/zinc/57/01/01/209570101.db2.gz YLYMKFDTXHSYEX-UHFFFAOYSA-N 0 0 341.440 2.544 50 0 EFAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000000384589 209562617 /nfs/dbraw/zinc/56/26/17/209562617.db2.gz SROGOYRVTGUYED-GHMZBOCLSA-N 0 0 333.837 2.537 50 0 EFAARN CN(C)c1nc(N)nc(CSc2nc3cc(Cl)ccc3o2)n1 ZINC000000381918 209561090 /nfs/dbraw/zinc/56/10/90/209561090.db2.gz CHMSYJVOAKTWCI-UHFFFAOYSA-N 0 0 336.808 2.607 50 0 EFAARN COc1ccc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC ZINC000000364496 209552296 /nfs/dbraw/zinc/55/22/96/209552296.db2.gz OPHIUAMAEVXVAI-UHFFFAOYSA-N 0 0 343.335 2.887 50 0 EFAARN COC(=O)c1c2ccccn2c(C(=O)c2ccccc2)c1C(=O)OC ZINC000000337439 209540916 /nfs/dbraw/zinc/54/09/16/209540916.db2.gz NYCCPNYGJLLDBX-UHFFFAOYSA-N 0 0 337.331 2.744 50 0 EFAARN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 ZINC000000307115 209527019 /nfs/dbraw/zinc/52/70/19/209527019.db2.gz OUQUMWGEIOCMRU-INIZCTEOSA-N 0 0 337.375 2.774 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000304012 209525339 /nfs/dbraw/zinc/52/53/39/209525339.db2.gz OUQAHEKLHQVSHU-UHFFFAOYSA-N 0 0 345.207 2.893 50 0 EFAARN CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccccc2)N1 ZINC000000274580 209514899 /nfs/dbraw/zinc/51/48/99/209514899.db2.gz PCOXPHFBPAXADR-AWEZNQCLSA-N 0 0 330.306 2.705 50 0 EFAARN O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCCC1 ZINC000000254253 209506149 /nfs/dbraw/zinc/50/61/49/209506149.db2.gz DLBNHBAKAZRETQ-UHFFFAOYSA-N 0 0 339.424 2.506 50 0 EFAARN CC(=O)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000000246573 209501922 /nfs/dbraw/zinc/50/19/22/209501922.db2.gz LJPUJNSQKPKBMW-KRWDZBQOSA-N 0 0 336.476 2.776 50 0 EFAARN Cn1c(=O)cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000072325953 216152122 /nfs/dbraw/zinc/15/21/22/216152122.db2.gz SEWDULGEZNTWSJ-UHFFFAOYSA-N 0 0 345.402 2.992 50 0 biogenic EFAARN O=C(COC(=O)Cc1cccs1)NCc1ccc(F)cc1Cl ZINC000072330857 216154763 /nfs/dbraw/zinc/15/47/63/216154763.db2.gz SYLBMBNOWMNCLE-UHFFFAOYSA-N 0 0 341.791 2.943 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc(C)c1 ZINC000072331130 216154780 /nfs/dbraw/zinc/15/47/80/216154780.db2.gz BSRRCJJICQWQRQ-UHFFFAOYSA-N 0 0 341.363 2.506 50 0 EFAARN COc1ccc(CNC(=O)c2ccc(OC)cc2OC)c(OC)c1 ZINC000072331525 216155096 /nfs/dbraw/zinc/15/50/96/216155096.db2.gz DWXAGSLXKRUUMJ-UHFFFAOYSA-N 0 0 331.368 2.651 50 0 EFAARN Cc1cc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)no1 ZINC000072333595 216156077 /nfs/dbraw/zinc/15/60/77/216156077.db2.gz IJOUIVPRKZCNQH-UHFFFAOYSA-N 0 0 331.332 2.867 50 0 EFAARN O=C(COC(=O)c1ccccc1)NCc1ccc(Br)cc1 ZINC000072333787 216156267 /nfs/dbraw/zinc/15/62/67/216156267.db2.gz GKXWZNFYVUTARU-UHFFFAOYSA-N 0 0 348.196 2.922 50 0 EFAARN COc1cccc([C@@H]2C[C@H](c3cccc(F)c3)n3nnnc3N2)c1 ZINC000000222433 209494051 /nfs/dbraw/zinc/49/40/51/209494051.db2.gz ASRBMUQEZSXELU-JKSUJKDBSA-N 0 0 325.347 2.967 50 0 EFAARN COc1ccc(-c2nc(N)n(C(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000000205353 209483649 /nfs/dbraw/zinc/48/36/49/209483649.db2.gz YZSQYJUMRAMYLO-UHFFFAOYSA-N 0 0 328.759 2.878 50 0 EFAARN COc1cc(=O)n(C)c2c(OC[C@H]3OC(C)(C)OC3(C)C)cccc12 ZINC000000199407 209479816 /nfs/dbraw/zinc/47/98/16/209479816.db2.gz HFXBOPGUQAUMHA-OAHLLOKOSA-N 0 0 347.411 2.856 50 0 biogenic EFAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1OC ZINC000000187695 209471878 /nfs/dbraw/zinc/47/18/78/209471878.db2.gz YSZJQZKAXVXPHR-LLVKDONJSA-N 0 0 345.182 2.803 50 0 EFAARN COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(N)=O)cc1 ZINC000000169180 209462161 /nfs/dbraw/zinc/46/21/61/209462161.db2.gz IEUMDKBPWMQASY-XNTDXEJSSA-N 0 0 330.771 2.605 50 0 biogenic EFAARN COc1ccc(C(=O)CN2c3ccccc3N3CCN=C23)cc1OC ZINC000000178675 209467763 /nfs/dbraw/zinc/46/77/63/209467763.db2.gz FAOSFYCNIRVKSA-UHFFFAOYSA-N 0 0 337.379 2.583 50 0 EFAARN O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCOCC1 ZINC000000178853 209467636 /nfs/dbraw/zinc/46/76/36/209467636.db2.gz QADGESUCCKCDGF-UHFFFAOYSA-N 0 0 335.363 2.876 50 0 EFAARN Cn1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2c1=O ZINC000072403703 216195166 /nfs/dbraw/zinc/19/51/66/216195166.db2.gz YGEZCPOBAXONKU-IBGZPJMESA-N 0 0 348.402 2.752 50 0 EFAARN COc1ccc(Cc2nn3c(nnc3-c3snnc3C)s2)cc1 ZINC000072404804 216195895 /nfs/dbraw/zinc/19/58/95/216195895.db2.gz GKEQNBQMSONRCM-UHFFFAOYSA-N 0 0 344.425 2.612 50 0 EFAARN Cn1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn32)cn1 ZINC000072405882 216196566 /nfs/dbraw/zinc/19/65/66/216196566.db2.gz CQMXRXGOQANKDF-UHFFFAOYSA-N 0 0 330.804 2.831 50 0 EFAARN COc1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)c(OC)c1 ZINC000072406376 216197151 /nfs/dbraw/zinc/19/71/51/216197151.db2.gz HASGCJCHOLGLBR-UHFFFAOYSA-N 0 0 338.363 2.808 50 0 EFAARN COC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000000145832 209449649 /nfs/dbraw/zinc/44/96/49/209449649.db2.gz UUIYGNPXALQJDL-GFCCVEGCSA-N 0 0 329.352 2.888 50 0 EFAARN COc1cccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000000143062 209448164 /nfs/dbraw/zinc/44/81/64/209448164.db2.gz UGEUUKFQTPUVFY-SJCJKPOMSA-N 0 0 337.441 2.832 50 0 EFAARN COc1cc(F)ccc1-c1ccc(=O)n(CN2CCCCCC2)n1 ZINC000072402307 216193776 /nfs/dbraw/zinc/19/37/76/216193776.db2.gz WJHJEHRASRTODM-UHFFFAOYSA-N 0 0 331.391 2.892 50 0 EFAARN Cc1nc(C)c(C(=O)Nc2cccc(C(=O)c3nccn3C)c2)s1 ZINC000072403613 216194633 /nfs/dbraw/zinc/19/46/33/216194633.db2.gz DVUKYZAOKTWFOP-UHFFFAOYSA-N 0 0 340.408 2.977 50 0 EFAARN Cn1c(=O)cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000072403737 216195115 /nfs/dbraw/zinc/19/51/15/216195115.db2.gz LQBDCGZSBPAKBS-LJQANCHMSA-N 0 0 348.402 2.752 50 0 EFAARN COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 ZINC000000119637 209433659 /nfs/dbraw/zinc/43/36/59/209433659.db2.gz OIUKYDOJRNJSII-GFCCVEGCSA-N 0 0 329.352 2.888 50 0 EFAARN Cc1nc(Cc2nn3c(Cc4c(C)noc4C)nnc3s2)cs1 ZINC000072406031 216197410 /nfs/dbraw/zinc/19/74/10/216197410.db2.gz RASUTOJSONXGNI-UHFFFAOYSA-N 0 0 346.441 2.737 50 0 EFAARN CCc1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072407239 216198450 /nfs/dbraw/zinc/19/84/50/216198450.db2.gz PFVWGJYOVIIXQE-ZDUSSCGKSA-N 0 0 335.411 2.935 50 0 EFAARN CCn1ccnc1CN(C)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072407738 216198543 /nfs/dbraw/zinc/19/85/43/216198543.db2.gz CRWGFZVBEZWZJQ-UHFFFAOYSA-N 0 0 329.444 2.879 50 0 EFAARN CC(C)(C)S(=O)(=O)c1cnc(-c2ccc(Cl)cc2)nc1N ZINC000000125048 209436737 /nfs/dbraw/zinc/43/67/37/209436737.db2.gz JZASMZMEDRKHGU-UHFFFAOYSA-N 0 0 325.821 2.951 50 0 EFAARN Cc1nnc(CCNC(=O)c2cccc(CCC(C)(C)O)c2)s1 ZINC000072408624 216199097 /nfs/dbraw/zinc/19/90/97/216199097.db2.gz FJHCLVWNTCKCOM-UHFFFAOYSA-N 0 0 333.457 2.523 50 0 EFAARN Cc1cc(NCCc2nc(C)cc(C(F)(F)F)n2)n2nccc2n1 ZINC000072418269 216205892 /nfs/dbraw/zinc/20/58/92/216205892.db2.gz OJAIGWMDLMSNTG-UHFFFAOYSA-N 0 0 336.321 2.810 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000105957 209423721 /nfs/dbraw/zinc/42/37/21/209423721.db2.gz YXEPFINSNNLRQC-UHFFFAOYSA-N 0 0 327.336 2.887 50 0 EFAARN CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1cccc(F)c1)CC2 ZINC000072417744 216206725 /nfs/dbraw/zinc/20/67/25/216206725.db2.gz GFQUKQLRHXVLQX-MRXNPFEDSA-N 0 0 348.418 2.617 50 0 EFAARN CC[C@@]1(O)CCN(c2cc(C)c3ccc(SC)cc3n2)C[C@H]1O ZINC000072419163 216207229 /nfs/dbraw/zinc/20/72/29/216207229.db2.gz LZFRRPWZBMNXNG-SJLPKXTDSA-N 0 0 332.469 2.977 50 0 EFAARN COC(=O)[C@@H]1SCCN1C(=O)c1cc(-c2ccccc2)oc1C ZINC000000114513 209430719 /nfs/dbraw/zinc/43/07/19/209430719.db2.gz NYLRZIFXAZYBGJ-INIZCTEOSA-N 0 0 331.393 2.943 50 0 EFAARN CCNC(=O)[C@H]1CCN(c2cc(-c3ccccc3)nc3cc(C)nn32)C1 ZINC000072412067 216203997 /nfs/dbraw/zinc/20/39/97/216203997.db2.gz KSZXRQDNVRCRGS-INIZCTEOSA-N 0 0 349.438 2.667 50 0 EFAARN O=C(N[C@@H]1CC[C@H](C(=O)N2CCCC2)C1)c1ccnc2ccccc21 ZINC000072411649 216204115 /nfs/dbraw/zinc/20/41/15/216204115.db2.gz MPIAZARCOBGQFB-LSDHHAIUSA-N 0 0 337.423 2.756 50 0 EFAARN CN(C)C(=O)NCC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000072411217 216204349 /nfs/dbraw/zinc/20/43/49/216204349.db2.gz FEVONTGFQVIQGV-UHFFFAOYSA-N 0 0 341.411 2.709 50 0 EFAARN COC(=O)c1c2c(sc1NC(=O)CSc1ncccn1)CCC2 ZINC000000076428 209403305 /nfs/dbraw/zinc/40/33/05/209403305.db2.gz RWPHFMDLUAXJLM-UHFFFAOYSA-N 0 0 349.437 2.544 50 0 EFAARN OC[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)nc3ccnn32)C1 ZINC000072418790 216207578 /nfs/dbraw/zinc/20/75/78/216207578.db2.gz JDCSFVSFGFWFMY-CYBMUJFWSA-N 0 0 326.375 2.744 50 0 EFAARN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000072419519 216207665 /nfs/dbraw/zinc/20/76/65/216207665.db2.gz ZWHREAQUGDTTAJ-OAHLLOKOSA-N 0 0 347.507 2.553 50 0 EFAARN CC[C@@]1(O)CCN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C[C@H]1O ZINC000072418764 216207978 /nfs/dbraw/zinc/20/79/78/216207978.db2.gz DOEXUSCFRNWQAB-UYAOXDASSA-N 0 0 343.398 2.841 50 0 EFAARN Cc1noc(C)c1C[NH+]1CCC(C(=O)[O-])(n2ccc(C(C)C)n2)CC1 ZINC000072420295 216208900 /nfs/dbraw/zinc/20/89/00/216208900.db2.gz OQDOSJUYGBOPHK-UHFFFAOYSA-N 0 0 346.431 2.687 50 0 EFAARN COCc1ncc(CN2CCC(Oc3ccccc3C)CC2)cn1 ZINC000072422373 216211590 /nfs/dbraw/zinc/21/15/90/216211590.db2.gz BXIDCGOKRWOUQX-UHFFFAOYSA-N 0 0 327.428 2.975 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000072423410 216213480 /nfs/dbraw/zinc/21/34/80/216213480.db2.gz UCHJEDANDUXPNP-LJQANCHMSA-N 0 0 333.391 2.834 50 0 EFAARN COC(=O)c1cc(C(=O)CSc2nc(C)cc(C)n2)ccc1O ZINC000000067935 209398598 /nfs/dbraw/zinc/39/85/98/209398598.db2.gz OPXMZNSFIUHMNP-UHFFFAOYSA-N 0 0 332.381 2.561 50 0 EFAARN COc1cccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)C(C)C)c1 ZINC000000063525 209396184 /nfs/dbraw/zinc/39/61/84/209396184.db2.gz HZYMEYNUYWMINN-CQSZACIVSA-N 0 0 330.306 2.647 50 0 EFAARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000000063563 209396047 /nfs/dbraw/zinc/39/60/47/209396047.db2.gz VJSUNBMMSTZWAY-UHFFFAOYSA-N 0 0 328.393 2.908 50 0 EFAARN Cc1cccnc1NCCn1ccnc1-c1cnc(N2CCCC2)nc1 ZINC000072424533 216214279 /nfs/dbraw/zinc/21/42/79/216214279.db2.gz JRHPPBPTMKPHIK-UHFFFAOYSA-N 0 0 349.442 2.756 50 0 EFAARN Cc1cc(NC(=O)c2ccccc2I)no1 ZINC000000060933 209394531 /nfs/dbraw/zinc/39/45/31/209394531.db2.gz SDKYQASZDYNGBQ-UHFFFAOYSA-N 0 0 328.109 2.840 50 0 EFAARN CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1CSCN1C ZINC000072424394 216215220 /nfs/dbraw/zinc/21/52/20/216215220.db2.gz GFFQJJHVJYQQMB-AWEZNQCLSA-N 0 0 333.482 2.773 50 0 EFAARN COCc1cc(C)nc2sc3c(nnn(-c4ccccc4)c3=O)c21 ZINC000000054442 209392168 /nfs/dbraw/zinc/39/21/68/209392168.db2.gz BBGAJRYMBBPQAX-UHFFFAOYSA-N 0 0 338.392 2.845 50 0 EFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000052052 209391468 /nfs/dbraw/zinc/39/14/68/209391468.db2.gz XEAJWQGCAQKYFK-CYBMUJFWSA-N 0 0 330.334 2.634 50 0 EFAARN CCOc1ccc(C(=O)C[C@H]([NH2+]Cc2cccs2)C(=O)[O-])cc1 ZINC000000049052 209389267 /nfs/dbraw/zinc/38/92/67/209389267.db2.gz GRORFTPGAGTHHN-HNNXBMFYSA-N 0 0 333.409 2.963 50 0 EFAARN COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1OC ZINC000000044443 209387048 /nfs/dbraw/zinc/38/70/48/209387048.db2.gz UNKSHFBNOQYCEQ-UHFFFAOYSA-N 0 0 325.368 2.553 50 0 biogenic EFAARN CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](C)n2cc(C)cn2)CC1 ZINC000072428737 216220009 /nfs/dbraw/zinc/22/00/09/216220009.db2.gz CSNGTIDUCFOBAU-MRXNPFEDSA-N 0 0 339.439 2.902 50 0 EFAARN CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](C)n2cc(C)cn2)CC1 ZINC000072428736 216220530 /nfs/dbraw/zinc/22/05/30/216220530.db2.gz CSNGTIDUCFOBAU-INIZCTEOSA-N 0 0 339.439 2.902 50 0 EFAARN Cc1nccc(N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)n1 ZINC000072428624 216220795 /nfs/dbraw/zinc/22/07/95/216220795.db2.gz QCWPRYVPZKJIPU-UHFFFAOYSA-N 0 0 336.439 2.804 50 0 EFAARN Cc1nccn1C1(C(=O)[O-])CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072429646 216222617 /nfs/dbraw/zinc/22/26/17/216222617.db2.gz HTKSKOYHPPOEJV-VMPITWQZSA-N 0 0 325.412 2.781 50 0 EFAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1O ZINC000072433296 216228572 /nfs/dbraw/zinc/22/85/72/216228572.db2.gz KGVYKAULWFIMTJ-LBPRGKRZSA-N 0 0 325.792 2.994 50 0 EFAARN Cn1cc(-c2nc3cccnc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000072430727 216223423 /nfs/dbraw/zinc/22/34/23/216223423.db2.gz DOCJJGZASMNUJO-UHFFFAOYSA-N 0 0 333.351 2.797 50 0 EFAARN OCC[C@H]1CN(c2ncccc2Cl)CCN1Cc1ccccc1F ZINC000072430621 216223431 /nfs/dbraw/zinc/22/34/31/216223431.db2.gz MZFQBMOZJPNLEL-HNNXBMFYSA-N 0 0 349.837 2.947 50 0 EFAARN Cc1cnn([C@H](C)CNC(=O)c2cccc(CCC(C)(C)O)c2)c1 ZINC000072431547 216224987 /nfs/dbraw/zinc/22/49/87/216224987.db2.gz CEHFXWFTSIBCLE-OAHLLOKOSA-N 0 0 329.444 2.886 50 0 EFAARN Cc1ncsc1CCN(C)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000072438095 216232952 /nfs/dbraw/zinc/23/29/52/216232952.db2.gz PIDORPFVJVEHAH-ZDUSSCGKSA-N 0 0 347.415 2.718 50 0 EFAARN Cc1nn(C)c2nc(C)nc(NCCCNc3ccc(C)cn3)c12 ZINC000072440033 216233678 /nfs/dbraw/zinc/23/36/78/216233678.db2.gz HOMRFWUBQMBPBE-UHFFFAOYSA-N 0 0 325.420 2.598 50 0 EFAARN COCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1 ZINC000072435877 216230931 /nfs/dbraw/zinc/23/09/31/216230931.db2.gz ZBDHSIOYLJIVBM-UHFFFAOYSA-N 0 0 327.428 2.975 50 0 EFAARN Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)cc1 ZINC000072437417 216232188 /nfs/dbraw/zinc/23/21/88/216232188.db2.gz AHFFKBRPNQRVJE-UHFFFAOYSA-N 0 0 340.431 2.619 50 0 EFAARN Cc1ncsc1CCN(C)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000072438092 216232580 /nfs/dbraw/zinc/23/25/80/216232580.db2.gz PIDORPFVJVEHAH-CYBMUJFWSA-N 0 0 347.415 2.718 50 0 EFAARN CNC(=O)c1ccc(CNc2cc(C(C)C)nc3cc(C)nn32)o1 ZINC000072440535 216235672 /nfs/dbraw/zinc/23/56/72/216235672.db2.gz VIXJHNSIHBCLDJ-UHFFFAOYSA-N 0 0 327.388 2.726 50 0 EFAARN CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000072459068 216244128 /nfs/dbraw/zinc/24/41/28/216244128.db2.gz NISQWLBYHLEFOD-INIZCTEOSA-N 0 0 346.471 2.508 50 0 EFAARN Cc1nc(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)cs1 ZINC000072457864 216244346 /nfs/dbraw/zinc/24/43/46/216244346.db2.gz WAQDBOPPAQQLEO-MRXNPFEDSA-N 0 0 326.425 2.748 50 0 EFAARN CN(Cc1[nH]nc2c1CCC2)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072463466 216244778 /nfs/dbraw/zinc/24/47/78/216244778.db2.gz NLNHYYNVANBGRD-UHFFFAOYSA-N 0 0 341.455 2.874 50 0 EFAARN CCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2nccc2n1 ZINC000072454667 216242381 /nfs/dbraw/zinc/24/23/81/216242381.db2.gz MVGTXTWLAAPKGY-UHFFFAOYSA-N 0 0 325.391 2.757 50 0 EFAARN CCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccncc3)CC[C@H]21 ZINC000072473710 216249936 /nfs/dbraw/zinc/24/99/36/216249936.db2.gz IJMIIOGZKNDPQZ-ZWKOTPCHSA-N 0 0 343.471 2.654 50 0 EFAARN CCN1CC2(CC1=O)CCN(C(=O)CCCOc1ccccc1)CC2 ZINC000072473300 216250026 /nfs/dbraw/zinc/25/00/26/216250026.db2.gz DKHCJDIPAZHBCF-UHFFFAOYSA-N 0 0 344.455 2.707 50 0 EFAARN CCCc1nc2c(cnn2C)c(N[C@@H](c2nccn2C)C(C)C)n1 ZINC000072473086 216250065 /nfs/dbraw/zinc/25/00/65/216250065.db2.gz SNJAVTATDWEFRN-CQSZACIVSA-N 0 0 327.436 2.859 50 0 EFAARN Fc1ccccc1-c1cc(NCCCn2ccnn2)n2nccc2n1 ZINC000072472967 216250600 /nfs/dbraw/zinc/25/06/00/216250600.db2.gz APNOPLPXIKQGLT-UHFFFAOYSA-N 0 0 337.362 2.629 50 0 EFAARN CCn1ccnc1-c1nccn1Cc1noc(Cc2ccccc2)n1 ZINC000072474708 216251368 /nfs/dbraw/zinc/25/13/68/216251368.db2.gz SZIQCJOZTARCEM-UHFFFAOYSA-N 0 0 334.383 2.789 50 0 EFAARN Cc1nc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c(C)o1 ZINC000072463267 216245832 /nfs/dbraw/zinc/24/58/32/216245832.db2.gz PAPHBTXEGNVFOV-UHFFFAOYSA-N 0 0 342.424 2.864 50 0 EFAARN O=C([C@H]1CCOC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072476013 216254498 /nfs/dbraw/zinc/25/44/98/216254498.db2.gz GROBRLRYFMHQDH-LBPRGKRZSA-N 0 0 343.345 2.552 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000072478405 216256535 /nfs/dbraw/zinc/25/65/35/216256535.db2.gz BZVQLXRWIVXOIV-INIZCTEOSA-N 0 0 346.471 2.508 50 0 EFAARN O=C([C@H](O)C1CCCCC1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000072478548 216256866 /nfs/dbraw/zinc/25/68/66/216256866.db2.gz BMJCEWIVBDGGHT-LJQANCHMSA-N 0 0 348.462 2.801 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000072474011 216251889 /nfs/dbraw/zinc/25/18/89/216251889.db2.gz LONBRROTAOQTCN-IBGZPJMESA-N 0 0 341.407 2.799 50 0 EFAARN COCCCN1C(=O)CC[C@H]2CN(c3nccc4occc43)CC[C@H]21 ZINC000072474700 216252027 /nfs/dbraw/zinc/25/20/27/216252027.db2.gz XCBMMLSCSJPIRA-GOEBONIOSA-N 0 0 343.427 2.682 50 0 EFAARN Cc1nc(CC(=O)N2CCCC[C@@H]2CCn2ccnc2C)cs1 ZINC000072478613 216257420 /nfs/dbraw/zinc/25/74/20/216257420.db2.gz KQIGYUAWFLZSPP-MRXNPFEDSA-N 0 0 332.473 2.970 50 0 EFAARN Nc1cc(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)ccn1 ZINC000072475222 216253210 /nfs/dbraw/zinc/25/32/10/216253210.db2.gz GUZCQFQDSSIASK-CQSZACIVSA-N 0 0 325.347 2.657 50 0 EFAARN COc1ccc(OC)c([C@@H](O)CNc2cc(C)nc3cc(C)nn32)c1 ZINC000072479325 216258184 /nfs/dbraw/zinc/25/81/84/216258184.db2.gz SHUWVJKSJWCJBW-HNNXBMFYSA-N 0 0 342.399 2.509 50 0 EFAARN O=C(Cc1ccoc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000131603925 223250040 /nfs/dbraw/zinc/25/00/40/223250040.db2.gz PGNYVAJDFJLUEM-UHFFFAOYSA-N 0 0 327.306 2.901 50 0 EFAARN Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 ZINC000000524040 283704710 /nfs/dbraw/zinc/70/47/10/283704710.db2.gz LMILAHOBLAKISC-UHFFFAOYSA-N 0 0 343.387 2.529 50 0 EFAARN COc1ccccc1C(=O)NC[C@H](c1ccccc1OC)N(C)C ZINC000023713737 212391779 /nfs/dbraw/zinc/39/17/79/212391779.db2.gz AVSICDYEQCTPLJ-MRXNPFEDSA-N 0 0 328.412 2.737 50 0 biogenic EFAARN Cn1cc(-c2ccnc(NC[C@H]3CCN(c4ccccc4)C3)n2)cn1 ZINC000023580825 212382587 /nfs/dbraw/zinc/38/25/87/212382587.db2.gz MITIRMGBSDYUGB-OAHLLOKOSA-N 0 0 334.427 2.816 50 0 EFAARN CCCn1[nH]c(C)c2nc(-c3cccc(CN4CCOCC4)c3)nc1-2 ZINC000023380093 212372541 /nfs/dbraw/zinc/37/25/41/212372541.db2.gz KEVKYUSAWXTNBW-UHFFFAOYSA-N 0 0 339.443 2.977 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000023379117 212372740 /nfs/dbraw/zinc/37/27/40/212372740.db2.gz UOLHPQQEKDEQBK-UHFFFAOYSA-N 0 0 344.480 2.810 50 0 EFAARN O=C(C[C@H]1CCc2ccccc21)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023399764 212375533 /nfs/dbraw/zinc/37/55/33/212375533.db2.gz PALYJAJRXNLSOV-MRXNPFEDSA-N 0 0 337.423 2.596 50 0 EFAARN CCc1nnc(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)s1 ZINC000023399166 212375313 /nfs/dbraw/zinc/37/53/13/212375313.db2.gz MVQNAMGCXCWKCX-ZDUSSCGKSA-N 0 0 342.428 2.860 50 0 EFAARN CCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 ZINC000023411502 212374950 /nfs/dbraw/zinc/37/49/50/212374950.db2.gz DKBSTQGGIVFVAH-UHFFFAOYSA-N 0 0 326.444 2.934 50 0 EFAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCc3[nH]nc(C(C)C)c3C2)c1C ZINC000023379865 212373093 /nfs/dbraw/zinc/37/30/93/212373093.db2.gz BHRBAVXYTFZSIS-UHFFFAOYSA-N 0 0 328.416 2.879 50 0 EFAARN CCn1cc(NC(=O)Cn2cc(-c3cc4ccccc4o3)cn2)nn1 ZINC000023339811 212369440 /nfs/dbraw/zinc/36/94/40/212369440.db2.gz NFCVGZNZNHOAFM-UHFFFAOYSA-N 0 0 336.355 2.546 50 0 EFAARN O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1ccncc1 ZINC000023231031 212362529 /nfs/dbraw/zinc/36/25/29/212362529.db2.gz CQXGWQCPCRBEQX-UHFFFAOYSA-N 0 0 340.770 2.597 50 0 EFAARN O=C(c1ccno1)N(CCn1cccn1)c1nc2ccccc2s1 ZINC000023144710 212355677 /nfs/dbraw/zinc/35/56/77/212355677.db2.gz OUINDZUDFBFCCZ-UHFFFAOYSA-N 0 0 339.380 2.828 50 0 EFAARN CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)n2)CC1 ZINC000022996558 212340886 /nfs/dbraw/zinc/34/08/86/212340886.db2.gz FLAKGHKKOLQKLV-UHFFFAOYSA-N 0 0 341.255 2.507 50 0 EFAARN CCOC(=O)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022923059 212334276 /nfs/dbraw/zinc/33/42/76/212334276.db2.gz NYXSUOOLUHVVAN-UHFFFAOYSA-N 0 0 331.243 2.674 50 0 EFAARN CC(=O)[N-]c1[o+]nn(C(C)C)c1[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000022865156 212331182 /nfs/dbraw/zinc/33/11/82/212331182.db2.gz VCDXOQRAEHEDJO-ZDUSSCGKSA-O 0 0 344.313 2.602 50 0 EFAARN CC(=O)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1 ZINC000022608932 212310472 /nfs/dbraw/zinc/31/04/72/212310472.db2.gz FTFMHPZGBIOWQX-UHFFFAOYSA-N 0 0 334.379 2.584 50 0 EFAARN COc1ccc(NC(=O)C(=O)NCC2(c3cccs3)CC2)cc1 ZINC000022682587 212316189 /nfs/dbraw/zinc/31/61/89/212316189.db2.gz HMLPIHUWAXHDQC-UHFFFAOYSA-N 0 0 330.409 2.543 50 0 EFAARN Cc1ccc(CNC(=O)C(=O)NCC2(c3cccs3)CC2)cc1 ZINC000022682580 212315822 /nfs/dbraw/zinc/31/58/22/212315822.db2.gz FMLQNWBRRXRSJC-UHFFFAOYSA-N 0 0 328.437 2.521 50 0 EFAARN Cc1n[nH]c(C)c1C(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000238839860 240250974 /nfs/dbraw/zinc/25/09/74/240250974.db2.gz HPJUVJGODPSZCZ-NSHDSACASA-N 0 0 343.412 2.768 50 0 EFAARN Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000228983165 240234192 /nfs/dbraw/zinc/23/41/92/240234192.db2.gz CVNMKMATQDFEGJ-HUUCEWRRSA-N 0 0 334.416 2.720 50 0 EFAARN COCCN1C[C@@H](Cc2ccc(OC)c(C(F)(F)F)c2)CC1=O ZINC000252499357 240306896 /nfs/dbraw/zinc/30/68/96/240306896.db2.gz RZFYRKVDXPUBBB-LBPRGKRZSA-N 0 0 331.334 2.751 50 0 EFAARN CN(CC(=O)NCc1cccs1)Cc1nc2cc(F)ccc2[nH]1 ZINC000252499163 240307509 /nfs/dbraw/zinc/30/75/09/240307509.db2.gz RWJNGUQBAUZGQU-UHFFFAOYSA-N 0 0 332.404 2.512 50 0 EFAARN Cc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4cccs4)nn32)c1 ZINC000263617385 240387141 /nfs/dbraw/zinc/38/71/41/240387141.db2.gz NMVVLBHXJOBNKT-KRWDZBQOSA-N 0 0 338.436 2.952 50 0 EFAARN CCc1noc(-c2cc3n(n2)C[C@H](c2ccc(OC)cc2)OC3)n1 ZINC000263616484 240389442 /nfs/dbraw/zinc/38/94/42/240389442.db2.gz IZGDYVABFBYBMS-OAHLLOKOSA-N 0 0 326.356 2.776 50 0 EFAARN CCc1nn2c(c1C(=O)NCc1ccncc1)N[C@@H](c1ccccc1)C2 ZINC000263616007 240389657 /nfs/dbraw/zinc/38/96/57/240389657.db2.gz GLKVOZZMGZLOJX-QGZVFWFLSA-N 0 0 347.422 2.937 50 0 EFAARN COc1ccc([C@H](O)CNC(=O)CCc2ccccc2F)cc1OC ZINC000211088281 241078144 /nfs/dbraw/zinc/07/81/44/241078144.db2.gz GJSBQQGZHXPLIP-MRXNPFEDSA-N 0 0 347.386 2.625 50 0 EFAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000211111750 241078963 /nfs/dbraw/zinc/07/89/63/241078963.db2.gz KSZPNBLVKIFICU-IBGZPJMESA-N 0 0 338.363 2.854 50 0 EFAARN COc1cc(/C=C/C(=O)N2CC[C@H](SC)C2)cc(OC)c1OC ZINC000211092468 241079791 /nfs/dbraw/zinc/07/97/91/241079791.db2.gz GGCSLBCIOLGVCR-GFUIURDCSA-N 0 0 337.441 2.690 50 0 EFAARN O=C(COc1ccc(F)cc1)NCC[C@H]1COc2ccccc2O1 ZINC000214991110 241099221 /nfs/dbraw/zinc/09/92/21/241099221.db2.gz OKUXTDVDEYQUSX-HNNXBMFYSA-N 0 0 331.343 2.551 50 0 EFAARN COc1cc(CN2CCC(Oc3cccnc3)CC2)cc2c1OCO2 ZINC000215106878 241104915 /nfs/dbraw/zinc/10/49/15/241104915.db2.gz VPTBAAZYLFHBCX-UHFFFAOYSA-N 0 0 342.395 2.862 50 0 EFAARN c1cn(CCCOc2ccc(CN3CCc4n[nH]cc4C3)cc2)cn1 ZINC000215078136 241106171 /nfs/dbraw/zinc/10/61/71/241106171.db2.gz FBKNVTDVKOIRFH-UHFFFAOYSA-N 0 0 337.427 2.634 50 0 EFAARN COCCOC1CCN(Cc2nn(C)c3cccc(Cl)c23)CC1 ZINC000215205845 241112167 /nfs/dbraw/zinc/11/21/67/241112167.db2.gz YBSCQIDDLGUPDW-UHFFFAOYSA-N 0 0 337.851 2.854 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1cccnc1)C(F)(F)F ZINC000215195635 241112538 /nfs/dbraw/zinc/11/25/38/241112538.db2.gz DWKIIODELPPOMC-OAHLLOKOSA-N 0 0 340.349 2.784 50 0 EFAARN O=C(CCc1nc2ccccc2[nH]1)NCc1nnc(-c2ccccc2)o1 ZINC000215227477 241114235 /nfs/dbraw/zinc/11/42/35/241114235.db2.gz HDSCVHHPRWPPRD-UHFFFAOYSA-N 0 0 347.378 2.862 50 0 EFAARN O=C(c1cc[nH]n1)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 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243068713 /nfs/dbraw/zinc/06/87/13/243068713.db2.gz MEJIIWGDHPSPLX-UHFFFAOYSA-N 0 0 328.412 2.978 50 0 EFAARN Cc1cccc(-c2noc(CN(C)Cc3noc(C4CC4)n3)n2)c1 ZINC000244723934 243069578 /nfs/dbraw/zinc/06/95/78/243069578.db2.gz MKNHFURZYGHXSN-UHFFFAOYSA-N 0 0 325.372 2.937 50 0 EFAARN Cc1nn(C)cc1NC(=O)CN(C)CCCSc1ccccc1 ZINC000244723819 243069799 /nfs/dbraw/zinc/06/97/99/243069799.db2.gz MHVIHFQEEKAMCY-UHFFFAOYSA-N 0 0 332.473 2.781 50 0 EFAARN Cc1cc2ccccc2n1CCN(C)Cc1nc(CN(C)C)no1 ZINC000244741972 243072643 /nfs/dbraw/zinc/07/26/43/243072643.db2.gz NZWYMLDCXTZNKV-UHFFFAOYSA-N 0 0 327.432 2.526 50 0 EFAARN COc1c2c(cc3c1[C@H](CC(=O)c1cccnc1)N(C)CC3)OCO2 ZINC000020758914 212169328 /nfs/dbraw/zinc/16/93/28/212169328.db2.gz BNFFMDQVYXJISJ-AWEZNQCLSA-N 0 0 340.379 2.621 50 0 biogenic EFAARN O=C(NCc1ccc(Cl)cc1)c1cc(-n2cnnn2)ccc1Cl ZINC000020745001 212168693 /nfs/dbraw/zinc/16/86/93/212168693.db2.gz RGYCEQGQOYAYOG-UHFFFAOYSA-N 0 0 348.193 2.899 50 0 EFAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1-c1ccccc1 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CCC(=O)c1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020653080 212159877 /nfs/dbraw/zinc/15/98/77/212159877.db2.gz UICDOCVLHLVQHL-HZPDHXFCSA-N 0 0 335.444 2.784 50 0 EFAARN CN1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)CC1 ZINC000020661094 212160629 /nfs/dbraw/zinc/16/06/29/212160629.db2.gz CLIBJLIINQPKAY-UHFFFAOYSA-N 0 0 347.418 2.563 50 0 EFAARN C[C@@H](C(=O)NC1CCCCC1)n1ccc(C(=O)NC2CCCCC2)n1 ZINC000020616989 212156358 /nfs/dbraw/zinc/15/63/58/212156358.db2.gz UHWBOFCWHNRDBE-AWEZNQCLSA-N 0 0 346.475 2.956 50 0 EFAARN O=C(NCc1ccncc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000020613797 212155206 /nfs/dbraw/zinc/15/52/06/212155206.db2.gz UUWUIXFHASYEJL-LBPRGKRZSA-N 0 0 347.777 2.543 50 0 EFAARN Cc1[nH]c2c(c1CC(=O)NC[C@@H](O)c1cccnc1)c(C)ccc2C ZINC000020543069 212146245 /nfs/dbraw/zinc/14/62/45/212146245.db2.gz WWGYQUQULHEQPE-QGZVFWFLSA-N 0 0 337.423 2.880 50 0 EFAARN Cc1[nH]c2ccc(C(=O)N3CCN(C[C@H]4CCCO4)CC3)cc2c1C ZINC000020573776 212149186 /nfs/dbraw/zinc/14/91/86/212149186.db2.gz 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/nfs/dbraw/zinc/91/37/22/211913722.db2.gz JUOAZZKDQLLNFZ-OKILXGFUSA-N 0 0 327.446 2.582 50 0 EFAARN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccccc1 ZINC000016624435 211921801 /nfs/dbraw/zinc/92/18/01/211921801.db2.gz BUCINMHFWFZVIB-UHFFFAOYSA-N 0 0 335.410 2.619 50 0 EFAARN CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)N(CC)CC ZINC000016475057 211906564 /nfs/dbraw/zinc/90/65/64/211906564.db2.gz KMYXQSNUNDETHK-INIZCTEOSA-N 0 0 331.416 2.582 50 0 EFAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cc(=O)[nH]c2ccccc21 ZINC000016489106 211908213 /nfs/dbraw/zinc/90/82/13/211908213.db2.gz GDXNEUSOWIYMDE-UHFFFAOYSA-N 0 0 347.330 2.935 50 0 EFAARN CSCC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)n1cccc1 ZINC000263588862 245464177 /nfs/dbraw/zinc/46/41/77/245464177.db2.gz ZINJOXIYXPVUSS-HUUCEWRRSA-N 0 0 346.452 2.739 50 0 EFAARN COCCn1cc(CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 ZINC000079191893 217200535 /nfs/dbraw/zinc/20/05/35/217200535.db2.gz QLOKLVYZMCGLPA-INIZCTEOSA-N 0 0 344.455 2.904 50 0 biogenic EFAARN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1cc(NC2CC2)ncn1 ZINC000079439385 217225022 /nfs/dbraw/zinc/22/50/22/217225022.db2.gz KQNVIWQSGBRMLC-AWEZNQCLSA-N 0 0 347.463 2.935 50 0 EFAARN COC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000079443656 217226053 /nfs/dbraw/zinc/22/60/53/217226053.db2.gz SLOPGXYVCYQYGS-UHFFFAOYSA-N 0 0 325.699 2.667 50 0 EFAARN CC(C)c1cc(-c2nnc3sc(-c4cccnc4)nn32)n(C)n1 ZINC000079479219 217230167 /nfs/dbraw/zinc/23/01/67/217230167.db2.gz LKGYPSSYURKXFJ-UHFFFAOYSA-N 0 0 325.401 2.772 50 0 EFAARN O=C(CCc1nc2cccnc2[nH]1)Nc1ccc2occc(=O)c2c1 ZINC000079477974 217230271 /nfs/dbraw/zinc/23/02/71/217230271.db2.gz QDCUSUJCRYNPLO-UHFFFAOYSA-N 0 0 334.335 2.636 50 0 EFAARN COCCn1cc(C(=O)Nc2nnc(CC(C)C)[nH]2)c2ccccc21 ZINC000079477646 217230615 /nfs/dbraw/zinc/23/06/15/217230615.db2.gz KINJBLCLWWSVCA-UHFFFAOYSA-N 0 0 341.415 2.857 50 0 EFAARN Cc1csc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 ZINC000079483940 217231303 /nfs/dbraw/zinc/23/13/03/217231303.db2.gz FGTVQKAFPOEMSL-ZDUSSCGKSA-N 0 0 331.445 2.713 50 0 EFAARN COc1cc(CCC(=O)Nc2nc(-c3ccccn3)cs2)on1 ZINC000079488809 217232848 /nfs/dbraw/zinc/23/28/48/217232848.db2.gz UQFYOHCHCFKDIF-UHFFFAOYSA-N 0 0 330.369 2.773 50 0 EFAARN O=c1cc2c(nn1CN1CCO[C@H](c3ccccc3)C1)CCCCC2 ZINC000079487951 217233038 /nfs/dbraw/zinc/23/30/38/217233038.db2.gz JNFYDOQDLGXSEM-IBGZPJMESA-N 0 0 339.439 2.543 50 0 EFAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000079491268 217233224 /nfs/dbraw/zinc/23/32/24/217233224.db2.gz CARWYQZZKXBQDO-UHFFFAOYSA-N 0 0 345.362 2.780 50 0 EFAARN Cc1nnsc1-c1nn2c(nnc2-c2cc(C(C)C)nn2C)s1 ZINC000079495369 217233854 /nfs/dbraw/zinc/23/38/54/217233854.db2.gz NXMDJIGULSBRAY-UHFFFAOYSA-N 0 0 346.445 2.537 50 0 EFAARN CC1(C)C[C@H](NC(=O)CCc2nc(-c3ccccc3)no2)CCO1 ZINC000079493671 217234154 /nfs/dbraw/zinc/23/41/54/217234154.db2.gz TZFNHLCTGAMTBN-CQSZACIVSA-N 0 0 329.400 2.743 50 0 EFAARN COc1cccc2c(O)c(C(=O)Nc3ccnn3C(C)C)cnc12 ZINC000079494991 217234555 /nfs/dbraw/zinc/23/45/55/217234555.db2.gz DRDOVNNVBRFCOD-UHFFFAOYSA-N 0 0 326.356 2.566 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CCNC(=O)c1ccc2cc[nH]c2c1 ZINC000079501148 217234774 /nfs/dbraw/zinc/23/47/74/217234774.db2.gz VBYSUFMLCCHBPL-UHFFFAOYSA-N 0 0 346.390 2.616 50 0 EFAARN O=C(NCCc1ccccn1)c1cn(C2CC2)c(=O)c2ccccc12 ZINC000079464734 217228601 /nfs/dbraw/zinc/22/86/01/217228601.db2.gz MKBMSTKJRVQWMH-UHFFFAOYSA-N 0 0 333.391 2.704 50 0 EFAARN COCc1nnc(NC(=O)CCc2cn(C)c3ccccc23)s1 ZINC000079475710 217228968 /nfs/dbraw/zinc/22/89/68/217228968.db2.gz CXLJNGINOZALNE-UHFFFAOYSA-N 0 0 330.413 2.748 50 0 EFAARN Cc1cc(-c2nnc3sc(-c4cccc(F)c4F)nn32)n(C)n1 ZINC000079475115 217228985 /nfs/dbraw/zinc/22/89/85/217228985.db2.gz CRPHDYJYYUXJHF-UHFFFAOYSA-N 0 0 332.339 2.840 50 0 EFAARN CC(C)Cc1cc(-c2nnc3sc(-c4ccncc4)nn32)n(C)n1 ZINC000079501767 217235922 /nfs/dbraw/zinc/23/59/22/217235922.db2.gz XREBYQNXLLIGBK-UHFFFAOYSA-N 0 0 339.428 2.847 50 0 EFAARN COC(=O)[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C)C(C)C ZINC000080329398 217298011 /nfs/dbraw/zinc/29/80/11/217298011.db2.gz YETSFGYXXPLHNY-OAHLLOKOSA-N 0 0 349.818 2.668 50 0 EFAARN Cc1cc(-c2nnc(CCC(=O)N[C@@H]3CCc4ccccc43)o2)no1 ZINC000015073544 211797371 /nfs/dbraw/zinc/79/73/71/211797371.db2.gz YRHSKPFEFPQJSJ-CQSZACIVSA-N 0 0 338.367 2.769 50 0 EFAARN COC(=O)[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)no1 ZINC000014982244 211784099 /nfs/dbraw/zinc/78/40/99/211784099.db2.gz JIJKZTIVSBVRED-MRXNPFEDSA-N 0 0 342.395 2.628 50 0 EFAARN CC1(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000014967913 211780070 /nfs/dbraw/zinc/78/00/70/211780070.db2.gz QYICZFNRLXHSKL-GFCCVEGCSA-N 0 0 340.345 2.723 50 0 EFAARN O=C(NCC[C@@H](O)c1ccccc1)C1(c2ccccc2)CCOCC1 ZINC000081251803 217374248 /nfs/dbraw/zinc/37/42/48/217374248.db2.gz BVQSETNQEIHOKZ-LJQANCHMSA-N 0 0 339.435 2.975 50 0 EFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn(C)c2ccccc12 ZINC000014891020 211769743 /nfs/dbraw/zinc/76/97/43/211769743.db2.gz ZRADFCVKOHEURE-KRWDZBQOSA-N 0 0 336.391 2.692 50 0 biogenic EFAARN CC(C)Cc1cc(C(=O)N[C@H](CO)Cc2ccc(Cl)cc2)n(C)n1 ZINC000082086966 217460706 /nfs/dbraw/zinc/46/07/06/217460706.db2.gz GUCUPPKSBKVGBI-INIZCTEOSA-N 0 0 349.862 2.605 50 0 EFAARN CC(C)C[C@@H](O)C1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 ZINC000082109033 217469105 /nfs/dbraw/zinc/46/91/05/217469105.db2.gz KUYIYMCIHQRZEQ-QGZVFWFLSA-N 0 0 345.443 2.784 50 0 EFAARN CCc1ccc(-c2nccn2Cc2nnnn2-c2ccccc2)nc1 ZINC000082108542 217469264 /nfs/dbraw/zinc/46/92/64/217469264.db2.gz RPGNQDIAMBPCCF-UHFFFAOYSA-N 0 0 331.383 2.532 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 ZINC000082121049 217472192 /nfs/dbraw/zinc/47/21/92/217472192.db2.gz BUCLVQWTWYKZKB-UHFFFAOYSA-N 0 0 343.475 2.511 50 0 EFAARN CC(C)c1cc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)n(C)n1 ZINC000082100051 217466159 /nfs/dbraw/zinc/46/61/59/217466159.db2.gz POROGZQQTAQLIF-MRXNPFEDSA-N 0 0 342.443 2.760 50 0 EFAARN Cc1nc(CC2CCN(C(=O)CCc3scnc3C)CC2)no1 ZINC000082127896 217473128 /nfs/dbraw/zinc/47/31/28/217473128.db2.gz YAYCBUIVMBEWHF-UHFFFAOYSA-N 0 0 334.445 2.557 50 0 EFAARN CC[C@H](NS(=O)(=O)c1cccc2nonc21)c1ccc(C)cc1 ZINC000014219706 211713761 /nfs/dbraw/zinc/71/37/61/211713761.db2.gz GFNBTLVVYYEKDO-ZDUSSCGKSA-N 0 0 331.397 2.961 50 0 EFAARN COc1ccc(Cc2nnc(NC(=O)c3cccnc3)s2)cc1 ZINC000013944166 211659366 /nfs/dbraw/zinc/65/93/66/211659366.db2.gz AWQBKFACXXFACA-UHFFFAOYSA-N 0 0 326.381 2.785 50 0 EFAARN O=C(NC[C@]1(O)CCc2ccccc2C1)c1cc(-c2ccco2)on1 ZINC000085559964 217677292 /nfs/dbraw/zinc/67/72/92/217677292.db2.gz LMPZGNWKWOWCHC-IBGZPJMESA-N 0 0 338.363 2.584 50 0 EFAARN Cc1cc([C@@H](O)CCNC(=O)c2ccc3nsnc3c2)c(C)o1 ZINC000085561497 217678083 /nfs/dbraw/zinc/67/80/83/217678083.db2.gz LSWASKLPDIGJEF-HNNXBMFYSA-N 0 0 331.397 2.755 50 0 EFAARN S=C1N=NC(COc2ccccc2)N1Cc1ccc2c(c1)OCO2 ZINC000013720395 211621076 /nfs/dbraw/zinc/62/10/76/211621076.db2.gz LBMAGRPKAHOXQA-UHFFFAOYSA-N 0 0 341.392 2.923 50 0 EFAARN CC[C@H](C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013710973 211617350 /nfs/dbraw/zinc/61/73/50/211617350.db2.gz FTJGEFKARGJRPB-QGZVFWFLSA-N 0 0 346.452 2.548 50 0 EFAARN O=C(c1cccnc1Cl)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000013689370 211612539 /nfs/dbraw/zinc/61/25/39/211612539.db2.gz NGCLEXBZLKHZQE-LBPRGKRZSA-N 0 0 341.802 2.798 50 0 EFAARN NC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000013690128 211612124 /nfs/dbraw/zinc/61/21/24/211612124.db2.gz XARFZFBFLHKROY-UHFFFAOYSA-N 0 0 348.341 2.797 50 0 EFAARN CC(C)N(C(=O)CSc1ccc(NC(=O)C2CC2)nn1)C(C)C ZINC000013702012 211615521 /nfs/dbraw/zinc/61/55/21/211615521.db2.gz QXXGNYDEGROXLA-UHFFFAOYSA-N 0 0 336.461 2.563 50 0 EFAARN CCCc1nnsc1C(=O)NCCc1nc(-c2cccs2)c[nH]1 ZINC000086071823 217688985 /nfs/dbraw/zinc/68/89/85/217688985.db2.gz GDABCJRNRZAKCP-UHFFFAOYSA-N 0 0 347.469 2.915 50 0 EFAARN O=C(Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2)c1ccco1 ZINC000013695600 211615216 /nfs/dbraw/zinc/61/52/16/211615216.db2.gz AQEXBCQLBFACLJ-MRXNPFEDSA-N 0 0 326.352 2.600 50 0 EFAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCCO)cc2s1 ZINC000013654432 211599667 /nfs/dbraw/zinc/59/96/67/211599667.db2.gz PLEXMCVZOVPECB-UHFFFAOYSA-N 0 0 329.425 2.816 50 0 EFAARN COC(=O)c1cc(C)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1 ZINC000020605312 284526805 /nfs/dbraw/zinc/52/68/05/284526805.db2.gz XKSNSEMIIQXNJL-UHFFFAOYSA-N 0 0 341.392 2.847 50 0 EFAARN CCOc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000013646740 211598181 /nfs/dbraw/zinc/59/81/81/211598181.db2.gz XFVFSJGBNJIUMU-UHFFFAOYSA-N 0 0 348.424 2.733 50 0 EFAARN COCCNC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000013626633 211593704 /nfs/dbraw/zinc/59/37/04/211593704.db2.gz YBBDGHUVFAQCJW-UHFFFAOYSA-N 0 0 337.379 2.536 50 0 EFAARN CSc1ccccc1C(=O)Nc1nnc(-c2cc(C)nn2C)o1 ZINC000013614840 211592666 /nfs/dbraw/zinc/59/26/66/211592666.db2.gz UOBWCBVPXQMAIR-UHFFFAOYSA-N 0 0 329.385 2.753 50 0 EFAARN Nc1c(C(=O)N2CCCCC2)sc(=S)n1C[C@H]1CCCO1 ZINC000013547181 211576331 /nfs/dbraw/zinc/57/63/31/211576331.db2.gz VWNXEFPJBNNJHH-SNVBAGLBSA-N 0 0 327.475 2.666 50 0 EFAARN COCCN(Cc1sccc1C)C(=O)NCCc1nccs1 ZINC000426381396 247272184 /nfs/dbraw/zinc/27/21/84/247272184.db2.gz DXIPSLZXFDMEHS-UHFFFAOYSA-N 0 0 339.486 2.914 50 0 EFAARN Cc1cc(C)n(CCN(C)C(=O)c2ccc(-c3cncnc3)cc2)n1 ZINC000426398038 247275567 /nfs/dbraw/zinc/27/55/67/247275567.db2.gz JVJFDLBQLKTQGK-UHFFFAOYSA-N 0 0 335.411 2.729 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3cnn(C)c3N)c2)C1 ZINC000426431070 247279200 /nfs/dbraw/zinc/27/92/00/247279200.db2.gz PRTGZVBKLRYNDF-MRXNPFEDSA-N 0 0 342.443 2.701 50 0 EFAARN O=C(NCc1ncc[nH]1)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000426428392 247279259 /nfs/dbraw/zinc/27/92/59/247279259.db2.gz SGUBJBSDZATCQT-CYBMUJFWSA-N 0 0 332.379 2.549 50 0 EFAARN COc1c[nH]c(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000426433569 247279471 /nfs/dbraw/zinc/27/94/71/247279471.db2.gz FVQBAVAHKPKXQR-CQSZACIVSA-N 0 0 326.396 2.649 50 0 EFAARN Cc1c(NC(=O)N(Cc2nccs2)C2CC2)cccc1C(N)=O ZINC000426425515 247279895 /nfs/dbraw/zinc/27/98/95/247279895.db2.gz VEYJRXUYWKZRSO-UHFFFAOYSA-N 0 0 330.413 2.747 50 0 EFAARN CO[C@]12CCN(C(=O)c3cncs3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426423856 247279986 /nfs/dbraw/zinc/27/99/86/247279986.db2.gz YZTPBULNARRHFV-JLJPHGGASA-N 0 0 336.457 2.722 50 0 EFAARN COc1ccc(-c2cc(C)nc(N3CCOCC3)n2)c2cccnc12 ZINC000426465387 247284142 /nfs/dbraw/zinc/28/41/42/247284142.db2.gz AGHABLBWOVZKCE-UHFFFAOYSA-N 0 0 336.395 2.845 50 0 EFAARN O=C(NCCc1nc2ccccc2[nH]1)c1c[nH]nc1-c1cccs1 ZINC000426477448 247285640 /nfs/dbraw/zinc/28/56/40/247285640.db2.gz USQBJHGEPPWSCB-UHFFFAOYSA-N 0 0 337.408 2.987 50 0 EFAARN Cc1cc2ccccc2n1CCNC(=O)c1ccccc1-n1cnnc1 ZINC000426484405 247286049 /nfs/dbraw/zinc/28/60/49/247286049.db2.gz GFVGLBUBQXPUCT-UHFFFAOYSA-N 0 0 345.406 2.960 50 0 EFAARN Cc1ccc([C@@]2(C(=O)NCCSc3c[nH]nn3)CC2(C)C)cc1 ZINC000426488498 247286483 /nfs/dbraw/zinc/28/64/83/247286483.db2.gz ZFEHZUCFVOEKDZ-QGZVFWFLSA-N 0 0 330.457 2.689 50 0 EFAARN O=C([O-])Cn1ccc([C@H]2CCC[N@H+](CC3CCC(F)(F)CC3)C2)n1 ZINC000426486551 247287513 /nfs/dbraw/zinc/28/75/13/247287513.db2.gz 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CCOc1cccc(C(=O)Nc2cccc(C(=O)NCCOC)c2)c1 ZINC000012404354 211368714 /nfs/dbraw/zinc/36/87/14/211368714.db2.gz RKUFZERIDLKLNX-UHFFFAOYSA-N 0 0 342.395 2.714 50 0 EFAARN NC(=O)CSc1nnc(C[C@@H](c2ccco2)c2ccc(F)cc2)o1 ZINC000012390978 211366162 /nfs/dbraw/zinc/36/61/62/211366162.db2.gz YVGVEHLIRGUSPP-GFCCVEGCSA-N 0 0 347.371 2.754 50 0 EFAARN O=C(CCc1cn[nH]c1)N1CCO[C@@H](CCCc2ccccc2)C1 ZINC000012385654 211365440 /nfs/dbraw/zinc/36/54/40/211365440.db2.gz ZROLLFDNHQEORE-SFHVURJKSA-N 0 0 327.428 2.593 50 0 EFAARN COc1cccc(C[C@]2(CO)CCCN(C(=O)C3=CCCC3)C2)c1 ZINC000012387226 211365255 /nfs/dbraw/zinc/36/52/55/211365255.db2.gz MZMWYIVKKKAPNX-HXUWFJFHSA-N 0 0 329.440 2.949 50 0 EFAARN CCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012387538 211364190 /nfs/dbraw/zinc/36/41/90/211364190.db2.gz YJNCTBGMHTYUFY-GFCCVEGCSA-N 0 0 328.334 2.723 50 0 EFAARN CC(C)(C)C(=O)N1CCC(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000012381241 211361924 /nfs/dbraw/zinc/36/19/24/211361924.db2.gz BHJAAZDKAPZWSJ-UHFFFAOYSA-N 0 0 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341.455 2.727 50 0 EFAARN COc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1OC ZINC000004837756 210293651 /nfs/dbraw/zinc/29/36/51/210293651.db2.gz FRKTWLABDIIPKH-UHFFFAOYSA-N 0 0 348.786 2.612 50 0 EFAARN COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000004838553 210293037 /nfs/dbraw/zinc/29/30/37/210293037.db2.gz ONERQUCIWKNSIE-UHFFFAOYSA-N 0 0 348.786 2.612 50 0 EFAARN Cc1cc(=O)n2c(n1)NC(NCc1ccccc1)=N[C@H]2c1ccccc1 ZINC000004814206 210284916 /nfs/dbraw/zinc/28/49/16/210284916.db2.gz NQRYQBNILYHWHG-GOSISDBHSA-N 0 0 345.406 2.670 50 0 EFAARN COC(=O)c1ccc(COC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000004829406 210290928 /nfs/dbraw/zinc/29/09/28/210290928.db2.gz GJSPQDZOTHTBRC-UHFFFAOYSA-N 0 0 337.331 2.672 50 0 EFAARN O=C(c1[nH]nc2c1COCC2)N1CC=C(c2ccc(F)cc2)CC1 ZINC000097402570 219021539 /nfs/dbraw/zinc/02/15/39/219021539.db2.gz ZMKCTFRORHBQGP-UHFFFAOYSA-N 0 0 327.359 2.551 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)Cc1cn2ccsc2n1 ZINC000097402493 219022051 /nfs/dbraw/zinc/02/20/51/219022051.db2.gz 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C[C@]1(O)N(CC(=O)Nc2ccc(F)cc2)C(=O)OC12CCCCC2 ZINC000004771130 210274481 /nfs/dbraw/zinc/27/44/81/210274481.db2.gz IWEMXSSJJABUPS-MRXNPFEDSA-N 0 0 336.363 2.628 50 0 EFAARN CC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@]1(C)O ZINC000004771131 210274139 /nfs/dbraw/zinc/27/41/39/210274139.db2.gz CIQZHCROWAPQQC-OAHLLOKOSA-N 0 0 326.780 2.608 50 0 EFAARN Cc1ccc(-c2ccc(NC(=O)N(C)[C@H]3COC[C@@H]3O)cc2)cc1 ZINC000097553267 219035419 /nfs/dbraw/zinc/03/54/19/219035419.db2.gz LLLPBYYPZNGFGI-ROUUACIJSA-N 0 0 326.396 2.885 50 0 EFAARN COc1cc(C)cc(-c2cncc(C(=O)N3CCCC3)n2)c1OC ZINC000097553163 219035583 /nfs/dbraw/zinc/03/55/83/219035583.db2.gz DPYVXHMRVSGHMQ-UHFFFAOYSA-N 0 0 327.384 2.705 50 0 EFAARN COc1ccc(CNC(=O)c2cc(C)n3nc(C)cc3n2)c(F)c1F ZINC000097578824 219036113 /nfs/dbraw/zinc/03/61/13/219036113.db2.gz IQEDNLWKAUBVQY-UHFFFAOYSA-N 0 0 346.337 2.563 50 0 EFAARN O=C(C[C@H]1NC(=O)c2ccccc21)NCc1c(F)cccc1Cl ZINC000097578365 219036604 /nfs/dbraw/zinc/03/66/04/219036604.db2.gz YOTZZJSORVZSJL-OAHLLOKOSA-N 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Cc1nc([C@H]2CCCN(C(=O)c3[nH]cnc3-c3ccccc3)C2)no1 ZINC000426548538 257963714 /nfs/dbraw/zinc/96/37/14/257963714.db2.gz PLKAWWOPJBSRNS-AWEZNQCLSA-N 0 0 337.383 2.788 50 0 EFAARN COc1cccc(OC[C@H]2CCCN(C(=O)NCC3(C)COC3)C2)c1 ZINC000426544371 257963990 /nfs/dbraw/zinc/96/39/90/257963990.db2.gz JMLNPMBJOXYDCW-HNNXBMFYSA-N 0 0 348.443 2.532 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(F)cc3F)[C@H]2C1 ZINC000426518407 257965298 /nfs/dbraw/zinc/96/52/98/257965298.db2.gz VIPQJFWZFGLFQV-ISTRZQFTSA-N 0 0 325.355 2.763 50 0 EFAARN CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(C)nc2C)cc1 ZINC000426517574 257965777 /nfs/dbraw/zinc/96/57/77/257965777.db2.gz LIWGKTQMCZEXJB-AWEZNQCLSA-N 0 0 339.439 2.962 50 0 EFAARN COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cc1C ZINC000426438791 257968089 /nfs/dbraw/zinc/96/80/89/257968089.db2.gz GDQXJXOYHREJJS-VDZJLULYSA-N 0 0 333.428 2.802 50 0 EFAARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1ccccc1NC2=O ZINC000004090770 258003018 /nfs/dbraw/zinc/00/30/18/258003018.db2.gz 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CCCC[C@H]1C=CCN1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000095524125 473220082 /nfs/dbraw/zinc/22/00/82/473220082.db2.gz LABFKJDDKWFELI-LBPRGKRZSA-N 0 0 328.334 2.824 50 0 EFAARN CSCCc1nc(CSc2nnc(N)s2)n(C(C)(C)C)n1 ZINC000095522709 473220232 /nfs/dbraw/zinc/22/02/32/473220232.db2.gz DSVXDJKZFTZKEU-UHFFFAOYSA-N 0 0 344.535 2.665 50 0 EFAARN CC(C)Cn1cncc1CNC(=O)[C@H]1CCOc2ccccc2C1 ZINC000095522728 473220357 /nfs/dbraw/zinc/22/03/57/473220357.db2.gz OKCVHHXGIVZFJZ-INIZCTEOSA-N 0 0 327.428 2.797 50 0 EFAARN Cc1ccnc(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 ZINC000095527001 473221235 /nfs/dbraw/zinc/22/12/35/473221235.db2.gz FTEUPJFTWRPSDG-UHFFFAOYSA-N 0 0 334.427 2.809 50 0 EFAARN Cc1nn(C)c2nc(N3CCC[C@@H](OCc4cccnc4)C3)sc12 ZINC000095527356 473221391 /nfs/dbraw/zinc/22/13/91/473221391.db2.gz QQIBOECIVNPZMO-CQSZACIVSA-N 0 0 343.456 2.919 50 0 EFAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000095528770 473221464 /nfs/dbraw/zinc/22/14/64/473221464.db2.gz XGXPUYLWANXASV-INIZCTEOSA-N 0 0 327.428 2.669 50 0 EFAARN c1cn(Cc2cscn2)c([C@H]2CCCN(c3cnccn3)C2)n1 ZINC000095530922 473222157 /nfs/dbraw/zinc/22/21/57/473222157.db2.gz ICGMFVZNCJVEIK-ZDUSSCGKSA-N 0 0 326.429 2.562 50 0 EFAARN COCCn1ccnc1C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000095530681 473222343 /nfs/dbraw/zinc/22/23/43/473222343.db2.gz NWCKKYJTQCRSRU-UHFFFAOYSA-N 0 0 348.834 2.598 50 0 EFAARN Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3nnc(C)o3)C2)o1 ZINC000095531203 473222458 /nfs/dbraw/zinc/22/24/58/473222458.db2.gz UIMIQLLIZWEASZ-OAHLLOKOSA-N 0 0 346.431 2.588 50 0 EFAARN CCCCn1nc(Cn2cncn2)nc1-c1csc(C(C)=O)c1 ZINC000095531224 473222794 /nfs/dbraw/zinc/22/27/94/473222794.db2.gz DQUQLOPUEQMJGD-UHFFFAOYSA-N 0 0 330.417 2.649 50 0 EFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(F)(F)CC1 ZINC000095630469 473223376 /nfs/dbraw/zinc/22/33/76/473223376.db2.gz NARCRNHDVCXLIF-CQSZACIVSA-N 0 0 325.355 2.712 50 0 EFAARN COc1ccc2c(c1)NC(=O)C21CCN(C(=O)OC(C)(C)C)CC1 ZINC000095931894 473225039 /nfs/dbraw/zinc/22/50/39/473225039.db2.gz FYBAPTXYFURDAZ-UHFFFAOYSA-N 0 0 332.400 2.916 50 0 EFAARN COC(=O)c1cc(I)c(Cl)cc1OC ZINC000095836435 473225183 /nfs/dbraw/zinc/22/51/83/473225183.db2.gz BELJKPCYQONTIG-UHFFFAOYSA-N 0 0 326.517 2.740 50 0 EFAARN CON(C)S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC000095830677 473225206 /nfs/dbraw/zinc/22/52/06/473225206.db2.gz ALPWDUCGTAPWMC-UHFFFAOYSA-N 0 0 332.809 2.961 50 0 EFAARN Cc1nc([C@H]2CN(Cc3ccc(OC(F)(F)F)cc3)CCO2)no1 ZINC000095958159 473230223 /nfs/dbraw/zinc/23/02/23/473230223.db2.gz MEGIOQQENOLTSL-CYBMUJFWSA-N 0 0 343.305 2.850 50 0 EFAARN CC(=O)c1ccc(C(=O)N2CCCN(c3nccs3)CC2)s1 ZINC000141049321 473250820 /nfs/dbraw/zinc/25/08/20/473250820.db2.gz QEWJWIPDOGRYNU-UHFFFAOYSA-N 0 0 335.454 2.760 50 0 EFAARN Cc1nc(C)c(C(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000112306619 473253768 /nfs/dbraw/zinc/25/37/68/473253768.db2.gz AKMUIAXAKZZIKB-UHFFFAOYSA-N 0 0 349.481 2.810 50 0 EFAARN O=C1CCCc2c(OC[C@H](O)Cn3cnc4ccccc43)cccc21 ZINC000096028084 473256862 /nfs/dbraw/zinc/25/68/62/473256862.db2.gz IBDNJAMBAMXCEW-CQSZACIVSA-N 0 0 336.391 2.995 50 0 EFAARN COc1ccc(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cc1 ZINC000096025102 473257478 /nfs/dbraw/zinc/25/74/78/473257478.db2.gz GVEBYYHTHRTXNO-UHFFFAOYSA-N 0 0 335.363 2.708 50 0 EFAARN Cc1ccccc1CC(=O)Nc1ccccc1-c1ccc(=O)n(C)n1 ZINC000096025122 473257902 /nfs/dbraw/zinc/25/79/02/473257902.db2.gz PSSZTLQBOHOCSH-UHFFFAOYSA-N 0 0 333.391 2.937 50 0 EFAARN Cc1cn2cc(C(=O)NCc3cnn(Cc4ccccc4)c3)ccc2n1 ZINC000082091460 473285720 /nfs/dbraw/zinc/28/57/20/473285720.db2.gz GBUIAZZSBTZPIQ-UHFFFAOYSA-N 0 0 345.406 2.818 50 0 EFAARN COc1ccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)o1 ZINC000082083373 473286316 /nfs/dbraw/zinc/28/63/16/473286316.db2.gz XPSIKWXBZCWOCZ-LLVKDONJSA-N 0 0 348.786 2.819 50 0 EFAARN Cc1cccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)n1 ZINC000082087947 473286395 /nfs/dbraw/zinc/28/63/95/473286395.db2.gz UJTLJBDPZVNHDW-ZDUSSCGKSA-N 0 0 343.814 2.921 50 0 EFAARN CC(C)c1nc(CN2CCC3(CC2)Nc2ccccc2NC3=O)no1 ZINC000082097715 473287175 /nfs/dbraw/zinc/28/71/75/473287175.db2.gz HDBYGUNWMWFMTE-UHFFFAOYSA-N 0 0 341.415 2.592 50 0 EFAARN CN(Cc1nc(-c2cccnc2)no1)C(=O)CSc1ccccc1 ZINC000082097136 473287801 /nfs/dbraw/zinc/28/78/01/473287801.db2.gz BCJSQJPOIRJOSR-UHFFFAOYSA-N 0 0 340.408 2.882 50 0 EFAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cnn2c1CCCC2 ZINC000082098073 473288095 /nfs/dbraw/zinc/28/80/95/473288095.db2.gz PPGCZKNIFGHFMN-UHFFFAOYSA-N 0 0 335.411 2.677 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1=O ZINC000082098324 473288168 /nfs/dbraw/zinc/28/81/68/473288168.db2.gz QGVUFKXPARHFSE-UHFFFAOYSA-N 0 0 347.418 2.894 50 0 EFAARN CC(C)Cc1cc(C(=O)NCc2ccc3c(c2)OCCCO3)n(C)n1 ZINC000082106334 473288454 /nfs/dbraw/zinc/28/84/54/473288454.db2.gz MUSPRIBVIWXROE-UHFFFAOYSA-N 0 0 343.427 2.710 50 0 EFAARN Cc1cc(C(=O)NCc2cnn3cccnc23)c2ccc(F)cc2n1 ZINC000082099896 473288469 /nfs/dbraw/zinc/28/84/69/473288469.db2.gz ZEAIXYKDYUZLBC-UHFFFAOYSA-N 0 0 335.342 2.655 50 0 EFAARN Cc1cc(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)c2ccc(F)cc2n1 ZINC000082107620 473289097 /nfs/dbraw/zinc/28/90/97/473289097.db2.gz DJNJHQCGCGMTLE-YJYMSZOUSA-N 0 0 328.387 2.917 50 0 EFAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1c[nH]cn1)n2C(C)C ZINC000082106712 473289586 /nfs/dbraw/zinc/28/95/86/473289586.db2.gz QATUZFJGDAIVOX-UHFFFAOYSA-N 0 0 347.444 2.694 50 0 EFAARN O=C1NCCCC[C@H]1n1ccnc1-c1ccccc1Cn1cccn1 ZINC000082107154 473289820 /nfs/dbraw/zinc/28/98/20/473289820.db2.gz ISPNCVFWPUAUIL-QGZVFWFLSA-N 0 0 335.411 2.636 50 0 EFAARN COc1ccc(CC(=O)N2CCC(CCn3cccn3)CC2)cc1 ZINC000082108173 473290720 /nfs/dbraw/zinc/29/07/20/473290720.db2.gz HHDJEHXQNCOYKR-UHFFFAOYSA-N 0 0 327.428 2.763 50 0 EFAARN Nc1nc(C(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)cs1 ZINC000534575329 468264264 /nfs/dbraw/zinc/26/42/64/468264264.db2.gz VAPINBHSNYFQSI-JTQLQIEISA-N 0 0 336.848 2.635 50 0 EFAARN Cc1ccc(N2CCN(C(=O)c3ccn(C(F)F)n3)[C@H](C)C2)cc1 ZINC000082108457 473290963 /nfs/dbraw/zinc/29/09/63/473290963.db2.gz UAMSHYZEGHSDRE-CYBMUJFWSA-N 0 0 334.370 2.938 50 0 EFAARN O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000082119962 473291898 /nfs/dbraw/zinc/29/18/98/473291898.db2.gz YWGGYFLJLOAJQG-CYBMUJFWSA-N 0 0 346.333 2.823 50 0 EFAARN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(OC(F)F)c1 ZINC000082119963 473292178 /nfs/dbraw/zinc/29/21/78/473292178.db2.gz YWGGYFLJLOAJQG-ZDUSSCGKSA-N 0 0 346.333 2.823 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)Cc2ccc(F)cc2)CC1=O ZINC000082121048 473292318 /nfs/dbraw/zinc/29/23/18/473292318.db2.gz UKMOQCLXKSTIMP-UHFFFAOYSA-N 0 0 326.371 2.552 50 0 EFAARN COc1cccc(F)c1C(=O)N1CCC(CCN2CCCC2=O)CC1 ZINC000082120433 473292935 /nfs/dbraw/zinc/29/29/35/473292935.db2.gz ICIBCOSVGSHEEI-UHFFFAOYSA-N 0 0 348.418 2.699 50 0 EFAARN COc1ccc(OC)c(CC(=O)N2CC(Oc3ccccc3C)C2)c1 ZINC000082136952 473293548 /nfs/dbraw/zinc/29/35/48/473293548.db2.gz IRQCERPRNRGZQR-UHFFFAOYSA-N 0 0 341.407 2.845 50 0 EFAARN CSc1ncccc1C(=O)N1CCC(CCn2cccn2)CC1 ZINC000082134861 473294022 /nfs/dbraw/zinc/29/40/22/473294022.db2.gz ZJCJTFDUKZPMEM-UHFFFAOYSA-N 0 0 330.457 2.943 50 0 EFAARN O=C(NCCc1ccoc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000096096840 473294369 /nfs/dbraw/zinc/29/43/69/473294369.db2.gz SUEDRLNOCXHIGE-UHFFFAOYSA-N 0 0 326.274 2.596 50 0 EFAARN Cn1cc([C@H](O)CNC(=O)NCc2ccc(F)cc2)c2ccccc21 ZINC000096096562 473294487 /nfs/dbraw/zinc/29/44/87/473294487.db2.gz JZSZCYGOXHJQRC-GOSISDBHSA-N 0 0 341.386 2.850 50 0 EFAARN COC(=O)CCCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000082137664 473295357 /nfs/dbraw/zinc/29/53/57/473295357.db2.gz WKVSIBYUNGUZGY-AWEZNQCLSA-N 0 0 343.427 2.687 50 0 EFAARN CCn1nc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cc1C ZINC000082138900 473295621 /nfs/dbraw/zinc/29/56/21/473295621.db2.gz MTTDBEDSNOLLLD-MRXNPFEDSA-N 0 0 341.459 2.838 50 0 EFAARN Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c2ccc(F)cc2n1 ZINC000082137688 473295888 /nfs/dbraw/zinc/29/58/88/473295888.db2.gz FQCALSIKQMKUAG-CYBMUJFWSA-N 0 0 329.375 2.552 50 0 EFAARN Cc1ccc(N2CCN(C(=O)c3ccc(F)c(C)c3)CC2=O)cc1 ZINC000082156170 473295965 /nfs/dbraw/zinc/29/59/65/473295965.db2.gz NHPCDSGDSVWQHE-UHFFFAOYSA-N 0 0 326.371 2.932 50 0 EFAARN COCC1(C(=O)N2CCC(Oc3ccccc3OC)CC2)CCC1 ZINC000082146912 473295988 /nfs/dbraw/zinc/29/59/88/473295988.db2.gz NNMOOHFGFUFASA-UHFFFAOYSA-N 0 0 333.428 2.882 50 0 EFAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC000082148315 473296068 /nfs/dbraw/zinc/29/60/68/473296068.db2.gz JNORBLUZFSCXAV-MRXNPFEDSA-N 0 0 330.432 2.938 50 0 EFAARN O=C(c1cccnn1)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082139123 473296089 /nfs/dbraw/zinc/29/60/89/473296089.db2.gz JSIGGFDZSRIJFE-QGZVFWFLSA-N 0 0 347.422 2.741 50 0 EFAARN COc1cccc2cc(C(=O)NCc3nn(C)c4c3CCCC4)oc21 ZINC000096099139 473296294 /nfs/dbraw/zinc/29/62/94/473296294.db2.gz PHTKDRRHDDXZRF-UHFFFAOYSA-N 0 0 339.395 2.984 50 0 EFAARN Cc1ccc(N2CCN(C(=O)c3ccccc3N(C)C)CC2=O)cc1 ZINC000082146946 473296527 /nfs/dbraw/zinc/29/65/27/473296527.db2.gz GFUOSOOKFSSUBV-UHFFFAOYSA-N 0 0 337.423 2.550 50 0 EFAARN CCCc1n[nH]cc1C(=O)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082161285 473296935 /nfs/dbraw/zinc/29/69/35/473296935.db2.gz CSUJDVPVGAGXBM-OAHLLOKOSA-N 0 0 341.459 2.989 50 0 EFAARN COc1ccc(CNC(=O)NC[C@H](O)c2ccc(SC)cc2)cc1 ZINC000096103308 473297173 /nfs/dbraw/zinc/29/71/73/473297173.db2.gz FRAXUOYIKFSRQM-KRWDZBQOSA-N 0 0 346.452 2.950 50 0 EFAARN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccccc3C)C2)c(=O)n1 ZINC000082167029 473297427 /nfs/dbraw/zinc/29/74/27/473297427.db2.gz SWLZWKWICKOZRO-KRWDZBQOSA-N 0 0 339.439 2.575 50 0 EFAARN COc1ccccc1S(=O)(=O)NC[C@@H](OC)c1ccc(C)s1 ZINC000096104794 473297665 /nfs/dbraw/zinc/29/76/65/473297665.db2.gz AVWZLDXEUMXTFM-CYBMUJFWSA-N 0 0 341.454 2.731 50 0 EFAARN Cc1ccccc1OC1(C(=O)[O-])CC[NH+](Cc2cccnc2)CC1 ZINC000082160932 473297846 /nfs/dbraw/zinc/29/78/46/473297846.db2.gz PKAVKIRSEIKGSF-UHFFFAOYSA-N 0 0 326.396 2.888 50 0 EFAARN CC(=O)N1CCN([C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000082238091 473299354 /nfs/dbraw/zinc/29/93/54/473299354.db2.gz ZLRRVQPOJCHZLJ-ZDUSSCGKSA-N 0 0 330.457 2.739 50 0 EFAARN O=C(c1cccc2[nH]ccc21)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096116197 473305237 /nfs/dbraw/zinc/30/52/37/473305237.db2.gz OYIKBRLDDLXKJF-KGLIPLIRSA-N 0 0 333.391 2.589 50 0 biogenic EFAARN Cc1nccn1-c1cc(NC(=O)Cc2c(F)cccc2Cl)ncn1 ZINC000096119981 473306296 /nfs/dbraw/zinc/30/62/96/473306296.db2.gz KOMZWTXBSXIDKP-UHFFFAOYSA-N 0 0 345.765 2.944 50 0 EFAARN COc1ccc2cc(C(=O)N3CCC4(CC3)OCCCO4)[nH]c2c1 ZINC000096120488 473306335 /nfs/dbraw/zinc/30/63/35/473306335.db2.gz LRZTZRLZUULZBI-UHFFFAOYSA-N 0 0 330.384 2.546 50 0 EFAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N1CCCCC1 ZINC000096118901 473306713 /nfs/dbraw/zinc/30/67/13/473306713.db2.gz SFVWHYRYBKZENW-UHFFFAOYSA-N 0 0 337.379 2.847 50 0 EFAARN Cc1ccc(NC(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1F ZINC000096121403 473307040 /nfs/dbraw/zinc/30/70/40/473307040.db2.gz OMKHYRCMHGERQP-UHFFFAOYSA-N 0 0 332.383 2.700 50 0 EFAARN CCCc1ccc(C(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1 ZINC000096122054 473308401 /nfs/dbraw/zinc/30/84/01/473308401.db2.gz VMOZFCFGUZOPGN-UHFFFAOYSA-N 0 0 347.436 2.672 50 0 EFAARN CO[C@@H]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)C1 ZINC000096122207 473308768 /nfs/dbraw/zinc/30/87/68/473308768.db2.gz KAFCLURDUGEDDV-MRXNPFEDSA-N 0 0 340.379 2.893 50 0 EFAARN COc1ccccc1-n1nc([C@H]2CCOC2)nc1-c1cnoc1C ZINC000096133161 473309404 /nfs/dbraw/zinc/30/94/04/473309404.db2.gz HDQXLMJBJLQTKA-LBPRGKRZSA-N 0 0 326.356 2.743 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)N[C@H](CC)c2cnn(C)c2)cc1 ZINC000096133232 473309548 /nfs/dbraw/zinc/30/95/48/473309548.db2.gz GZUSWWKALVGZFQ-OAHLLOKOSA-N 0 0 330.388 2.870 50 0 EFAARN COc1cc2c(cc1NC(=O)NCCCc1c(C)n[nH]c1C)OCO2 ZINC000096133092 473310184 /nfs/dbraw/zinc/31/01/84/473310184.db2.gz BMWJFBLRPRRQDT-UHFFFAOYSA-N 0 0 346.387 2.518 50 0 EFAARN COCc1nc(-c2cccc(OC)c2C(=O)N(C(C)C)C(C)C)n[nH]1 ZINC000096137022 473311063 /nfs/dbraw/zinc/31/10/63/473311063.db2.gz ONANAYJYLAZKES-UHFFFAOYSA-N 0 0 346.431 2.886 50 0 EFAARN OCCn1nc(C2(c3ccccc3)CC2)nc1-c1ccn(C(F)F)n1 ZINC000096137929 473311484 /nfs/dbraw/zinc/31/14/84/473311484.db2.gz PKEFFRDLUKNICJ-UHFFFAOYSA-N 0 0 345.353 2.609 50 0 EFAARN Cc1ccc(CCNC(=O)Nc2ccc3c(c2)O[C@H](C)C(=O)N3C)o1 ZINC000096140216 473312190 /nfs/dbraw/zinc/31/21/90/473312190.db2.gz QCYUKMRUAAGFTQ-GFCCVEGCSA-N 0 0 343.383 2.696 50 0 EFAARN CC(C)c1cc(CN2C[C@@H]3C[N@@H+](C4CCCC4)C[C@]3(C(=O)[O-])C2)no1 ZINC000096141934 473313132 /nfs/dbraw/zinc/31/31/32/473313132.db2.gz BYWRDUJUAJBCGH-AUUYWEPGSA-N 0 0 347.459 2.559 50 0 EFAARN Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)c1nnc(N)s1 ZINC000096140472 473313602 /nfs/dbraw/zinc/31/36/02/473313602.db2.gz YYTBTPFJWVPCCO-UHFFFAOYSA-N 0 0 343.412 2.749 50 0 EFAARN COc1ccc2[nH]c(CNC(=O)Nc3cc(C(C)C)nn3C)nc2c1 ZINC000096148446 473314958 /nfs/dbraw/zinc/31/49/58/473314958.db2.gz OAVXTYAAYJWMEI-UHFFFAOYSA-N 0 0 342.403 2.750 50 0 EFAARN CC[C@@H](NC(=O)c1cnc(-c2cccnc2)[nH]c1=O)c1cc(C)ccn1 ZINC000096150092 473314134 /nfs/dbraw/zinc/31/41/34/473314134.db2.gz SKZNYZSUXUEZGW-OAHLLOKOSA-N 0 0 349.394 2.829 50 0 EFAARN Cc1cccc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 ZINC000096150189 473314442 /nfs/dbraw/zinc/31/44/42/473314442.db2.gz CWPNTRCAERUQLB-UHFFFAOYSA-N 0 0 332.411 2.569 50 0 EFAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CC(=O)N3)no1 ZINC000096149372 473315014 /nfs/dbraw/zinc/31/50/14/473315014.db2.gz GXRMJIDGLADFOP-OAHLLOKOSA-N 0 0 326.356 2.847 50 0 EFAARN CC(C)Nc1ncc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)cn1 ZINC000096150038 473315109 /nfs/dbraw/zinc/31/51/09/473315109.db2.gz NIMLWUWGUUJSQU-GFCCVEGCSA-N 0 0 339.321 2.725 50 0 EFAARN CCOc1cccc(CN(CCO)c2nc3c(s2)c(C)nn3C)c1 ZINC000096148064 473315265 /nfs/dbraw/zinc/31/52/65/473315265.db2.gz NYUQNDKBBAXFRY-UHFFFAOYSA-N 0 0 346.456 2.736 50 0 EFAARN CC(=O)Nc1ccc(F)c(NC(=O)N2CCOC3(CCCC3)C2)c1 ZINC000096150041 473315302 /nfs/dbraw/zinc/31/53/02/473315302.db2.gz UZSPAPVLSUSDPN-UHFFFAOYSA-N 0 0 335.379 2.961 50 0 EFAARN CCC(=O)N1CCC[C@@H](c2nc(-c3cn4ccccc4n3)no2)C1 ZINC000096148012 473315341 /nfs/dbraw/zinc/31/53/41/473315341.db2.gz UWAIMCDOAQTLIR-GFCCVEGCSA-N 0 0 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CC(C)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000000133503 471327377 /nfs/dbraw/zinc/32/73/77/471327377.db2.gz LNURAGQYBJAKSG-UHFFFAOYSA-N 0 0 338.455 2.966 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)COc2ccccc2CC)n1 ZINC000000131266 471327413 /nfs/dbraw/zinc/32/74/13/471327413.db2.gz PGFZHGIAELPCQP-UHFFFAOYSA-N 0 0 348.424 2.829 50 0 EFAARN O=C(NC(=S)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000000142165 471327801 /nfs/dbraw/zinc/32/78/01/471327801.db2.gz MDMGFFNYPHLZDG-UHFFFAOYSA-N 0 0 349.456 2.724 50 0 EFAARN COc1ccc(C)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000000145213 471327988 /nfs/dbraw/zinc/32/79/88/471327988.db2.gz ZGOGIOJSJMFDTG-UHFFFAOYSA-N 0 0 338.363 2.628 50 0 EFAARN CCc1nnc(NC(=O)COc2ccccc2Br)s1 ZINC000000141981 471328131 /nfs/dbraw/zinc/32/81/31/471328131.db2.gz NQADFFMYQLWNTF-UHFFFAOYSA-N 0 0 342.218 2.881 50 0 EFAARN CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000000142324 471328330 /nfs/dbraw/zinc/32/83/30/471328330.db2.gz JVSDRXNDIGNRCF-UHFFFAOYSA-N 0 0 327.771 2.741 50 0 EFAARN CCOC(=O)COc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000000145833 471328355 /nfs/dbraw/zinc/32/83/55/471328355.db2.gz ZMCSPKOKDDKFMH-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1C ZINC000000157992 471328737 /nfs/dbraw/zinc/32/87/37/471328737.db2.gz AJGWLCVEGFBWII-UHFFFAOYSA-N 0 0 332.347 2.831 50 0 EFAARN CC(=O)c1cccc(NC2=CC(=O)N(c3cccc(C(C)=O)c3)C2=O)c1 ZINC000000149906 471329099 /nfs/dbraw/zinc/32/90/99/471329099.db2.gz GPXNHYWHTNSRQK-UHFFFAOYSA-N 0 0 348.358 2.961 50 0 EFAARN CCOc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1 ZINC000000148387 471329218 /nfs/dbraw/zinc/32/92/18/471329218.db2.gz UBLWTKKUDWWJTA-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2s1 ZINC000000156972 471329319 /nfs/dbraw/zinc/32/93/19/471329319.db2.gz WYMMPSMEFYDBOC-UHFFFAOYSA-N 0 0 330.390 2.641 50 0 EFAARN Cc1nnc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)s1 ZINC000000150855 471329486 /nfs/dbraw/zinc/32/94/86/471329486.db2.gz WRRPDOYKPXSJRK-VIFPVBQESA-N 0 0 345.380 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/nfs/dbraw/zinc/33/17/84/471331784.db2.gz QSDZUDMUSGAEEG-UHFFFAOYSA-N 0 0 333.291 2.723 50 0 EFAARN C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000000187177 471332100 /nfs/dbraw/zinc/33/21/00/471332100.db2.gz PLTREOZVCGOFCP-SNVBAGLBSA-N 0 0 328.755 2.963 50 0 EFAARN COC(=O)c1cc(NC(=O)CCc2ccccc2)cc(C(=O)OC)c1 ZINC000000184148 471332132 /nfs/dbraw/zinc/33/21/32/471332132.db2.gz CBDKSXPNRNTBIZ-UHFFFAOYSA-N 0 0 341.363 2.831 50 0 EFAARN CCOC(=O)c1ccc(Nc2nc3nonc3nc2NC(C)C)cc1 ZINC000000184102 471332152 /nfs/dbraw/zinc/33/21/52/471332152.db2.gz YFEKBWASUSCMHS-UHFFFAOYSA-N 0 0 342.359 2.753 50 0 EFAARN Cc1cc(OCC(=O)NCc2ccncc2)ccc1Br ZINC000000186295 471332602 /nfs/dbraw/zinc/33/26/02/471332602.db2.gz WVFBNPSQFOTBGC-UHFFFAOYSA-N 0 0 335.201 2.848 50 0 EFAARN Cc1cccc(C)c1NC(=O)C[C@@H]([NH2+]CCc1ccccc1)C(=O)[O-] ZINC000000195838 471333238 /nfs/dbraw/zinc/33/32/38/471333238.db2.gz RSENKHBUHQKOAG-QGZVFWFLSA-N 0 0 340.423 2.918 50 0 EFAARN COc1cc2c(cc1OC)CN(Cc1ccc3c(c1)OCO3)CC2 ZINC000000201150 471333636 /nfs/dbraw/zinc/33/36/36/471333636.db2.gz DVXSMZNGDSFVMT-UHFFFAOYSA-N 0 0 327.380 2.991 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 ZINC000000193725 471333770 /nfs/dbraw/zinc/33/37/70/471333770.db2.gz ISXRBPWHECMZHZ-CQSZACIVSA-N 0 0 334.372 2.649 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1 ZINC000000203506 471334313 /nfs/dbraw/zinc/33/43/13/471334313.db2.gz FAHOIKPUIYCYQN-UHFFFAOYSA-N 0 0 347.168 2.996 50 0 EFAARN COc1cccc(NC(=O)[C@H]2CC(=O)O[C@]23CCOC(C)(C)C3)c1 ZINC000000202662 471334417 /nfs/dbraw/zinc/33/44/17/471334417.db2.gz QPYXDYFTEKSINJ-KDOFPFPSSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000203741 471334424 /nfs/dbraw/zinc/33/44/24/471334424.db2.gz SFNLEQTVDYCSEZ-QGZVFWFLSA-N 0 0 344.455 2.950 50 0 EFAARN COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1 ZINC000000202520 471334701 /nfs/dbraw/zinc/33/47/01/471334701.db2.gz RXSRDDUARDWKFP-MHWRWJLKSA-N 0 0 326.327 2.927 50 0 EFAARN COc1ccc(N2C(=O)C(=Cc3cccc(OC)c3)NC2=S)cc1 ZINC000000203031 471334752 /nfs/dbraw/zinc/33/47/52/471334752.db2.gz WRESNIVGZLSUIB-WJDWOHSUSA-N 0 0 340.404 2.966 50 0 EFAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000213222 471335496 /nfs/dbraw/zinc/33/54/96/471335496.db2.gz DGVHUFOQXAUYFQ-UHFFFAOYSA-N 0 0 330.365 2.641 50 0 EFAARN CC(C)N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000000209994 471336306 /nfs/dbraw/zinc/33/63/06/471336306.db2.gz JTNGYOBVXOPXQL-SNVBAGLBSA-N 0 0 325.206 2.645 50 0 EFAARN COc1cccc([C@H]2C[C@@H](c3cccc(F)c3)n3nnnc3N2)c1 ZINC000000222429 471338239 /nfs/dbraw/zinc/33/82/39/471338239.db2.gz ASRBMUQEZSXELU-CVEARBPZSA-N 0 0 325.347 2.967 50 0 EFAARN O=c1cccc2n1C[C@@H]1C[C@H]2CN(C(=S)Nc2ccc(F)cc2)C1 ZINC000000240132 471339229 /nfs/dbraw/zinc/33/92/29/471339229.db2.gz UMDAKKCKBABBQV-OLZOCXBDSA-N 0 0 343.427 2.804 50 0 EFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000000241900 471339435 /nfs/dbraw/zinc/33/94/35/471339435.db2.gz ALGXISBPUKJBRP-UHFFFAOYSA-N 0 0 338.816 2.745 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000000249225 471339672 /nfs/dbraw/zinc/33/96/72/471339672.db2.gz AQBDADNDEWUFTG-UHFFFAOYSA-N 0 0 335.381 2.707 50 0 biogenic EFAARN CCOc1cc(C(=O)NC2=NCCS2)cc(OCC)c1OCC ZINC000000253799 471340402 /nfs/dbraw/zinc/34/04/02/471340402.db2.gz XCUPLAWCNOBCRC-UHFFFAOYSA-N 0 0 338.429 2.715 50 0 EFAARN COC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 ZINC000000243141 471340473 /nfs/dbraw/zinc/34/04/73/471340473.db2.gz PEANRFKFFVOHKA-HNNXBMFYSA-N 0 0 340.379 2.571 50 0 EFAARN CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1 ZINC000000248120 471340567 /nfs/dbraw/zinc/34/05/67/471340567.db2.gz AUUMHQSQDCDATO-DQPZFDDXSA-N 0 0 331.460 2.665 50 0 EFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000263859 471340967 /nfs/dbraw/zinc/34/09/67/471340967.db2.gz QRHNGXQIFOZOKY-UHFFFAOYSA-N 0 0 348.443 2.899 50 0 EFAARN COc1ccc(OCC(=O)Nc2ccc(Br)cn2)cc1 ZINC000000267344 471341182 /nfs/dbraw/zinc/34/11/82/471341182.db2.gz 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/nfs/dbraw/zinc/34/55/64/471345564.db2.gz ZNRLOLUWIKRVBI-DYVFJYSZSA-N 0 0 331.755 2.939 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Nc2ccccc2)C1 ZINC000000309520 471345646 /nfs/dbraw/zinc/34/56/46/471345646.db2.gz KGHGIYCMPZXSMP-CQSZACIVSA-N 0 0 343.814 2.832 50 0 EFAARN C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCN1C(=O)c1ccc(F)cc1 ZINC000000308686 471345664 /nfs/dbraw/zinc/34/56/64/471345664.db2.gz WOPKEWKIOPZVSV-CYBMUJFWSA-N 0 0 344.361 2.952 50 0 EFAARN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 ZINC000000309357 471345810 /nfs/dbraw/zinc/34/58/10/471345810.db2.gz HKUYSQZNBPQKAZ-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN CCOc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000000306645 471345918 /nfs/dbraw/zinc/34/59/18/471345918.db2.gz CQBOGAKFDASRCH-UHFFFAOYSA-N 0 0 337.379 2.824 50 0 EFAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000000309355 471346138 /nfs/dbraw/zinc/34/61/38/471346138.db2.gz SFQLUYSXIKNBMA-UHFFFAOYSA-N 0 0 343.408 2.780 50 0 EFAARN COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 ZINC000000314754 471346984 /nfs/dbraw/zinc/34/69/84/471346984.db2.gz SRQCVZDPIDPYHZ-QGZVFWFLSA-N 0 0 331.755 2.761 50 0 EFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 ZINC000000312154 471347161 /nfs/dbraw/zinc/34/71/61/471347161.db2.gz IJDCUXXGYVMBNW-UHFFFAOYSA-N 0 0 344.484 2.947 50 0 EFAARN CCC(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000317786 471347279 /nfs/dbraw/zinc/34/72/79/471347279.db2.gz GIIZNXDFRIRYHQ-UHFFFAOYSA-N 0 0 330.365 2.563 50 0 EFAARN COc1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000317880 471347537 /nfs/dbraw/zinc/34/75/37/471347537.db2.gz WVWANHPIULQEDN-UHFFFAOYSA-N 0 0 344.386 2.562 50 0 EFAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCCC1 ZINC000000325711 471348471 /nfs/dbraw/zinc/34/84/71/471348471.db2.gz IBDCYNUTWVDZPY-UHFFFAOYSA-N 0 0 340.143 2.595 50 0 EFAARN COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000000318564 471348481 /nfs/dbraw/zinc/34/84/81/471348481.db2.gz AJFPYLYAZVXEFD-UHFFFAOYSA-N 0 0 337.372 2.502 50 0 EFAARN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000000330955 471348519 /nfs/dbraw/zinc/34/85/19/471348519.db2.gz BZPPSEVCCFGIRD-AWEZNQCLSA-N 0 0 329.322 2.615 50 0 EFAARN CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000000330963 471348598 /nfs/dbraw/zinc/34/85/98/471348598.db2.gz BZPPSEVCCFGIRD-CQSZACIVSA-N 0 0 329.322 2.615 50 0 EFAARN c1coc(CNc2nc3ccccc3n2CCN2CCOCC2)c1 ZINC000000350258 471349236 /nfs/dbraw/zinc/34/92/36/471349236.db2.gz ZJFDUAOVEYDWGZ-UHFFFAOYSA-N 0 0 326.400 2.574 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccs2)c1 ZINC000000337647 471349360 /nfs/dbraw/zinc/34/93/60/471349360.db2.gz ONBBHUSAFIUQFH-UHFFFAOYSA-N 0 0 333.365 2.503 50 0 EFAARN COc1ccc(C2(CNC(C)=O)CCC(OC(C)=O)CC2)cc1OC ZINC000000344047 471349955 /nfs/dbraw/zinc/34/99/55/471349955.db2.gz JTOFCDVHLIDRKW-UHFFFAOYSA-N 0 0 349.427 2.583 50 0 biogenic EFAARN CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000000358802 471350376 /nfs/dbraw/zinc/35/03/76/471350376.db2.gz QEJXBJUSRZVPMR-UHFFFAOYSA-N 0 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ZHGNKGXWUQZNMV-UHFFFAOYSA-N 0 0 343.387 2.719 50 0 EFAARN COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000000387174 471354182 /nfs/dbraw/zinc/35/41/82/471354182.db2.gz OGVLVIMYKUCEGD-QGZVFWFLSA-N 0 0 347.436 2.820 50 0 EFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(N)c1 ZINC000000406247 471354212 /nfs/dbraw/zinc/35/42/12/471354212.db2.gz KSQJQDAPMJCFDK-UHFFFAOYSA-N 0 0 344.411 2.630 50 0 EFAARN COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC000000408053 471354899 /nfs/dbraw/zinc/35/48/99/471354899.db2.gz WVUNMOMYPPIEIP-UHFFFAOYSA-N 0 0 343.335 2.521 50 0 EFAARN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2)cc1OC ZINC000000408630 471355086 /nfs/dbraw/zinc/35/50/86/471355086.db2.gz DMTPSLQHAXJGJG-CQSZACIVSA-N 0 0 329.396 2.830 50 0 EFAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1cccs1)C(=O)C2 ZINC000000415919 471355667 /nfs/dbraw/zinc/35/56/67/471355667.db2.gz SMCLQQCYKFXBOX-IAQYHMDHSA-N 0 0 327.471 2.563 50 0 EFAARN COc1cc(OC)cc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1 ZINC000000414566 471356011 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ZINC000000453249 471361930 /nfs/dbraw/zinc/36/19/30/471361930.db2.gz XYOVXTNRTDLPSQ-XNTDXEJSSA-N 0 0 346.427 2.948 50 0 EFAARN COc1ccc(NC(=S)NC(=O)c2ccccc2F)c(OC)c1 ZINC000000452042 471362302 /nfs/dbraw/zinc/36/23/02/471362302.db2.gz OLPRWMVGAILTPA-UHFFFAOYSA-N 0 0 334.372 2.970 50 0 EFAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)c2c(N)scc21 ZINC000000469261 471363241 /nfs/dbraw/zinc/36/32/41/471363241.db2.gz SXGQRQVITZAZLR-UHFFFAOYSA-N 0 0 329.381 2.515 50 0 EFAARN COC(=O)c1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1C ZINC000000461114 471363255 /nfs/dbraw/zinc/36/32/55/471363255.db2.gz CVHJTVNSVYHINT-UHFFFAOYSA-N 0 0 327.336 2.959 50 0 EFAARN COc1cc2c(cc1/C=C1/NC(=O)N(c3ccccc3)C1=O)OCO2 ZINC000000460413 471363276 /nfs/dbraw/zinc/36/32/76/471363276.db2.gz BZWSGQSDXZCOCJ-NTUHNPAUSA-N 0 0 338.319 2.521 50 0 EFAARN CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2C1=O ZINC000000462720 471363379 /nfs/dbraw/zinc/36/33/79/471363379.db2.gz SWMZORNQPRELAR-UHFFFAOYSA-N 0 0 344.754 2.914 50 0 EFAARN Cc1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C(N)=O)c1C ZINC000000476356 471363896 /nfs/dbraw/zinc/36/38/96/471363896.db2.gz XFPTYJQHVHMUIB-GQCTYLIASA-N 0 0 344.392 2.844 50 0 EFAARN Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1 ZINC000000469921 471364017 /nfs/dbraw/zinc/36/40/17/471364017.db2.gz LOVWPHFOJNLWJO-UHFFFAOYSA-N 0 0 325.347 2.735 50 0 EFAARN COC(=O)C1=CN(CC(C)C)C=C(C(=O)OC)C1c1cccc(F)c1 ZINC000000471360 471364026 /nfs/dbraw/zinc/36/40/26/471364026.db2.gz AXJDBVXXXWZKIZ-UHFFFAOYSA-N 0 0 347.386 2.995 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 ZINC000000472642 471364212 /nfs/dbraw/zinc/36/42/12/471364212.db2.gz KZCZMYRGJZYWLF-QHHAFSJGSA-N 0 0 325.320 2.838 50 0 EFAARN CCOC(=O)C1CCN(C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000000469716 471364491 /nfs/dbraw/zinc/36/44/91/471364491.db2.gz RQHIUQKMAKDNOW-UHFFFAOYSA-N 0 0 344.415 2.689 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(F)c1 ZINC000000477237 471364572 /nfs/dbraw/zinc/36/45/72/471364572.db2.gz CRRZQKZXGFLBSM-CQSZACIVSA-N 0 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ZINC000000536836 471369604 /nfs/dbraw/zinc/36/96/04/471369604.db2.gz MZTVUVXXOSTNDW-OAHLLOKOSA-N 0 0 337.162 2.801 50 0 EFAARN O=C(C[C@@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000000537302 471369883 /nfs/dbraw/zinc/36/98/83/471369883.db2.gz CNKJITHCAYFLHQ-KRWDZBQOSA-N 0 0 342.370 2.582 50 0 EFAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)cc1 ZINC000000547960 471370254 /nfs/dbraw/zinc/37/02/54/471370254.db2.gz UXNAILZZZPWWKD-AWEZNQCLSA-N 0 0 336.438 2.867 50 0 EFAARN COc1cccc2c(=O)cc(C)n(CC(=O)NCc3ccccc3)c12 ZINC000000547831 471370365 /nfs/dbraw/zinc/37/03/65/471370365.db2.gz VNSTVOANALFRIS-UHFFFAOYSA-N 0 0 336.391 2.635 50 0 EFAARN Nn1cnc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O ZINC000000552010 471370384 /nfs/dbraw/zinc/37/03/84/471370384.db2.gz FXKROJGOOQTPOZ-UHFFFAOYSA-N 0 0 334.404 2.876 50 0 EFAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)cc1 ZINC000000547911 471370637 /nfs/dbraw/zinc/37/06/37/471370637.db2.gz JAVLYHRENWQOOZ-QGZVFWFLSA-N 0 0 330.409 2.806 50 0 EFAARN Cn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000000558636 471370684 /nfs/dbraw/zinc/37/06/84/471370684.db2.gz LDKLSWXMLZNTRZ-VQHVLOKHSA-N 0 0 329.747 2.775 50 0 EFAARN O=C(CSc1nnc(-c2ccncc2)o1)NCc1ccccc1 ZINC000000550671 471370761 /nfs/dbraw/zinc/37/07/61/471370761.db2.gz RBEOGWBVGSIPSA-UHFFFAOYSA-N 0 0 326.381 2.540 50 0 EFAARN COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000555603 471370941 /nfs/dbraw/zinc/37/09/41/471370941.db2.gz WTVWFXYFNKHZFB-UHFFFAOYSA-N 0 0 347.436 2.980 50 0 EFAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NC[C@@H]1CCCO1 ZINC000000573699 471372559 /nfs/dbraw/zinc/37/25/59/471372559.db2.gz AKYQLPOLYOPURT-AWEZNQCLSA-N 0 0 326.396 2.529 50 0 EFAARN Cc1ccccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000581602 471372654 /nfs/dbraw/zinc/37/26/54/471372654.db2.gz KUITXXWXSVWCOA-UHFFFAOYSA-N 0 0 328.387 2.862 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=S)NCCC2=CCCCC2)cc1 ZINC000000610192 471373291 /nfs/dbraw/zinc/37/32/91/471373291.db2.gz OXQCPNAAPNRAFW-UHFFFAOYSA-N 0 0 339.486 2.511 50 0 EFAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000000614580 471373330 /nfs/dbraw/zinc/37/33/30/471373330.db2.gz HKPHZUHHXSNXKN-HZMBPMFUSA-N 0 0 343.210 2.782 50 0 EFAARN CSc1ccccc1NC(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000000612384 471373414 /nfs/dbraw/zinc/37/34/14/471373414.db2.gz LCDFOBDMQRSNNY-UHFFFAOYSA-N 0 0 343.387 2.840 50 0 EFAARN O=C(Nc1cccnc1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000000614583 471373679 /nfs/dbraw/zinc/37/36/79/471373679.db2.gz PYXJBANDJXGNIF-CQSZACIVSA-N 0 0 346.184 2.976 50 0 EFAARN S=C(NCCn1cc(Cl)cn1)NCc1ccc(Cl)cc1 ZINC000000611551 471373686 /nfs/dbraw/zinc/37/36/86/471373686.db2.gz NCVSDZBWEZUMPR-UHFFFAOYSA-N 0 0 329.256 2.854 50 0 EFAARN O=Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000000614009 471373811 /nfs/dbraw/zinc/37/38/11/471373811.db2.gz KJXKWJDHFZPLLG-CYBMUJFWSA-N 0 0 327.311 2.597 50 0 EFAARN O=C(NC[C@@H]1CCCO1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000000614579 471373873 /nfs/dbraw/zinc/37/38/73/471373873.db2.gz HKPHZUHHXSNXKN-IINYFYTJSA-N 0 0 343.210 2.782 50 0 EFAARN COc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCOCC2)cc1 ZINC000000615926 471374207 /nfs/dbraw/zinc/37/42/07/471374207.db2.gz WDPNYKJVSITIAG-UHFFFAOYSA-N 0 0 340.423 2.756 50 0 EFAARN CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 ZINC000000619852 471374336 /nfs/dbraw/zinc/37/43/36/471374336.db2.gz IXINXYDGCBQQLO-UHFFFAOYSA-N 0 0 346.441 2.547 50 0 EFAARN O=C(c1ccccc1)N1C[C@@](O)(C(F)(F)F)C(c2ccccc2)=N1 ZINC000000711678 471374404 /nfs/dbraw/zinc/37/44/04/471374404.db2.gz CVGGSYYSKYATDH-INIZCTEOSA-N 0 0 334.297 2.840 50 0 EFAARN CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1 ZINC000000620221 471375001 /nfs/dbraw/zinc/37/50/01/471375001.db2.gz RYHRLMYFSSEMNB-LLVKDONJSA-N 0 0 346.441 2.628 50 0 EFAARN CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000000617678 471375216 /nfs/dbraw/zinc/37/52/16/471375216.db2.gz GYZILCDSSLXKTB-UHFFFAOYSA-N 0 0 330.359 2.892 50 0 EFAARN CCOC(=O)c1ccc(NC(=S)NCc2cnn(CC)c2)cc1 ZINC000000621436 471375272 /nfs/dbraw/zinc/37/52/72/471375272.db2.gz PIHJUDOYPQTYTR-UHFFFAOYSA-N 0 0 332.429 2.566 50 0 EFAARN COC[C@@H](C)NC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000000814920 471375644 /nfs/dbraw/zinc/37/56/44/471375644.db2.gz WRXQIRUPNISCQU-OQPBUACISA-N 0 0 331.199 2.638 50 0 EFAARN O=C([C@H]1CC(c2cccc(Br)c2)=NO1)N1CCCCC1 ZINC000000814956 471376195 /nfs/dbraw/zinc/37/61/95/471376195.db2.gz WQHNMIGDMAOPHQ-CQSZACIVSA-N 0 0 337.217 2.955 50 0 EFAARN CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)n2C)CC1 ZINC000000904497 471376936 /nfs/dbraw/zinc/37/69/36/471376936.db2.gz QNLVJNKBQJTNTQ-UHFFFAOYSA-N 0 0 344.484 2.757 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000000873299 471377047 /nfs/dbraw/zinc/37/70/47/471377047.db2.gz CLFNDGJOFKNWAA-UHFFFAOYSA-N 0 0 337.423 2.916 50 0 EFAARN CCOC(=O)[C@]1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000000900659 471377634 /nfs/dbraw/zinc/37/76/34/471377634.db2.gz IGUYEXXAGBDLLX-CYBMUJFWSA-N 0 0 332.139 2.798 50 0 in-vitro EFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000858986 471377762 /nfs/dbraw/zinc/37/77/62/471377762.db2.gz YENFIOQUEXDSIN-UHFFFAOYSA-N 0 0 334.416 2.645 50 0 EFAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1cccnc1 ZINC000000817596 471377863 /nfs/dbraw/zinc/37/78/63/471377863.db2.gz UGZFDBLVSHVXBL-UHFFFAOYSA-N 0 0 333.391 2.945 50 0 EFAARN COC(=O)n1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000983280 471378213 /nfs/dbraw/zinc/37/82/13/471378213.db2.gz SBPBXZOEXGEXAW-UHFFFAOYSA-N 0 0 340.426 2.646 50 0 EFAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O ZINC000000982510 471378249 /nfs/dbraw/zinc/37/82/49/471378249.db2.gz DCFDAOHEADCAJL-SEEODLKFSA-N 0 0 335.381 2.601 50 0 EFAARN CCn1c(C)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c1C ZINC000000982264 471378510 /nfs/dbraw/zinc/37/85/10/471378510.db2.gz XXODKAWTALDZCW-ZWSXMNCCSA-N 0 0 336.413 2.723 50 0 EFAARN COC(=O)c1cc(NC(=O)c2sccc2C)cc(C(=O)OC)c1 ZINC000001002281 471378587 /nfs/dbraw/zinc/37/85/87/471378587.db2.gz VFQKSPWSSYCDSC-UHFFFAOYSA-N 0 0 333.365 2.882 50 0 EFAARN COc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000984886 471379032 /nfs/dbraw/zinc/37/90/32/471379032.db2.gz IRXNDNJDQATYQA-SGTLLEGYSA-N 0 0 343.379 2.662 50 0 EFAARN COc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000984887 471379055 /nfs/dbraw/zinc/37/90/55/471379055.db2.gz IRXNDNJDQATYQA-XIKOKIGWSA-N 0 0 343.379 2.662 50 0 EFAARN CCOc1cc(C(=O)Nc2cnccn2)cc(OCC)c1OCC ZINC000001053390 471379662 /nfs/dbraw/zinc/37/96/62/471379662.db2.gz PNKCHSQQIVTJFK-UHFFFAOYSA-N 0 0 331.372 2.925 50 0 EFAARN COc1ccccc1-c1noc(CCC(=O)NCc2ccco2)n1 ZINC000001059532 471379680 /nfs/dbraw/zinc/37/96/80/471379680.db2.gz WHIIOKXIQHYZOY-UHFFFAOYSA-N 0 0 327.340 2.587 50 0 EFAARN O=C(Nc1ccccc1Cl)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000001050150 471379709 /nfs/dbraw/zinc/37/97/09/471379709.db2.gz SNYKRLJKQASJLK-UONOGXRCSA-N 0 0 348.830 2.720 50 0 EFAARN c1ccc2c(c1)OC[C@H](c1nn3c(nnc3-c3ccncc3)s1)O2 ZINC000001016525 471379805 /nfs/dbraw/zinc/37/98/05/471379805.db2.gz 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/nfs/dbraw/zinc/38/21/73/471382173.db2.gz ZBILLTBQSBAYMM-HNNXBMFYSA-N 0 0 346.408 2.518 50 0 EFAARN O=C(CSc1nnc2ccc3ccccc3n21)NCc1ccco1 ZINC000001099199 471382321 /nfs/dbraw/zinc/38/23/21/471382321.db2.gz LEJAJEUCKCCBFG-UHFFFAOYSA-N 0 0 338.392 2.884 50 0 EFAARN CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1 ZINC000001273053 471383884 /nfs/dbraw/zinc/38/38/84/471383884.db2.gz LJKNIGXCWKDUAO-UHFFFAOYSA-N 0 0 336.392 2.987 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000001298603 471384950 /nfs/dbraw/zinc/38/49/50/471384950.db2.gz SGAWPKILZOZHON-UHFFFAOYSA-N 0 0 335.454 2.746 50 0 EFAARN COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Cl)cc1)C(=O)N2 ZINC000001320665 471385393 /nfs/dbraw/zinc/38/53/93/471385393.db2.gz SJUDIDAKJMIDBS-KRWDZBQOSA-N 0 0 331.755 2.761 50 0 EFAARN O=C(CSc1nnc(NC(=O)C2CC2)s1)Nc1ccccc1 ZINC000001381606 471387496 /nfs/dbraw/zinc/38/74/96/471387496.db2.gz NCSXVALJBHFKMK-UHFFFAOYSA-N 0 0 334.426 2.617 50 0 EFAARN COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1OC ZINC000001383762 471387509 /nfs/dbraw/zinc/38/75/09/471387509.db2.gz APBNPEZVXJFWKS-UHFFFAOYSA-N 0 0 344.392 2.609 50 0 EFAARN CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(C)cc21 ZINC000001362072 471387596 /nfs/dbraw/zinc/38/75/96/471387596.db2.gz SDLNWHGDJULWTH-UHFFFAOYSA-N 0 0 340.379 2.758 50 0 EFAARN Cc1nnc(-c2cnn(C)c2N)n1Cc1cccc(C(F)(F)F)c1 ZINC000001384166 471387717 /nfs/dbraw/zinc/38/77/17/471387717.db2.gz VXPLKTVWALVFLT-UHFFFAOYSA-N 0 0 336.321 2.636 50 0 EFAARN CONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000001393457 471388568 /nfs/dbraw/zinc/38/85/68/471388568.db2.gz OAEANLUBKWZQSG-UHFFFAOYSA-N 0 0 347.211 2.860 50 0 EFAARN O=C(OCC[C@@H]1Oc2cccnc2NC1=O)c1ccc(Cl)cc1 ZINC000001390505 471388703 /nfs/dbraw/zinc/38/87/03/471388703.db2.gz WPWHSQXAQRRENU-ZDUSSCGKSA-N 0 0 332.743 2.682 50 0 EFAARN O=C(NCc1cccnc1)c1ccc(I)cc1 ZINC000001398378 471389581 /nfs/dbraw/zinc/38/95/81/471389581.db2.gz AMCXUDQNFCPRAG-UHFFFAOYSA-N 0 0 338.148 2.616 50 0 EFAARN Cc1ccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000001398366 471390068 /nfs/dbraw/zinc/39/00/68/471390068.db2.gz DJYGYJZNSZPICF-CMDGGOBGSA-N 0 0 331.393 2.814 50 0 EFAARN Cc1ccc(C2=N/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C(=O)O2)cc1 ZINC000001439708 471390750 /nfs/dbraw/zinc/39/07/50/471390750.db2.gz SZKJXVLVJIGGKH-XNTDXEJSSA-N 0 0 347.374 2.530 50 0 EFAARN Cc1cc(N2CCCC2=O)c(NC(=O)C2CC2)cc1NC(=O)C1CC1 ZINC000001430426 471391265 /nfs/dbraw/zinc/39/12/65/471391265.db2.gz XWARYDLXSQHSRL-UHFFFAOYSA-N 0 0 341.411 2.819 50 0 EFAARN COc1cc(/C=C/C(=O)N[C@H]2CCSC2=O)ccc1OC(C)C ZINC000001459659 471391611 /nfs/dbraw/zinc/39/16/11/471391611.db2.gz FCHHWRWBSSCOPU-IYNGYCSASA-N 0 0 335.425 2.644 50 0 EFAARN O=C(Nc1ccc(Cc2ccc(NC(=O)N3CC3)cc2)cc1)N1CC1 ZINC000001628285 471395625 /nfs/dbraw/zinc/39/56/25/471395625.db2.gz XECQDYXJWMHGBI-UHFFFAOYSA-N 0 0 336.395 2.972 50 0 EFAARN COc1cc(OC)nc(CSCC(=O)N[C@H](C)c2ccccc2)n1 ZINC000001741264 471396303 /nfs/dbraw/zinc/39/63/03/471396303.db2.gz WMQUWOMVYNLGAZ-GFCCVEGCSA-N 0 0 347.440 2.604 50 0 EFAARN CC(=O)Nc1ccc(C(=O)[C@H](O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001691925 471397078 /nfs/dbraw/zinc/39/70/78/471397078.db2.gz CJOZJOYUNVCREY-QGZVFWFLSA-N 0 0 326.352 2.520 50 0 EFAARN C[C@H]1CCc2c(sc(NC(=O)c3ccc(O)cc3)c2C(N)=O)C1 ZINC000001788413 471397685 /nfs/dbraw/zinc/39/76/85/471397685.db2.gz TWMFMKAMCVYZAC-VIFPVBQESA-N 0 0 330.409 2.930 50 0 EFAARN COCCNC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000001777572 471397788 /nfs/dbraw/zinc/39/77/88/471397788.db2.gz MNGVUSLLNZWBOX-UHFFFAOYSA-N 0 0 344.249 2.888 50 0 EFAARN CCCOC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 ZINC000001749848 471398323 /nfs/dbraw/zinc/39/83/23/471398323.db2.gz XGSMROLEAXIJMG-UHFFFAOYSA-N 0 0 338.363 2.919 50 0 EFAARN COc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000001886766 471399298 /nfs/dbraw/zinc/39/92/98/471399298.db2.gz BLVKEPVXNOBBEX-UHFFFAOYSA-N 0 0 331.324 2.693 50 0 EFAARN O=C(COc1ccc(Cl)cc1Cl)NCCCn1ccnc1 ZINC000001815358 471399353 /nfs/dbraw/zinc/39/93/53/471399353.db2.gz YCLREWVHQXDHRI-UHFFFAOYSA-N 0 0 328.199 2.775 50 0 aggregator EFAARN CCCCCC[C@@H]1C[C@@](C)(C(=O)CNc2nncs2)OC1=O ZINC000001830957 471399559 /nfs/dbraw/zinc/39/95/59/471399559.db2.gz SKBKJNVKTVVHAV-ABAIWWIYSA-N 0 0 325.434 2.811 50 0 EFAARN COc1ccc(NC(=O)[C@@H](C)n2c(C)cc(C)nc2=O)cc1Cl ZINC000001994274 471400420 /nfs/dbraw/zinc/40/04/20/471400420.db2.gz AHAPNQYMLWVWKD-LLVKDONJSA-N 0 0 335.791 2.722 50 0 EFAARN Cc1cc(SC[C@@H]([NH3+])C(=O)[O-])c2cc(Br)ccc2n1 ZINC000002123137 471401157 /nfs/dbraw/zinc/40/11/57/471401157.db2.gz WBSWYRWWFYXCIJ-SNVBAGLBSA-N 0 0 341.230 2.810 50 0 biogenic EFAARN O=C(Nc1ccccc1F)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002113592 471401353 /nfs/dbraw/zinc/40/13/53/471401353.db2.gz SLOZLQNLFSJUEA-OLZOCXBDSA-N 0 0 327.359 2.639 50 0 biogenic EFAARN COC(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000002069892 471401367 /nfs/dbraw/zinc/40/13/67/471401367.db2.gz AXGAYPIRWLFTNE-UHFFFAOYSA-N 0 0 336.365 2.558 50 0 EFAARN CCOC(=O)C1CCN(Cc2cc(=O)oc3cc(C)c(O)cc23)CC1 ZINC000002118973 471401376 /nfs/dbraw/zinc/40/13/76/471401376.db2.gz RELBBFFEKDIJBQ-UHFFFAOYSA-N 0 0 345.395 2.582 50 0 biogenic EFAARN COC(=O)c1ccc(OS(=O)(=O)c2ccccc2Cl)cc1 ZINC000002117379 471401723 /nfs/dbraw/zinc/40/17/23/471401723.db2.gz VEGVSKPMZXENTP-UHFFFAOYSA-N 0 0 326.757 2.894 50 0 EFAARN CCn1c(C)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c1C ZINC000002127465 471401889 /nfs/dbraw/zinc/40/18/89/471401889.db2.gz XXODKAWTALDZCW-KAQJVSAMSA-N 0 0 336.413 2.723 50 0 EFAARN COCCNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000002179571 471402487 /nfs/dbraw/zinc/40/24/87/471402487.db2.gz IOEJFUZVHGZDIV-UHFFFAOYSA-N 0 0 344.249 2.888 50 0 EFAARN CCO[C@@]1(O)Oc2ccc3ccccc3c2[C@H]2NC(=O)N(C)C(C)=C21 ZINC000002161297 471402731 /nfs/dbraw/zinc/40/27/31/471402731.db2.gz BYSBMFGSGXRFEG-IEBWSBKVSA-N 0 0 340.379 2.885 50 0 biogenic EFAARN Cc1nnc(SCc2nc(N)nc(Nc3ccccc3)n2)s1 ZINC000002191151 471402835 /nfs/dbraw/zinc/40/28/35/471402835.db2.gz CGOFYZQEJSLNEW-UHFFFAOYSA-N 0 0 331.430 2.650 50 0 EFAARN CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000002181539 471403313 /nfs/dbraw/zinc/40/33/13/471403313.db2.gz IRPWZSMPFPXQNN-HNNXBMFYSA-N 0 0 331.416 2.740 50 0 biogenic EFAARN COc1cc(C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000002304361 471404887 /nfs/dbraw/zinc/40/48/87/471404887.db2.gz GKQDIYOLUVJFDL-UHFFFAOYSA-N 0 0 331.368 2.521 50 0 biogenic EFAARN COC(=O)[C@@](NC(=O)OC(C)C)(Nc1ccc(C)cc1)C(F)(F)F ZINC000002275045 471405853 /nfs/dbraw/zinc/40/58/53/471405853.db2.gz YOZZAZZOVRBEKQ-AWEZNQCLSA-N 0 0 348.321 2.973 50 0 EFAARN CCCCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C ZINC000002421714 471406590 /nfs/dbraw/zinc/40/65/90/471406590.db2.gz LFIWTCWXMULTPR-UHFFFAOYSA-N 0 0 325.412 2.814 50 0 EFAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2O)C1=O ZINC000002357028 471407076 /nfs/dbraw/zinc/40/70/76/471407076.db2.gz KSFPPDWCPLIYEA-FQEVSTJZSA-N 0 0 339.391 3.000 50 0 EFAARN CC(C)c1nc2oc3c(ncnc3N(C)CCO)c2c2c1CCC2 ZINC000002342939 471407154 /nfs/dbraw/zinc/40/71/54/471407154.db2.gz KGEWUGSIVMYVPV-UHFFFAOYSA-N 0 0 326.400 2.812 50 0 EFAARN CC[C@@H](C)OC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 ZINC000002417438 471407168 /nfs/dbraw/zinc/40/71/68/471407168.db2.gz RSQSQKFLPIIRIG-LLVKDONJSA-N 0 0 342.399 2.768 50 0 EFAARN O=S(=O)(NCCSCc1ccco1)c1ccc(F)cc1F ZINC000002381199 471407323 /nfs/dbraw/zinc/40/73/23/471407323.db2.gz LIXYLFVVMJMMNR-UHFFFAOYSA-N 0 0 333.381 2.770 50 0 EFAARN Cc1ccc(N[C@@]2(C(F)(F)F)NC(c3ccccc3)=NC2=O)nc1 ZINC000002377547 471407416 /nfs/dbraw/zinc/40/74/16/471407416.db2.gz UXLMYRNYNPNTTR-OAHLLOKOSA-N 0 0 334.301 2.637 50 0 EFAARN COCCn1c(C)cc(C(=O)CSc2nnc3ccccn32)c1C ZINC000002489069 471409691 /nfs/dbraw/zinc/40/96/91/471409691.db2.gz ZFNZRIFVOJIMIS-UHFFFAOYSA-N 0 0 344.440 2.769 50 0 EFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1 ZINC000002591220 471411473 /nfs/dbraw/zinc/41/14/73/471411473.db2.gz YPCOWPQYYMWOSA-UHFFFAOYSA-N 0 0 328.412 2.902 50 0 EFAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/CC(C)C ZINC000002549936 471411798 /nfs/dbraw/zinc/41/17/98/471411798.db2.gz KRZDBXJGXMHTMF-DKISHCGFSA-N 0 0 328.412 2.971 50 0 EFAARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000002556716 471411881 /nfs/dbraw/zinc/41/18/81/471411881.db2.gz HDKMHRCLLPAOCC-KRWDZBQOSA-N 0 0 343.379 2.793 50 0 biogenic,in-vitro EFAARN CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000002621866 471412310 /nfs/dbraw/zinc/41/23/10/471412310.db2.gz KJXPCHKVXVBFAR-UHFFFAOYSA-N 0 0 334.322 2.826 50 0 EFAARN COc1ccccc1C(=O)OCC(=O)Nc1ccc(N(C)C)cc1 ZINC000002632166 471413485 /nfs/dbraw/zinc/41/34/85/471413485.db2.gz IMEPEVPFNUTGEP-UHFFFAOYSA-N 0 0 328.368 2.557 50 0 EFAARN Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000002651905 471415206 /nfs/dbraw/zinc/41/52/06/471415206.db2.gz GSWWKMKEEYPCBQ-UHFFFAOYSA-N 0 0 330.453 2.912 50 0 EFAARN c1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1 ZINC000002688942 471416680 /nfs/dbraw/zinc/41/66/80/471416680.db2.gz VMFFFAVFLDKDOW-UHFFFAOYSA-N 0 0 331.379 2.781 50 0 EFAARN 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/nfs/dbraw/zinc/49/97/42/471499742.db2.gz LZLWZBAGEMFMAO-UHFFFAOYSA-N 0 0 329.414 2.541 50 0 EFAARN O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000005322056 471499763 /nfs/dbraw/zinc/49/97/63/471499763.db2.gz ZUNSCLJFUXMNEI-UHFFFAOYSA-N 0 0 346.749 2.613 50 0 EFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccs1 ZINC000005339290 471500018 /nfs/dbraw/zinc/50/00/18/471500018.db2.gz VHHHWFCEXRCXRG-UHFFFAOYSA-N 0 0 336.438 2.849 50 0 EFAARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccc(F)c1 ZINC000005339161 471500158 /nfs/dbraw/zinc/50/01/58/471500158.db2.gz GRPCOEPFGXVUBF-UHFFFAOYSA-N 0 0 334.372 2.618 50 0 EFAARN CC(C)[C@@H]1NC(=O)N(c2ccc3c(c2)O[C@@H](c2ccncc2)N3)C1=O ZINC000005351880 471501046 /nfs/dbraw/zinc/50/10/46/471501046.db2.gz CYSXMWCFRJWGKW-HOTGVXAUSA-N 0 0 338.367 2.666 50 0 EFAARN CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3)ccc21 ZINC000005375475 471502653 /nfs/dbraw/zinc/50/26/53/471502653.db2.gz KORHJCSFHHHBQF-UHFFFAOYSA-N 0 0 330.409 2.651 50 0 EFAARN O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1cccc(Cl)c1 ZINC000005387959 471502847 /nfs/dbraw/zinc/50/28/47/471502847.db2.gz NNABTIPWXORPRK-UHFFFAOYSA-N 0 0 329.743 2.795 50 0 EFAARN COC(=O)c1ccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)o1 ZINC000005388500 471503557 /nfs/dbraw/zinc/50/35/57/471503557.db2.gz HQFPPQMPWCVROA-UHFFFAOYSA-N 0 0 344.754 2.992 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)cc1C ZINC000005401669 471503634 /nfs/dbraw/zinc/50/36/34/471503634.db2.gz KYEXADIFWXITRJ-UHFFFAOYSA-N 0 0 347.418 2.844 50 0 EFAARN COc1ccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000005440610 471505673 /nfs/dbraw/zinc/50/56/73/471505673.db2.gz OQFXBWSOGNHPPQ-UHFFFAOYSA-N 0 0 340.379 2.840 50 0 EFAARN O=C(COc1ccccc1F)Nc1cccc(N2CCCC2=O)c1 ZINC000005440595 471506154 /nfs/dbraw/zinc/50/61/54/471506154.db2.gz HWOVJLQVTYYXTP-UHFFFAOYSA-N 0 0 328.343 2.970 50 0 EFAARN CN(C)c1ccc(NC(=O)CSc2nc3cccnc3[nH]2)cc1 ZINC000005458892 471506603 /nfs/dbraw/zinc/50/66/03/471506603.db2.gz YVHFLCARIWUTCP-UHFFFAOYSA-N 0 0 327.413 2.755 50 0 EFAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 ZINC000005459637 471506672 /nfs/dbraw/zinc/50/66/72/471506672.db2.gz WHEOLGGFCJQGHX-OAHLLOKOSA-N 0 0 326.352 2.665 50 0 biogenic EFAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-n2cnnn2)c1 ZINC000005484269 471508142 /nfs/dbraw/zinc/50/81/42/471508142.db2.gz KQDGCWSDLZNDFX-UHFFFAOYSA-N 0 0 332.367 2.715 50 0 EFAARN COC(=O)[C@H](O)[C@@H](Sc1ccccc1N)c1ccc(OC)cc1 ZINC000005570187 471511012 /nfs/dbraw/zinc/51/10/12/471511012.db2.gz MPWGGMIUPWSNEV-CVEARBPZSA-N 0 0 333.409 2.645 50 0 in-vitro EFAARN CC(C)(C)c1ccc(OC[C@@H](O)C[S@@](=O)c2ccccn2)cc1 ZINC000005563108 471511181 /nfs/dbraw/zinc/51/11/81/471511181.db2.gz LJMQGOKEKNJUKB-CMJOXMDJSA-N 0 0 333.453 2.927 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(F)c1 ZINC000005578925 471512538 /nfs/dbraw/zinc/51/25/38/471512538.db2.gz YDTGDHFVGZPARD-UHFFFAOYSA-N 0 0 333.315 2.882 50 0 EFAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000005637282 471514875 /nfs/dbraw/zinc/51/48/75/471514875.db2.gz 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/nfs/dbraw/zinc/51/97/39/471519739.db2.gz WWKSLCXRNRRYEO-HNNXBMFYSA-N 0 0 346.452 2.638 50 0 EFAARN Cn1[nH]c(-c2cccn(Cc3cccc(Cl)c3)c2=O)nc1=S ZINC000005753343 471520191 /nfs/dbraw/zinc/52/01/91/471520191.db2.gz HTTYMENNQCLMFS-UHFFFAOYSA-N 0 0 332.816 2.634 50 0 EFAARN CCOC(=O)CCC(=O)Nc1ccc(I)cc1 ZINC000005869159 471524905 /nfs/dbraw/zinc/52/49/05/471524905.db2.gz IGAMVECNBUNIPY-UHFFFAOYSA-N 0 0 347.152 2.573 50 0 EFAARN COc1ccccc1NC(=O)CSc1n[nH]c(-c2ccncc2)n1 ZINC000005911605 471525935 /nfs/dbraw/zinc/52/59/35/471525935.db2.gz PVEXDPPPISTTFE-UHFFFAOYSA-N 0 0 341.396 2.606 50 0 EFAARN COc1cccc(C(=O)Cn2c3ccccc3n3ncnc23)c1OC ZINC000006043666 471529505 /nfs/dbraw/zinc/52/95/05/471529505.db2.gz DBJRFEQDIPICAW-UHFFFAOYSA-N 0 0 336.351 2.584 50 0 EFAARN CN(C(=O)CSc1nnc(-c2cccnc2)o1)c1ccccc1 ZINC000006100356 471531827 /nfs/dbraw/zinc/53/18/27/471531827.db2.gz URBKUJYXKWLUHX-UHFFFAOYSA-N 0 0 326.381 2.887 50 0 EFAARN CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)s1 ZINC000006204958 471535215 /nfs/dbraw/zinc/53/52/15/471535215.db2.gz KXEYUASBWFOCKV-LLVKDONJSA-N 0 0 336.461 2.610 50 0 EFAARN COc1cc(NC(=O)CSc2nc3cccnc3[nH]2)cc(OC)c1 ZINC000006187466 471535852 /nfs/dbraw/zinc/53/58/52/471535852.db2.gz JVIYGXTZRDSALU-UHFFFAOYSA-N 0 0 344.396 2.706 50 0 EFAARN Cc1ccc(CNC(=S)N2CCN(c3cccc(O)c3)CC2)cc1 ZINC000006400633 471543612 /nfs/dbraw/zinc/54/36/12/471543612.db2.gz BGLQEEMVHFCZGB-UHFFFAOYSA-N 0 0 341.480 2.897 50 0 EFAARN CCOC(=O)c1ccc2nc(C(Cl)(Cl)Cl)[nH]c(=O)c2c1 ZINC000006493492 471546690 /nfs/dbraw/zinc/54/66/90/471546690.db2.gz FZKMKDLFWJUOBJ-UHFFFAOYSA-N 0 0 335.574 2.927 50 0 EFAARN COc1ccc(-n2cnnn2)c(NC(=O)c2ccccc2Cl)c1 ZINC000006468199 471547628 /nfs/dbraw/zinc/54/76/28/471547628.db2.gz NNTDZHVLWLVRSF-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN CC(=O)Nn1c(=O)c2c([nH]c1=S)sc(C)c2-c1ccccc1 ZINC000006527012 471548181 /nfs/dbraw/zinc/54/81/81/471548181.db2.gz SXQZZMNNONUMFW-UHFFFAOYSA-N 0 0 331.422 2.812 50 0 EFAARN CCn1c(CNC(=O)c2ccccc2Br)n[nH]c1=S ZINC000006605315 471554027 /nfs/dbraw/zinc/55/40/27/471554027.db2.gz BEKSHMPLWPBCDV-UHFFFAOYSA-N 0 0 341.234 2.653 50 0 EFAARN CCOC(=O)/C(C#N)=C/c1cc(Br)cc(OC)c1O ZINC000006612601 471554763 /nfs/dbraw/zinc/55/47/63/471554763.db2.gz XTMPKLSJZGSQTG-RUDMXATFSA-N 0 0 326.146 2.633 50 0 EFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3cccnc3)cc2O1 ZINC000006624127 471554877 /nfs/dbraw/zinc/55/48/77/471554877.db2.gz BAFQCNNJAQPFCU-UHFFFAOYSA-N 0 0 342.351 2.549 50 0 biogenic EFAARN Cc1coc2cc3oc(=O)c(CCC(=O)NC[C@H](C)O)c(C)c3cc12 ZINC000006624565 471555224 /nfs/dbraw/zinc/55/52/24/471555224.db2.gz MBHUYHKSRNAWHZ-NSHDSACASA-N 0 0 343.379 2.586 50 0 biogenic EFAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1nnc2ccccn21 ZINC000006670233 471558139 /nfs/dbraw/zinc/55/81/39/471558139.db2.gz IBCBIKCDJXMBIG-GFCCVEGCSA-N 0 0 344.802 2.509 50 0 EFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccccn3)cc2O1 ZINC000006669740 471558153 /nfs/dbraw/zinc/55/81/53/471558153.db2.gz RKRITLKTOHVAJV-UHFFFAOYSA-N 0 0 342.351 2.549 50 0 EFAARN CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 ZINC000006673681 471558502 /nfs/dbraw/zinc/55/85/02/471558502.db2.gz WKEMXQOQZQXSES-NWDGAFQWSA-N 0 0 348.852 2.574 50 0 EFAARN CCOC(=O)C1CCN(Cc2coc3ccc(C)cc3c2=O)CC1 ZINC000006667520 471558812 /nfs/dbraw/zinc/55/88/12/471558812.db2.gz XHBUZBJGCKJLQI-UHFFFAOYSA-N 0 0 329.396 2.877 50 0 EFAARN COC[C@@H](C)NC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000006670069 471559098 /nfs/dbraw/zinc/55/90/98/471559098.db2.gz IBYLHNKQAUGWMO-SNVBAGLBSA-N 0 0 328.397 2.518 50 0 EFAARN CCN(Cc1ccncc1)C(=O)c1cc(OC)c(OC)cc1OC ZINC000006698569 471560057 /nfs/dbraw/zinc/56/00/57/471560057.db2.gz GPKJOANUVLYRPW-UHFFFAOYSA-N 0 0 330.384 2.770 50 0 EFAARN Cc1nnc(NC(=O)CSc2nnc(C(C)C)n2C(C)C)s1 ZINC000006699950 471560781 /nfs/dbraw/zinc/56/07/81/471560781.db2.gz PHEKJYDQVNVIQC-UHFFFAOYSA-N 0 0 340.478 2.873 50 0 EFAARN CCc1nnc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)s1 ZINC000006702966 471560990 /nfs/dbraw/zinc/56/09/90/471560990.db2.gz UJFAQUKELFSVQQ-UHFFFAOYSA-N 0 0 346.441 2.616 50 0 EFAARN CS(=O)(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006703151 471561093 /nfs/dbraw/zinc/56/10/93/471561093.db2.gz CGHRANVQFXCFPX-UHFFFAOYSA-N 0 0 348.468 2.757 50 0 EFAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000006699816 471561123 /nfs/dbraw/zinc/56/11/23/471561123.db2.gz PQPJHTICYMPENG-UHFFFAOYSA-N 0 0 346.452 2.515 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)C ZINC000006702307 471561171 /nfs/dbraw/zinc/56/11/71/471561171.db2.gz PXKBTXDVPKXGJI-UHFFFAOYSA-N 0 0 338.473 2.698 50 0 EFAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000006701497 471561189 /nfs/dbraw/zinc/56/11/89/471561189.db2.gz OUKCTAGYYYSCCV-UHFFFAOYSA-N 0 0 329.421 2.978 50 0 EFAARN CC(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000006715898 471562192 /nfs/dbraw/zinc/56/21/92/471562192.db2.gz JMCOPNSFZRDRMS-UHFFFAOYSA-N 0 0 337.851 2.993 50 0 EFAARN Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc(F)cc2)n1 ZINC000006703343 471562218 /nfs/dbraw/zinc/56/22/18/471562218.db2.gz IHOQWONRHMMQLK-UHFFFAOYSA-N 0 0 347.371 2.663 50 0 EFAARN COc1cc(NC(=O)CSc2ncccn2)c(OC)cc1Cl ZINC000006728726 471563198 /nfs/dbraw/zinc/56/31/98/471563198.db2.gz XKOFMUCKSHDZAK-UHFFFAOYSA-N 0 0 339.804 2.878 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1C ZINC000006730871 471563712 /nfs/dbraw/zinc/56/37/12/471563712.db2.gz YMDFKKJLWAECPI-UHFFFAOYSA-N 0 0 343.379 2.980 50 0 EFAARN COc1ccccc1C1=NO[C@H](C(=O)Nc2cc(C)ccc2O)C1 ZINC000006738282 471564338 /nfs/dbraw/zinc/56/43/38/471564338.db2.gz LNQGJTGIUNAQNG-KRWDZBQOSA-N 0 0 326.352 2.841 50 0 EFAARN CCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000006746722 471565890 /nfs/dbraw/zinc/56/58/90/471565890.db2.gz IAIZGCDHWPXLIS-UHFFFAOYSA-N 0 0 338.473 2.694 50 0 EFAARN Cc1c(C(=O)Nc2ccc(F)cc2)cnc2nc(-c3ccncc3)nn21 ZINC000006764545 471566516 /nfs/dbraw/zinc/56/65/16/471566516.db2.gz OSIQQDKDECZRAU-UHFFFAOYSA-N 0 0 348.341 2.886 50 0 EFAARN CCOc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1ccccc1F ZINC000006755368 471566562 /nfs/dbraw/zinc/56/65/62/471566562.db2.gz PIRKJNCSZHGPLO-GOSISDBHSA-N 0 0 342.370 2.948 50 0 EFAARN O=C(Nc1nonc1-c1cccs1)[C@H]1COc2ccccc2O1 ZINC000006755578 471566655 /nfs/dbraw/zinc/56/66/55/471566655.db2.gz LMPLQWDGKDVNNB-LLVKDONJSA-N 0 0 329.337 2.577 50 0 EFAARN COc1ccc([C@H]2C[C@@H](c3ccccc3F)n3nnnc3N2)cc1 ZINC000006756037 471566978 /nfs/dbraw/zinc/56/69/78/471566978.db2.gz YKWFZKGZSYKIIT-CVEARBPZSA-N 0 0 325.347 2.967 50 0 EFAARN CC(C)CCn1c(=O)c2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000006805193 471570956 /nfs/dbraw/zinc/57/09/56/471570956.db2.gz VEOCPSWCODSODK-UHFFFAOYSA-N 0 0 341.386 2.792 50 0 EFAARN COc1ccc(-c2noc(-c3nnn(-c4ccc(C)cc4)c3N)n2)cc1 ZINC000006816893 471571682 /nfs/dbraw/zinc/57/16/82/471571682.db2.gz JECWQDBFDIAZGP-UHFFFAOYSA-N 0 0 348.366 2.884 50 0 EFAARN CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N ZINC000006868079 471574931 /nfs/dbraw/zinc/57/49/31/471574931.db2.gz BVXOYILBBDRIOJ-UHFFFAOYSA-N 0 0 348.366 2.965 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)no2)C1 ZINC000006872648 471575252 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Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2n3CCOC2)cc1 ZINC000008611869 471697157 /nfs/dbraw/zinc/69/71/57/471697157.db2.gz FCVIBFAPSAJJMC-UHFFFAOYSA-N 0 0 335.407 2.847 50 0 EFAARN O=C(Nc1nn2c(nc(-c3ccccc3)cc2=O)[nH]1)c1ccccc1 ZINC000008671269 471698849 /nfs/dbraw/zinc/69/88/49/471698849.db2.gz FBAXQJYYNCUZPY-UHFFFAOYSA-N 0 0 331.335 2.749 50 0 EFAARN COc1cc([C@@H]2NN=C3SC=C(c4ccccc4)N3N2)ccc1O ZINC000008715451 471699894 /nfs/dbraw/zinc/69/98/94/471699894.db2.gz PJLKCQDPPNDPMJ-MRXNPFEDSA-N 0 0 340.408 2.826 50 0 EFAARN CCNC(=O)c1ccccc1NC(=O)c1ccccc1OCCOC ZINC000008722952 471701155 /nfs/dbraw/zinc/70/11/55/471701155.db2.gz CKJSLOMQUAWKRD-UHFFFAOYSA-N 0 0 342.395 2.714 50 0 EFAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1CC(C)C ZINC000008739137 471703935 /nfs/dbraw/zinc/70/39/35/471703935.db2.gz YUCKJDOCUZZFPX-ZDUSSCGKSA-N 0 0 342.403 2.607 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(c2ncccn2)C1 ZINC000009052172 471709173 /nfs/dbraw/zinc/70/91/73/471709173.db2.gz BXQUXFGGWSZZFD-MRXNPFEDSA-N 0 0 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/nfs/dbraw/zinc/80/72/80/471807280.db2.gz OGTPHECEGPFRFL-KBPBESRZSA-N 0 0 346.814 2.928 50 0 EFAARN C[C@@H](Sc1nc2c3ccccc3ncn2n1)C(=O)NC(C)(C)C ZINC000012981323 471809433 /nfs/dbraw/zinc/80/94/33/471809433.db2.gz ZXEXKAIDFJEMQX-SNVBAGLBSA-N 0 0 329.429 2.673 50 0 EFAARN COc1ccc(CC(=O)NCCc2ccc3c(c2)CCCN3C)cc1 ZINC000013006626 471813240 /nfs/dbraw/zinc/81/32/40/471813240.db2.gz NTCFXOMZPFHNGR-UHFFFAOYSA-N 0 0 338.451 2.979 50 0 EFAARN COc1ccc(-n2ncc3c2ncnc3NCCCn2ccnc2)cc1 ZINC000013115833 471816118 /nfs/dbraw/zinc/81/61/18/471816118.db2.gz GGFNTNFAOUSLAS-UHFFFAOYSA-N 0 0 349.398 2.523 50 0 EFAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c1C ZINC000013110921 471816188 /nfs/dbraw/zinc/81/61/88/471816188.db2.gz ZZIBQJNADCFXAX-UHFFFAOYSA-N 0 0 343.452 2.996 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)n2ncnc2N1 ZINC000013125264 471817569 /nfs/dbraw/zinc/81/75/69/471817569.db2.gz KJQNCQFLDAOLDZ-INIZCTEOSA-N 0 0 332.367 2.601 50 0 EFAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccccn1 ZINC000013127095 471817628 /nfs/dbraw/zinc/81/76/28/471817628.db2.gz AETZFSMSDBSZLT-KRWDZBQOSA-N 0 0 347.378 2.662 50 0 EFAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]c1=S ZINC000013133186 471817890 /nfs/dbraw/zinc/81/78/90/471817890.db2.gz SWLOBISURNTJLA-UHFFFAOYSA-N 0 0 325.459 2.893 50 0 EFAARN CCSc1nnc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)s1 ZINC000013125514 471817956 /nfs/dbraw/zinc/81/79/56/471817956.db2.gz BTVSDLYWPOFVRQ-UHFFFAOYSA-N 0 0 347.425 2.998 50 0 EFAARN COCCCNC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C ZINC000013331357 471825900 /nfs/dbraw/zinc/82/59/00/471825900.db2.gz WPAWWVMUBCSPBP-UHFFFAOYSA-N 0 0 334.395 2.845 50 0 EFAARN O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000013331707 471825913 /nfs/dbraw/zinc/82/59/13/471825913.db2.gz TWPQGOVKYMYAIH-UHFFFAOYSA-N 0 0 342.370 2.512 50 0 EFAARN O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cccc(F)c2)CC1 ZINC000013327343 471826313 /nfs/dbraw/zinc/82/63/13/471826313.db2.gz SNIOBRZBTOXLLO-UHFFFAOYSA-N 0 0 342.370 2.512 50 0 EFAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000013325194 471826526 /nfs/dbraw/zinc/82/65/26/471826526.db2.gz PPOBQQBBSFKPSH-UHFFFAOYSA-N 0 0 340.427 2.748 50 0 EFAARN CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(N)=O)C1 ZINC000013327303 471826676 /nfs/dbraw/zinc/82/66/76/471826676.db2.gz DPZRWTGOFFPCBE-VIFPVBQESA-N 0 0 333.413 2.911 50 0 EFAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)[nH]n2)cc1 ZINC000013366589 471827308 /nfs/dbraw/zinc/82/73/08/471827308.db2.gz DIWLKZGSVCWOGX-UHFFFAOYSA-N 0 0 347.422 2.743 50 0 EFAARN CC(C)Cc1cc(-c2nn3c(nnc3-c3cccnc3)s2)n[nH]1 ZINC000013548547 471832081 /nfs/dbraw/zinc/83/20/81/471832081.db2.gz BOFJZHSUODKZPQ-UHFFFAOYSA-N 0 0 325.401 2.836 50 0 EFAARN C[C@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)Nc1nccs1 ZINC000013549509 471832776 /nfs/dbraw/zinc/83/27/76/471832776.db2.gz PIHUAZOQZCMOGB-YFKPBYRVSA-N 0 0 340.821 2.582 50 0 EFAARN Cn1ncc2c1nc(C1CC1)cc2C(=O)Nc1nc2ccccc2n1C ZINC000013640663 471836483 /nfs/dbraw/zinc/83/64/83/471836483.db2.gz WVSIYFVJAQNQTR-UHFFFAOYSA-N 0 0 346.394 2.985 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2ccc(-n3nncc3C)cc2)cc1 ZINC000013682959 471837126 /nfs/dbraw/zinc/83/71/26/471837126.db2.gz WTJMFYIPQSRBBT-UHFFFAOYSA-N 0 0 336.351 2.615 50 0 EFAARN Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCc2ccccc2C1 ZINC000013680167 471837364 /nfs/dbraw/zinc/83/73/64/471837364.db2.gz VFYNGXJSMQEBLD-UHFFFAOYSA-N 0 0 344.436 2.565 50 0 EFAARN CCN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(C)(=O)=O ZINC000013679877 471837399 /nfs/dbraw/zinc/83/73/99/471837399.db2.gz MHVQJKFWLHCMTM-UHFFFAOYSA-N 0 0 336.388 2.864 50 0 EFAARN CC(=O)N1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 ZINC000013696081 471838574 /nfs/dbraw/zinc/83/85/74/471838574.db2.gz WXUHYARSYSGTLR-UHFFFAOYSA-N 0 0 328.343 2.752 50 0 EFAARN CC(=O)N1CCc2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc21 ZINC000013697090 471838949 /nfs/dbraw/zinc/83/89/49/471838949.db2.gz WCWLGHFXFNPYBN-UHFFFAOYSA-N 0 0 344.436 2.846 50 0 EFAARN Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(O)c2)C3)cc1 ZINC000013692676 471839094 /nfs/dbraw/zinc/83/90/94/471839094.db2.gz 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/nfs/dbraw/zinc/84/08/10/471840810.db2.gz HTNYIUYSXYGLLG-UHFFFAOYSA-N 0 0 348.349 2.522 50 0 EFAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nccs1 ZINC000013730715 471840929 /nfs/dbraw/zinc/84/09/29/471840929.db2.gz HWZKKHFINUKALL-UHFFFAOYSA-N 0 0 345.453 2.593 50 0 EFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccsc2)c(C)c1 ZINC000013725016 471841198 /nfs/dbraw/zinc/84/11/98/471841198.db2.gz DJWAXHTWJNIRAH-UHFFFAOYSA-N 0 0 338.454 2.884 50 0 EFAARN COC(=O)c1ccccc1NC(=S)N(C)CCc1ccccn1 ZINC000013719156 471841226 /nfs/dbraw/zinc/84/12/26/471841226.db2.gz HZUZDRBEBIJSNO-UHFFFAOYSA-N 0 0 329.425 2.740 50 0 EFAARN O=C(NCCCn1ccnc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000013722826 471841356 /nfs/dbraw/zinc/84/13/56/471841356.db2.gz WPQNMFJKZCKFJK-UHFFFAOYSA-N 0 0 337.305 2.598 50 0 EFAARN c1c(-c2nn3c(nnc3-c3cnccn3)s2)noc1-c1ccccc1 ZINC000013731629 471841484 /nfs/dbraw/zinc/84/14/84/471841484.db2.gz JZANSKUPAXPQHD-UHFFFAOYSA-N 0 0 347.363 2.965 50 0 EFAARN Cc1ccc2c(c1)N(CC(=O)Nc1cccc3ncccc31)C(=O)CO2 ZINC000013731820 471841501 /nfs/dbraw/zinc/84/15/01/471841501.db2.gz WXLPSGRQWKVNBZ-UHFFFAOYSA-N 0 0 347.374 2.907 50 0 EFAARN O=C(COc1ccccc1F)N1CCN(c2ccccc2F)CC1 ZINC000013745777 471842369 /nfs/dbraw/zinc/84/23/69/471842369.db2.gz PMEUSTSPKRUMOH-UHFFFAOYSA-N 0 0 332.350 2.692 50 0 EFAARN O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc2ccccc21 ZINC000013942783 471845004 /nfs/dbraw/zinc/84/50/04/471845004.db2.gz XTSQBPYKRQYRGP-SQNIBIBYSA-N 0 0 337.423 2.568 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000013947355 471845595 /nfs/dbraw/zinc/84/55/95/471845595.db2.gz DAFNDSHACJISED-UHFFFAOYSA-N 0 0 348.443 2.953 50 0 EFAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4ccco4)cc3)nn12 ZINC000013945853 471845719 /nfs/dbraw/zinc/84/57/19/471845719.db2.gz POIHQCWIEKIJJN-UHFFFAOYSA-N 0 0 339.380 2.684 50 0 EFAARN CCC[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000013955163 471847024 /nfs/dbraw/zinc/84/70/24/471847024.db2.gz QWBQABYQGIXION-JSGCOSHPSA-N 0 0 344.411 2.836 50 0 EFAARN CS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014226267 471863364 /nfs/dbraw/zinc/86/33/64/471863364.db2.gz CQPMZYQMHLOWKI-UHFFFAOYSA-N 0 0 327.409 2.589 50 0 EFAARN O=S(=O)(NCc1cccc(Cl)c1)c1cccc2nsnc21 ZINC000014225340 471863759 /nfs/dbraw/zinc/86/37/59/471863759.db2.gz JOCJFBYFTYTVHT-UHFFFAOYSA-N 0 0 339.829 2.823 50 0 EFAARN CCCCS(=O)(=O)Nc1ccc(I)cc1 ZINC000014254456 471866953 /nfs/dbraw/zinc/86/69/53/471866953.db2.gz IPSHRQHHNJOXQV-UHFFFAOYSA-N 0 0 339.198 2.833 50 0 EFAARN CCCC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1OC ZINC000014291274 471868570 /nfs/dbraw/zinc/86/85/70/471868570.db2.gz JZVSQQZTUONJNQ-UHFFFAOYSA-N 0 0 331.401 2.908 50 0 EFAARN CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C)CC2 ZINC000014748280 471878983 /nfs/dbraw/zinc/87/89/83/471878983.db2.gz KKFHSNFUGJIXEF-UHFFFAOYSA-N 0 0 327.428 2.681 50 0 EFAARN O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1 ZINC000014882955 471880808 /nfs/dbraw/zinc/88/08/08/471880808.db2.gz KAVSRJBHZURNJR-LJQANCHMSA-N 0 0 344.386 2.707 50 0 EFAARN COc1ccc(OC)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 ZINC000014898801 471881517 /nfs/dbraw/zinc/88/15/17/471881517.db2.gz HOMZLXRPVVIISE-UHFFFAOYSA-N 0 0 340.383 2.855 50 0 EFAARN O=C(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1csnn1 ZINC000014964080 471882575 /nfs/dbraw/zinc/88/25/75/471882575.db2.gz WPHUBZBRMZBAJR-SNVBAGLBSA-N 0 0 345.453 2.547 50 0 EFAARN CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000014966616 471883080 /nfs/dbraw/zinc/88/30/80/471883080.db2.gz HVHDPDWJEANHJQ-FQEVSTJZSA-N 0 0 344.455 2.836 50 0 EFAARN COc1cc(CN2CCO[C@@H](Cc3ccccc3)C2)cc2c1OCO2 ZINC000014955599 471883318 /nfs/dbraw/zinc/88/33/18/471883318.db2.gz CPRZASAQWWNAGT-KRWDZBQOSA-N 0 0 341.407 2.867 50 0 EFAARN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)C1CCC1 ZINC000014976094 471883816 /nfs/dbraw/zinc/88/38/16/471883816.db2.gz YMSHDXGZDRLGBB-KRWDZBQOSA-N 0 0 338.411 2.602 50 0 EFAARN CCC(CC)C(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000014992902 471884502 /nfs/dbraw/zinc/88/45/02/471884502.db2.gz DSLVLFWZCLPLMQ-INIZCTEOSA-N 0 0 325.412 3.000 50 0 EFAARN CCOc1ccccc1-c1nnc(SCC(=O)N2CCCC2)o1 ZINC000015019465 471885278 /nfs/dbraw/zinc/88/52/78/471885278.db2.gz GEOJNSUPKRMQDS-UHFFFAOYSA-N 0 0 333.413 2.850 50 0 EFAARN COC(=O)c1ccc(I)c(Br)c1 ZINC000015042973 471886556 /nfs/dbraw/zinc/88/65/56/471886556.db2.gz OIMBMPVAESWCEA-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN CN(Cc1cccc2cnccc21)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 ZINC000015070843 471887318 /nfs/dbraw/zinc/88/73/18/471887318.db2.gz JXXCDZFLDWIZIO-INIZCTEOSA-N 0 0 337.423 2.594 50 0 EFAARN CC(C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000015064089 471888023 /nfs/dbraw/zinc/88/80/23/471888023.db2.gz LCEOSIVJJIZRMR-LBPRGKRZSA-N 0 0 328.334 2.579 50 0 EFAARN CC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 ZINC000015081898 471888567 /nfs/dbraw/zinc/88/85/67/471888567.db2.gz FIVMPLJATOVZSH-UHFFFAOYSA-N 0 0 336.351 2.906 50 0 EFAARN O=C(C1CCC1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000015074051 471889403 /nfs/dbraw/zinc/88/94/03/471889403.db2.gz WBYPHXBRTPFTQT-FQEVSTJZSA-N 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CCOC(=O)C1C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(O)cc1 ZINC000028296236 472221462 /nfs/dbraw/zinc/22/14/62/472221462.db2.gz ZKSDQQBWLXKSRN-CYBMUJFWSA-N 0 0 346.412 2.558 50 0 EFAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1Cl ZINC000028403945 472224123 /nfs/dbraw/zinc/22/41/23/472224123.db2.gz GJOMHECAOISDTL-UHFFFAOYSA-N 0 0 346.770 2.956 50 0 EFAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccnc2)n1C ZINC000028624911 472229707 /nfs/dbraw/zinc/22/97/07/472229707.db2.gz LLLJDMDVSRSJAP-JSGCOSHPSA-N 0 0 345.472 2.664 50 0 EFAARN CC(C)CC(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000028621430 472230675 /nfs/dbraw/zinc/23/06/75/472230675.db2.gz QIQRNRDVEVJZCM-LBPRGKRZSA-N 0 0 341.477 2.525 50 0 EFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)cc1 ZINC000085412918 472246087 /nfs/dbraw/zinc/24/60/87/472246087.db2.gz CZLGYEZOCINKGQ-WMLDXEAASA-N 0 0 338.315 2.565 50 0 EFAARN CSc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccccc1 ZINC000085436525 472247796 /nfs/dbraw/zinc/24/77/96/472247796.db2.gz 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GDRQTTVTBJXAKD-UHFFFAOYSA-N 0 0 334.372 2.977 50 0 EFAARN COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(F)cc1C ZINC000085474407 472253476 /nfs/dbraw/zinc/25/34/76/472253476.db2.gz UTSYGOYHEYCXMO-UHFFFAOYSA-N 0 0 327.377 2.564 50 0 EFAARN CC[C@@H](C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000085559043 472257227 /nfs/dbraw/zinc/25/72/27/472257227.db2.gz ZVKVDDKNLSQWKA-QZTJIDSGSA-N 0 0 325.408 2.965 50 0 EFAARN Cc1nc(C(C)(C)C)cc(=O)n1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000085558562 472257326 /nfs/dbraw/zinc/25/73/26/472257326.db2.gz TWFVFJWAFDOEKB-UHFFFAOYSA-N 0 0 339.439 2.977 50 0 EFAARN Cc1cc(=O)c(O)c(C(c2ccccc2)c2oc(C)cc(=O)c2O)o1 ZINC000085879088 472269836 /nfs/dbraw/zinc/26/98/36/472269836.db2.gz UGZSMRKCRIKPIN-UHFFFAOYSA-N 0 0 340.331 2.801 50 0 biogenic EFAARN CN(C)c1cccc(C(=O)NCC2CCN(c3ccccn3)CC2)c1 ZINC000043975638 472277138 /nfs/dbraw/zinc/27/71/38/472277138.db2.gz YRQHDNMKUKDIKZ-UHFFFAOYSA-N 0 0 338.455 2.794 50 0 EFAARN O=C(NCC1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 ZINC000043976970 472277239 /nfs/dbraw/zinc/27/72/39/472277239.db2.gz WTBWOSQJGQXTLY-UHFFFAOYSA-N 0 0 336.395 2.869 50 0 EFAARN CCCc1cc(C(=O)N2CCN(c3ccccc3OCC)CC2)[nH]n1 ZINC000029541065 472281108 /nfs/dbraw/zinc/28/11/08/472281108.db2.gz HULKOLJJZCFONC-UHFFFAOYSA-N 0 0 342.443 2.723 50 0 EFAARN COC(=O)c1cccc(C[C@@H]2COc3ccc(OC)cc3C2=O)c1 ZINC000044124023 472285673 /nfs/dbraw/zinc/28/56/73/472285673.db2.gz KHPUHUAMLMEFTH-CQSZACIVSA-N 0 0 326.348 2.916 50 0 EFAARN COc1cccc(CCNC(=O)c2csc(-c3cnccn3)n2)c1 ZINC000044124111 472285840 /nfs/dbraw/zinc/28/58/40/472285840.db2.gz PKKBRDMRMYSWBB-UHFFFAOYSA-N 0 0 340.408 2.581 50 0 EFAARN CCOC(=O)Cn1cnc2c(-c3cccc(C)c3)csc2c1=O ZINC000044166995 472287545 /nfs/dbraw/zinc/28/75/45/472287545.db2.gz ZUKKEEFAVJXKAZ-UHFFFAOYSA-N 0 0 328.393 2.997 50 0 EFAARN Cc1csc(C(=O)N[C@@H]2CCCC[C@@H]2N2C(=O)CSC2=O)c1 ZINC000044226106 472291410 /nfs/dbraw/zinc/29/14/10/472291410.db2.gz SLGJHOVGZJHSNS-MNOVXSKESA-N 0 0 338.454 2.793 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069413878 472336265 /nfs/dbraw/zinc/33/62/65/472336265.db2.gz ZVMNVVRJNAZWKU-OLZOCXBDSA-N 0 0 344.381 2.890 50 0 EFAARN Cn1ncnc1CCNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000087435926 472336745 /nfs/dbraw/zinc/33/67/45/472336745.db2.gz MVXQUIAYUCGOMO-UHFFFAOYSA-N 0 0 330.775 2.701 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)CCCOCc2ccccc2)CC1 ZINC000069415736 472337489 /nfs/dbraw/zinc/33/74/89/472337489.db2.gz LXEUJQLCQDAEGO-UHFFFAOYSA-N 0 0 342.443 2.518 50 0 EFAARN NC(=O)C1CCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000044838727 472342724 /nfs/dbraw/zinc/34/27/24/472342724.db2.gz FZNLFTGNYDNOOO-UHFFFAOYSA-N 0 0 348.406 2.567 50 0 EFAARN CCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1oc2ccc(F)cc2c1C ZINC000069457378 472348534 /nfs/dbraw/zinc/34/85/34/472348534.db2.gz WKJRSSRLDCUCFP-GWCFXTLKSA-N 0 0 335.379 2.895 50 0 EFAARN O=S(=O)(NCCOc1cccc2cccnc21)c1ccccc1 ZINC000030836341 472349752 /nfs/dbraw/zinc/34/97/52/472349752.db2.gz CBGPSOSYNMIMCB-UHFFFAOYSA-N 0 0 328.393 2.592 50 0 EFAARN CC(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 ZINC000044903921 472351167 /nfs/dbraw/zinc/35/11/67/472351167.db2.gz QNQHBWHBFMITAL-UHFFFAOYSA-N 0 0 341.415 2.855 50 0 EFAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000030855795 472351846 /nfs/dbraw/zinc/35/18/46/472351846.db2.gz KLRKSIJDXKCQRL-GFCCVEGCSA-N 0 0 339.819 2.909 50 0 EFAARN Cc1[nH]ccc(=O)c1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000044918622 472353554 /nfs/dbraw/zinc/35/35/54/472353554.db2.gz IXYZYSDEPQNHSU-UHFFFAOYSA-N 0 0 340.423 2.543 50 0 EFAARN COc1ncccc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000069486116 472353576 /nfs/dbraw/zinc/35/35/76/472353576.db2.gz NAAULSQQEVEZDM-UHFFFAOYSA-N 0 0 348.362 2.990 50 0 EFAARN O=C(Cn1ccn(-c2cccc(Cl)c2)c1=O)Nc1ccccc1 ZINC000030952981 472355606 /nfs/dbraw/zinc/35/56/06/472355606.db2.gz DAJDNMLUWWGATB-UHFFFAOYSA-N 0 0 327.771 2.931 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000031178449 472366048 /nfs/dbraw/zinc/36/60/48/472366048.db2.gz SUPUZCJZUKGFMP-GOSISDBHSA-N 0 0 345.418 2.709 50 0 EFAARN Cc1nc(C)c(CC(=O)NCC2(c3ccccc3)CCCC2)c(=O)[nH]1 ZINC000031227710 472368460 /nfs/dbraw/zinc/36/84/60/472368460.db2.gz XSVINISNISYCQI-UHFFFAOYSA-N 0 0 339.439 2.557 50 0 EFAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C(C)C)C3 ZINC000057140961 472384694 /nfs/dbraw/zinc/38/46/94/472384694.db2.gz MCUCKDKKYLUMDI-UHFFFAOYSA-N 0 0 345.395 2.686 50 0 EFAARN COc1cc(C(=O)NCc2ccccn2)c(-n2cccc2)cc1OC ZINC000031820265 472398532 /nfs/dbraw/zinc/39/85/32/472398532.db2.gz CCNKKFCVEJYXFN-UHFFFAOYSA-N 0 0 337.379 2.820 50 0 EFAARN CN1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000031865336 472399352 /nfs/dbraw/zinc/39/93/52/472399352.db2.gz NPKDFCKKBVNENF-UHFFFAOYSA-N 0 0 335.860 2.780 50 0 EFAARN CS(=O)(=O)C1(C(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000069707802 472404834 /nfs/dbraw/zinc/40/48/34/472404834.db2.gz GIGAKZFGZHUHSP-UHFFFAOYSA-N 0 0 346.246 2.745 50 0 EFAARN NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000032074135 472411830 /nfs/dbraw/zinc/41/18/30/472411830.db2.gz YYCPEZZEDZDZRD-LJQANCHMSA-N 0 0 347.418 2.780 50 0 EFAARN O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc2c(c1)OCO2 ZINC000032074255 472412795 /nfs/dbraw/zinc/41/27/95/472412795.db2.gz DMFXNSVOUAZSDI-UHFFFAOYSA-N 0 0 327.365 2.844 50 0 EFAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H](c1ccccc1)n1cnnn1 ZINC000032071869 472412962 /nfs/dbraw/zinc/41/29/62/472412962.db2.gz VSNXLXMJMXQXKG-CQSZACIVSA-N 0 0 331.738 2.694 50 0 EFAARN COC(=O)c1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)cc1 ZINC000032094681 472413722 /nfs/dbraw/zinc/41/37/22/472413722.db2.gz SQYKEYVASBXWFF-UHFFFAOYSA-N 0 0 341.392 2.902 50 0 EFAARN COc1ccccc1-n1cnc2cc(C(=O)N3CCCC3)ccc2c1=O ZINC000032095379 472414382 /nfs/dbraw/zinc/41/43/82/472414382.db2.gz FILIOKCPDUEDRX-UHFFFAOYSA-N 0 0 349.390 2.630 50 0 EFAARN Cc1sc2nc(NCCO)n3nc(-c4ccco4)nc3c2c1C ZINC000032091996 472414542 /nfs/dbraw/zinc/41/45/42/472414542.db2.gz IUIVFBSDVUOPFE-UHFFFAOYSA-N 0 0 329.385 2.620 50 0 EFAARN COc1c2c(c(NC(=O)C3CCCC3)c3c1CN(C)CC3)OCO2 ZINC000032124535 472415451 /nfs/dbraw/zinc/41/54/51/472415451.db2.gz QNAVCRWJIYMJSE-UHFFFAOYSA-N 0 0 332.400 2.541 50 0 biogenic EFAARN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1 ZINC000032115121 472416040 /nfs/dbraw/zinc/41/60/40/472416040.db2.gz FDNNZOJDYOATJZ-UHFFFAOYSA-N 0 0 341.436 2.650 50 0 EFAARN O=C(NCc1ccccc1)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000032100813 472416281 /nfs/dbraw/zinc/41/62/81/472416281.db2.gz HJLHTCHZBONOMV-UHFFFAOYSA-N 0 0 339.424 2.533 50 0 EFAARN O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000032100820 472416423 /nfs/dbraw/zinc/41/64/23/472416423.db2.gz YTQCFJYASZPOFK-ZDUSSCGKSA-N 0 0 328.343 2.519 50 0 EFAARN O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000032100823 472416585 /nfs/dbraw/zinc/41/65/85/472416585.db2.gz YTQCFJYASZPOFK-CYBMUJFWSA-N 0 0 328.343 2.519 50 0 EFAARN CCCn1c(SCC(=O)NC(C)(C)C)nc2ccsc2c1=O ZINC000057425288 472431790 /nfs/dbraw/zinc/43/17/90/472431790.db2.gz ADFSUQXIBSXMOF-UHFFFAOYSA-N 0 0 339.486 2.875 50 0 EFAARN CCCNC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C ZINC000057426280 472432743 /nfs/dbraw/zinc/43/27/43/472432743.db2.gz FVHICDNJCDXNPB-UHFFFAOYSA-N 0 0 339.486 2.732 50 0 EFAARN CSc1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cc1 ZINC000057427611 472433189 /nfs/dbraw/zinc/43/31/89/472433189.db2.gz NKAAUFZYRJMGHC-UHFFFAOYSA-N 0 0 347.440 2.797 50 0 EFAARN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc2c(c1)OCO2 ZINC000032497769 472441109 /nfs/dbraw/zinc/44/11/09/472441109.db2.gz CPTRSYSOWQMOOA-UHFFFAOYSA-N 0 0 337.335 2.738 50 0 EFAARN COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCn2cccc2[C@@H]1C ZINC000032534851 472442678 /nfs/dbraw/zinc/44/26/78/472442678.db2.gz ONNYZGVUHXJIML-WFASDCNBSA-N 0 0 339.395 2.526 50 0 EFAARN O=C(CCC(=O)OC[C@H](F)C(F)(F)C(F)F)NC1CCCCC1 ZINC000032581194 472443671 /nfs/dbraw/zinc/44/36/71/472443671.db2.gz KYDYBWCTFVREJJ-JTQLQIEISA-N 0 0 345.308 2.997 50 0 EFAARN CCCNC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000057486630 472444640 /nfs/dbraw/zinc/44/46/40/472444640.db2.gz DPDLXLHEOBBPFM-UHFFFAOYSA-N 0 0 328.347 2.870 50 0 EFAARN O=C(NCc1ccccc1F)c1cn(-c2ccccc2Cl)nn1 ZINC000057511552 472447122 /nfs/dbraw/zinc/44/71/22/472447122.db2.gz FUBRESFVLYUBBT-UHFFFAOYSA-N 0 0 330.750 2.990 50 0 EFAARN Cc1ccc(NC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000057530869 472448958 /nfs/dbraw/zinc/44/89/58/472448958.db2.gz HWYSGACSOJQEIK-UHFFFAOYSA-N 0 0 347.459 2.923 50 0 EFAARN Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000057526383 472449216 /nfs/dbraw/zinc/44/92/16/472449216.db2.gz MWQLZXWHTGEOSC-UHFFFAOYSA-N 0 0 337.354 2.997 50 0 EFAARN O=C(NCC[C@@H](O)c1cccs1)c1cc2ccccc2oc1=O ZINC000077113937 472455031 /nfs/dbraw/zinc/45/50/31/472455031.db2.gz VXPVAHSEEUDJTR-CYBMUJFWSA-N 0 0 329.377 2.708 50 0 EFAARN COc1cccc(-c2cc(C(=O)N(C)Cc3c(C)noc3C)[nH]n2)c1 ZINC000089529316 472457136 /nfs/dbraw/zinc/45/71/36/472457136.db2.gz ZJDVXKPSRLYMSU-UHFFFAOYSA-N 0 0 340.383 2.962 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000128601045 472472809 /nfs/dbraw/zinc/47/28/09/472472809.db2.gz HCEZOTDNLPBDAN-OAHLLOKOSA-N 0 0 330.819 2.813 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000128600814 472473502 /nfs/dbraw/zinc/47/35/02/472473502.db2.gz HCEZOTDNLPBDAN-HNNXBMFYSA-N 0 0 330.819 2.813 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Cc3ccc(C)cc3S1)C2 ZINC000097198050 472473759 /nfs/dbraw/zinc/47/37/59/472473759.db2.gz NXUUBRDAUUXTCU-GOEBONIOSA-N 0 0 327.453 2.648 50 0 EFAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccnc(-n3cnnc3)c1)C2 ZINC000097179436 472473824 /nfs/dbraw/zinc/47/38/24/472473824.db2.gz BHVADHQBFDANKE-RDTXWAMCSA-N 0 0 325.416 2.703 50 0 EFAARN Cc1nnc2n1C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000097198139 472474271 /nfs/dbraw/zinc/47/42/71/472474271.db2.gz YHEDEJVWLSBMAI-GOSISDBHSA-N 0 0 346.434 2.850 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1COc3ccc(Cl)cc3C1)C2 ZINC000097198531 472474466 /nfs/dbraw/zinc/47/44/66/472474466.db2.gz ZOUKIZIZEZLROP-HIFRSBDPSA-N 0 0 345.830 2.527 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)C2 ZINC000097199028 472475095 /nfs/dbraw/zinc/47/50/95/472475095.db2.gz XWPUQFVMTSQGND-CQSZACIVSA-N 0 0 341.459 2.765 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)C2 ZINC000097199027 472475196 /nfs/dbraw/zinc/47/51/96/472475196.db2.gz XWPUQFVMTSQGND-AWEZNQCLSA-N 0 0 341.459 2.765 50 0 EFAARN CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc3ncsc3c1)CC2 ZINC000097198789 472475241 /nfs/dbraw/zinc/47/52/41/472475241.db2.gz YLUAUWKVQXJJOL-GFCCVEGCSA-N 0 0 341.440 2.756 50 0 EFAARN COCc1c2ccccc2oc1C(=O)N[C@@H]1CCc2nc(C)cn2C1 ZINC000097198692 472475565 /nfs/dbraw/zinc/47/55/65/472475565.db2.gz RWMNCCOJQABTPH-CYBMUJFWSA-N 0 0 339.395 2.829 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC000097198533 472475623 /nfs/dbraw/zinc/47/56/23/472475623.db2.gz ZOUKIZIZEZLROP-ZFWWWQNUSA-N 0 0 345.830 2.527 50 0 EFAARN c1ccc(Cc2noc(CN3CC[C@H](CNc4ccccn4)C3)n2)cc1 ZINC000097200699 472477322 /nfs/dbraw/zinc/47/73/22/472477322.db2.gz CVTZPSSIKDOSPU-QGZVFWFLSA-N 0 0 349.438 2.989 50 0 EFAARN COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000097213245 472481554 /nfs/dbraw/zinc/48/15/54/472481554.db2.gz NLQUEGUDYHHHDU-GOSISDBHSA-N 0 0 336.395 2.727 50 0 EFAARN CNC(=O)c1cccc(NC(=O)Cc2cc(OC)ccc2OC)c1C ZINC000097261442 472486925 /nfs/dbraw/zinc/48/69/25/472486925.db2.gz CZWJXITYJOMEFI-UHFFFAOYSA-N 0 0 342.395 2.553 50 0 EFAARN O=C([O-])c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)s1 ZINC000097244088 472487583 /nfs/dbraw/zinc/48/75/83/472487583.db2.gz RDRAZWDJZWAOGL-CQSZACIVSA-N 0 0 344.436 2.666 50 0 EFAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)NC(C)C ZINC000045943076 472488751 /nfs/dbraw/zinc/48/87/51/472488751.db2.gz DEZBHWOJESJFHA-UHFFFAOYSA-N 0 0 347.415 2.837 50 0 EFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000033086973 472495390 /nfs/dbraw/zinc/49/53/90/472495390.db2.gz OUHVJNVVAVZALW-CYBMUJFWSA-N 0 0 339.417 2.929 50 0 EFAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000033086972 472495879 /nfs/dbraw/zinc/49/58/79/472495879.db2.gz OUHVJNVVAVZALW-ZDUSSCGKSA-N 0 0 339.417 2.929 50 0 EFAARN CNc1nc(C(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)cs1 ZINC000077303756 472496663 /nfs/dbraw/zinc/49/66/63/472496663.db2.gz JUARYEAYPQHGNI-LLVKDONJSA-N 0 0 347.440 2.832 50 0 EFAARN CC(C)CCN1CC2(CCN(C(=O)c3cccc(O)c3)CC2)OC1=O ZINC000077302973 472496674 /nfs/dbraw/zinc/49/66/74/472496674.db2.gz JBZWBZWFNCCKOQ-UHFFFAOYSA-N 0 0 346.427 2.865 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1cn2cc(C)ccc2n1 ZINC000097495121 472499693 /nfs/dbraw/zinc/49/96/93/472499693.db2.gz RAFOSWSDVSNBNH-UHFFFAOYSA-N 0 0 341.415 2.887 50 0 EFAARN CC(C)Cc1noc([C@@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)n1 ZINC000097528940 472500025 /nfs/dbraw/zinc/50/00/25/472500025.db2.gz KHSXKGBMTPCXPN-SSDOTTSWSA-N 0 0 331.298 2.501 50 0 EFAARN O=C(C1CCOCC1)N(Cc1ccncc1)C[C@H](O)c1ccccc1 ZINC000097546475 472500077 /nfs/dbraw/zinc/50/00/77/472500077.db2.gz SAZXWCHMUZEUOC-IBGZPJMESA-N 0 0 340.423 2.570 50 0 EFAARN Cc1cnc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)s1 ZINC000070666559 472501083 /nfs/dbraw/zinc/50/10/83/472501083.db2.gz CQRKTVMRXCURCR-GFCCVEGCSA-N 0 0 344.396 2.570 50 0 biogenic EFAARN CNS(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccc2)s1 ZINC000077319984 472501208 /nfs/dbraw/zinc/50/12/08/472501208.db2.gz KYEVUOYBUMESMF-UHFFFAOYSA-N 0 0 347.465 2.828 50 0 EFAARN NC(=O)c1csc(N2CCC[C@@H](COc3ccccc3F)C2)n1 ZINC000077318990 472501479 /nfs/dbraw/zinc/50/14/79/472501479.db2.gz NBDCMIZKCIEYEE-LLVKDONJSA-N 0 0 335.404 2.677 50 0 EFAARN Cc1cnn(C2(C(=O)[O-])CC[NH+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC000077318951 472501506 /nfs/dbraw/zinc/50/15/06/472501506.db2.gz XJJIFTKIQXNUST-UHFFFAOYSA-N 0 0 335.354 2.546 50 0 EFAARN COc1ccc(OC)c([C@@H]2CCN(c3ncnc4c3CCC4)C2)c1 ZINC000077322358 472502690 /nfs/dbraw/zinc/50/26/90/472502690.db2.gz KUYXRHVPPCOCCH-CYBMUJFWSA-N 0 0 325.412 2.976 50 0 EFAARN CC(C)CN1CCN(Cc2cnn(-c3ccccc3F)c2)[C@H](C)C1=O ZINC000077322015 472503924 /nfs/dbraw/zinc/50/39/24/472503924.db2.gz YQDQAOWWARXOTI-OAHLLOKOSA-N 0 0 344.434 2.700 50 0 EFAARN COc1cccc(-n2cc(CN(C)c3ncnc4[nH]ccc43)cn2)c1 ZINC000077320777 472504039 /nfs/dbraw/zinc/50/40/39/472504039.db2.gz JZLQOGHBUCTHMO-UHFFFAOYSA-N 0 0 334.383 2.789 50 0 EFAARN CC(C)c1noc([C@@H]2CCCN2S(=O)(=O)c2ccsc2)n1 ZINC000077322973 472504241 /nfs/dbraw/zinc/50/42/41/472504241.db2.gz LOANTJUEWIAVGF-NSHDSACASA-N 0 0 327.431 2.780 50 0 EFAARN Cc1nc(CN2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 ZINC000077337845 472506280 /nfs/dbraw/zinc/50/62/80/472506280.db2.gz OIJRTCSLKKBCHY-GOSISDBHSA-N 0 0 334.464 2.629 50 0 EFAARN CSCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](NC(=O)C2CC2)C1 ZINC000077338161 472506558 /nfs/dbraw/zinc/50/65/58/472506558.db2.gz MJCACXTYBDLPEL-DLBZAZTESA-N 0 0 346.496 2.569 50 0 EFAARN Cc1[nH]cnc1-c1nccn1Cc1nc(Cc2cccs2)no1 ZINC000077343743 472507120 /nfs/dbraw/zinc/50/71/20/472507120.db2.gz SBPIHNBQUFQYMD-UHFFFAOYSA-N 0 0 326.385 2.665 50 0 EFAARN CC(C)OC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000077343049 472507448 /nfs/dbraw/zinc/50/74/48/472507448.db2.gz UHCTZAMZIHOPPH-OAHLLOKOSA-N 0 0 349.479 2.525 50 0 EFAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1c[nH]c(CC2CCCC2)n1 ZINC000077342279 472507542 /nfs/dbraw/zinc/50/75/42/472507542.db2.gz BHVNWUZGOLOLFB-QGZVFWFLSA-N 0 0 332.492 2.975 50 0 EFAARN O=C([C@@H]1CC(=O)OC12CCCC2)N1CCc2c3ccccc3[nH]c2C1 ZINC000097823092 472508181 /nfs/dbraw/zinc/50/81/81/472508181.db2.gz WTTNVPIPCDWLOQ-HNNXBMFYSA-N 0 0 338.407 2.929 50 0 EFAARN Cc1ccc(SCCCN(C)C(=O)c2ccn3nnnc3c2)cc1 ZINC000097813821 472508494 /nfs/dbraw/zinc/50/84/94/472508494.db2.gz DVOQMLQDWRODSX-UHFFFAOYSA-N 0 0 341.440 2.687 50 0 EFAARN O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077356304 472510899 /nfs/dbraw/zinc/51/08/99/472510899.db2.gz XBONPCQAKZRIRU-CQSZACIVSA-N 0 0 348.410 2.963 50 0 EFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)C1 ZINC000046088930 472511496 /nfs/dbraw/zinc/51/14/96/472511496.db2.gz HTBKBTQLBNUKDG-ZIAGYGMSSA-N 0 0 340.427 2.791 50 0 EFAARN CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCc1csc(N)n1 ZINC000077377466 472515321 /nfs/dbraw/zinc/51/53/21/472515321.db2.gz UNZOCAJEJVUODX-AWEZNQCLSA-N 0 0 344.484 2.643 50 0 EFAARN O=C(COC[C@@H]1CCCCO1)N1CCC(OCc2ccccc2)CC1 ZINC000077375075 472515377 /nfs/dbraw/zinc/51/53/77/472515377.db2.gz RYCKZVFMHHMZIX-IBGZPJMESA-N 0 0 347.455 2.780 50 0 EFAARN O=C(CC[C@@H]1CCCO1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000046122849 472515604 /nfs/dbraw/zinc/51/56/04/472515604.db2.gz MLFAZNCYBPJONU-AMGQUURNSA-N 0 0 328.456 2.803 50 0 EFAARN CN(Cc1ccc2nonc2c1)C(=O)c1cccc(-n2cccn2)c1 ZINC000077387854 472518668 /nfs/dbraw/zinc/51/86/68/472518668.db2.gz MEQWHFRIZVCWSV-UHFFFAOYSA-N 0 0 333.351 2.681 50 0 EFAARN CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2noc(C(C)C)n2)c1C ZINC000077391328 472519864 /nfs/dbraw/zinc/51/98/64/472519864.db2.gz LEQQMIAHOAQWGR-UHFFFAOYSA-N 0 0 348.403 2.587 50 0 EFAARN Cc1cc(C)cc(N2CCN(C(=O)CSCC3CC3)CC2=O)c1 ZINC000077394330 472520012 /nfs/dbraw/zinc/52/00/12/472520012.db2.gz BRVBRSTYURPBBW-UHFFFAOYSA-N 0 0 332.469 2.622 50 0 EFAARN CNc1ccnc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 ZINC000077406145 472521300 /nfs/dbraw/zinc/52/13/00/472521300.db2.gz ZHNZKCOYOMCPRQ-IBGZPJMESA-N 0 0 343.475 2.670 50 0 EFAARN CCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077420279 472525159 /nfs/dbraw/zinc/52/51/59/472525159.db2.gz GRFVRVRXAINTQB-HXUWFJFHSA-N 0 0 342.487 2.966 50 0 EFAARN CN(Cc1cccc2ncccc12)C(=O)Cn1nc2ccccc2n1 ZINC000077420258 472525207 /nfs/dbraw/zinc/52/52/07/472525207.db2.gz YXHQAFXEQGNLRJ-UHFFFAOYSA-N 0 0 331.379 2.638 50 0 EFAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccc(OC)c(C)c1OC ZINC000077436262 472525560 /nfs/dbraw/zinc/52/55/60/472525560.db2.gz YSRNHSDCNUQBCN-MRXNPFEDSA-N 0 0 334.460 2.845 50 0 EFAARN CCc1ccc2nc(C)cc(C(=O)NCCn3nc(C)nc3C)c2c1 ZINC000077426268 472525683 /nfs/dbraw/zinc/52/56/83/472525683.db2.gz GDRGNIUTJYDGDN-UHFFFAOYSA-N 0 0 337.427 2.744 50 0 EFAARN c1ccc2sc(N3CCN(c4ncnc5c4CCC5)CC3)nc2c1 ZINC000077425302 472525886 /nfs/dbraw/zinc/52/58/86/472525886.db2.gz PEMAPZSNTYWNIL-UHFFFAOYSA-N 0 0 337.452 2.902 50 0 EFAARN CC(C)C[C@H](O)C1CCN(c2ccc(Cn3ccnc3)cn2)CC1 ZINC000077427451 472525955 /nfs/dbraw/zinc/52/59/55/472525955.db2.gz NATRRGOYEQGDDN-SFHVURJKSA-N 0 0 328.460 2.950 50 0 EFAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn(-c3ccccn3)c2C)no1 ZINC000046197953 472526398 /nfs/dbraw/zinc/52/63/98/472526398.db2.gz XEAGALJEMSVWKY-MRXNPFEDSA-N 0 0 337.383 2.849 50 0 EFAARN CCC[C@@H](C)N1CC2(CCN(C(=O)c3c(C)noc3C)CC2)OC1=O ZINC000077428789 472526360 /nfs/dbraw/zinc/52/63/60/472526360.db2.gz UYNNLDQMPXXEHN-GFCCVEGCSA-N 0 0 349.431 2.907 50 0 EFAARN Cc1cc(C)n([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)n1 ZINC000100350888 472527210 /nfs/dbraw/zinc/52/72/10/472527210.db2.gz JPKOBWNYPRDPHI-ZDUSSCGKSA-N 0 0 348.200 2.767 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)c2cccc3ccnn32)[C@H](C)C1 ZINC000077439932 472527467 /nfs/dbraw/zinc/52/74/67/472527467.db2.gz OWBUSJOSQKFRCG-MRXNPFEDSA-N 0 0 334.423 2.994 50 0 EFAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCC(=O)N(C)C2)c1C ZINC000077438341 472527799 /nfs/dbraw/zinc/52/77/99/472527799.db2.gz TWOMCZFUELNOLC-AWEZNQCLSA-N 0 0 341.455 2.832 50 0 EFAARN O=C1C[C@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccccc1 ZINC000100792361 472528749 /nfs/dbraw/zinc/52/87/49/472528749.db2.gz AOHOYFXRCXEIME-IBGZPJMESA-N 0 0 345.402 2.858 50 0 biogenic EFAARN Cc1nc2ccccn2c1C(=O)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070966473 472529398 /nfs/dbraw/zinc/52/93/98/472529398.db2.gz HIQOOAGKOBVNLK-FQEVSTJZSA-N 0 0 335.407 2.670 50 0 EFAARN O=C(COc1ccccc1F)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000070966400 472529462 /nfs/dbraw/zinc/52/94/62/472529462.db2.gz QUTIQEMFGCINKS-LJQANCHMSA-N 0 0 329.371 2.619 50 0 EFAARN Cc1ccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)cc1 ZINC000077455902 472529511 /nfs/dbraw/zinc/52/95/11/472529511.db2.gz SRILPQPQDXBZKL-SFHVURJKSA-N 0 0 341.455 2.979 50 0 EFAARN Cc1ccc2nc(C)cc(C(=O)NCc3cn4cccnc4n3)c2c1 ZINC000077453556 472529520 /nfs/dbraw/zinc/52/95/20/472529520.db2.gz GCJGKHKFLIALDF-UHFFFAOYSA-N 0 0 331.379 2.824 50 0 EFAARN O=S(=O)(Cc1cccc(F)c1)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070967696 472529554 /nfs/dbraw/zinc/52/95/54/472529554.db2.gz WEXUBVJHJRQTCK-SFHVURJKSA-N 0 0 349.427 2.543 50 0 EFAARN CN(Cc1csc(-c2cccs2)n1)C(=O)CCCn1cncn1 ZINC000077454928 472530209 /nfs/dbraw/zinc/53/02/09/472530209.db2.gz UUGSIMZKLZDSCR-UHFFFAOYSA-N 0 0 347.469 2.902 50 0 EFAARN C[C@H](CN1CC2(CC[NH+](CCC(=O)[O-])CC2)OC1=O)c1ccccc1 ZINC000077454149 472530372 /nfs/dbraw/zinc/53/03/72/472530372.db2.gz NFRTXUKKLOPSKZ-OAHLLOKOSA-N 0 0 346.427 2.552 50 0 EFAARN O=C(NCc1ccc(F)cc1)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000070969468 472531059 /nfs/dbraw/zinc/53/10/59/472531059.db2.gz FRNLRDZNIMPGJL-LJQANCHMSA-N 0 0 328.387 2.923 50 0 EFAARN O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077470558 472532444 /nfs/dbraw/zinc/53/24/44/472532444.db2.gz SWIFJTGEHHTCQK-ZDUSSCGKSA-N 0 0 339.374 2.959 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)c2cc(C)c(C)[nH]c2=O)[C@@H](C)C1 ZINC000077470328 472532473 /nfs/dbraw/zinc/53/24/73/472532473.db2.gz IYEUUWKDAQDGEG-HNNXBMFYSA-N 0 0 339.439 2.651 50 0 EFAARN CC[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cnn(C)c1 ZINC000077485355 472536307 /nfs/dbraw/zinc/53/63/07/472536307.db2.gz VXZAMFAKEDIUKV-OAHLLOKOSA-N 0 0 339.399 2.670 50 0 EFAARN CCC[C@H](C)N1CC2(CCN(C(=O)Cc3cc(C)no3)CC2)OC1=O ZINC000077486977 472536705 /nfs/dbraw/zinc/53/67/05/472536705.db2.gz OASYPXJOIPJARX-AWEZNQCLSA-N 0 0 349.431 2.528 50 0 EFAARN CCOCCn1nc(C)cc1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000077488381 472537221 /nfs/dbraw/zinc/53/72/21/472537221.db2.gz SORJLTMQYNLDQV-INIZCTEOSA-N 0 0 328.416 2.600 50 0 EFAARN O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077489199 472537336 /nfs/dbraw/zinc/53/73/36/472537336.db2.gz NYYUIUOSNMNUHF-FQEVSTJZSA-N 0 0 342.439 2.647 50 0 EFAARN O=C(NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1cccnc1 ZINC000058290340 472537737 /nfs/dbraw/zinc/53/77/37/472537737.db2.gz PQJCIOCXODWWHS-UHFFFAOYSA-N 0 0 348.406 2.598 50 0 EFAARN CC(C)c1nc([C@@H]2CCCN2CCn2c3ccccc3oc2=O)no1 ZINC000089893593 472537704 /nfs/dbraw/zinc/53/77/04/472537704.db2.gz 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/nfs/dbraw/zinc/54/45/69/472544569.db2.gz HETBJMPEWACSLN-UHFFFAOYSA-N 0 0 335.454 2.775 50 0 EFAARN CCCCN1C[C@@]2(CCCN(Cc3snnc3C)C2)CCC1=O ZINC000077516276 472544817 /nfs/dbraw/zinc/54/48/17/472544817.db2.gz MTLOJQISXHLPSP-KRWDZBQOSA-N 0 0 336.505 2.851 50 0 EFAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000071280830 472545920 /nfs/dbraw/zinc/54/59/20/472545920.db2.gz MPEWVBRBKZRZIH-CYBMUJFWSA-N 0 0 329.356 2.584 50 0 EFAARN O=C(NCCn1ccc2ccccc21)c1cc(=O)[nH]c2ccccc21 ZINC000071283193 472546130 /nfs/dbraw/zinc/54/61/30/472546130.db2.gz XGCGNUTUSPZDKE-UHFFFAOYSA-N 0 0 331.375 2.913 50 0 EFAARN COCc1nnc(NC(=O)c2sc(-c3ccncc3)nc2C)s1 ZINC000071280219 472546173 /nfs/dbraw/zinc/54/61/73/472546173.db2.gz NYCLCEXEBPUHIR-UHFFFAOYSA-N 0 0 347.425 2.764 50 0 EFAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1cccc(OC)c1 ZINC000071283252 472546271 /nfs/dbraw/zinc/54/62/71/472546271.db2.gz UQJVWSQTTAMZOF-CQSZACIVSA-N 0 0 343.383 2.887 50 0 EFAARN CC(C)c1nc(CCn2ccnc2-c2ccc(N(C)C)nc2)no1 ZINC000077519282 472546384 /nfs/dbraw/zinc/54/63/84/472546384.db2.gz GKSXKLSVWCZXQQ-UHFFFAOYSA-N 0 0 326.404 2.760 50 0 EFAARN O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCn1cccn1 ZINC000077524337 472547568 /nfs/dbraw/zinc/54/75/68/472547568.db2.gz ANRRBXXYZXTRGV-HNNXBMFYSA-N 0 0 327.384 2.697 50 0 EFAARN Cc1cc(C(=O)NC[C@@H]2CCCO2)c2cnn(C3CCCC3)c2n1 ZINC000071285020 472547845 /nfs/dbraw/zinc/54/78/45/472547845.db2.gz FSUSDLDJEJIFRC-AWEZNQCLSA-N 0 0 328.416 2.764 50 0 EFAARN Cc1cc(-c2nn3c(nnc3-c3ccc(F)c(F)c3)s2)n(C)n1 ZINC000071285988 472547882 /nfs/dbraw/zinc/54/78/82/472547882.db2.gz DMZWUSXLMDLENG-UHFFFAOYSA-N 0 0 332.339 2.840 50 0 EFAARN Cc1cnn(C2(C(=O)[O-])CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000077534884 472549384 /nfs/dbraw/zinc/54/93/84/472549384.db2.gz PMOSSZSCHZBDBQ-UHFFFAOYSA-N 0 0 339.848 2.982 50 0 EFAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 ZINC000071404339 472549684 /nfs/dbraw/zinc/54/96/84/472549684.db2.gz JKSUTBHWNMQQOG-UHFFFAOYSA-N 0 0 330.409 2.557 50 0 EFAARN COc1cc(CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc(OC)c1OC ZINC000071416161 472549747 /nfs/dbraw/zinc/54/97/47/472549747.db2.gz JMQZIDZOEQANKI-GEEKYZPCSA-N 0 0 345.439 2.759 50 0 EFAARN CN(Cc1cccc2cnccc21)C(=O)CCN1CCCCCC1=O ZINC000077537597 472550263 /nfs/dbraw/zinc/55/02/63/472550263.db2.gz BVOCUXVPRVOBFB-UHFFFAOYSA-N 0 0 339.439 2.986 50 0 EFAARN Cc1c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)cnc2ccnn21 ZINC000071416035 472550467 /nfs/dbraw/zinc/55/04/67/472550467.db2.gz FKHBHSVYXPFHRW-HNNXBMFYSA-N 0 0 330.432 2.705 50 0 EFAARN Cc1ccccc1SC1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000077536926 472550532 /nfs/dbraw/zinc/55/05/32/472550532.db2.gz AUEGXSBGNUFMNW-UHFFFAOYSA-N 0 0 348.512 2.800 50 0 EFAARN CN(Cc1[nH]nc2c1CCC2)c1nccc(CCC(F)(F)F)n1 ZINC000071498556 472551790 /nfs/dbraw/zinc/55/17/90/472551790.db2.gz KWRJLCLNYSISMS-UHFFFAOYSA-N 0 0 325.338 2.820 50 0 EFAARN CCc1[nH]nc(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)c1C ZINC000077541198 472551784 /nfs/dbraw/zinc/55/17/84/472551784.db2.gz PUZVZBBZAFRMFO-AWEZNQCLSA-N 0 0 326.444 2.940 50 0 EFAARN O=S(=O)(NCc1ccccc1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000071575870 472553378 /nfs/dbraw/zinc/55/33/78/472553378.db2.gz FSPAMHWSUJDPOL-UHFFFAOYSA-N 0 0 328.397 2.523 50 0 EFAARN O=C(COc1ccccc1O)N1CCO[C@H](CC2CCCCC2)C1 ZINC000071524095 472553976 /nfs/dbraw/zinc/55/39/76/472553976.db2.gz YMTDAADFDUGWDG-MRXNPFEDSA-N 0 0 333.428 2.969 50 0 EFAARN COC(=O)c1coc(CN2CCC[C@@H]2c2nc3ccccc3n2C)n1 ZINC000077554859 472554482 /nfs/dbraw/zinc/55/44/82/472554482.db2.gz GPOZGMOFGVSJKU-OAHLLOKOSA-N 0 0 340.383 2.685 50 0 EFAARN O=C(C(=O)N1CCCC[C@@H]1CCc1cccc(O)c1)c1cccnc1 ZINC000071615177 472554836 /nfs/dbraw/zinc/55/48/36/472554836.db2.gz RWGBBDIPKTZFAC-QGZVFWFLSA-N 0 0 338.407 2.984 50 0 EFAARN C[C@H](c1nccn1-c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000071614483 472554934 /nfs/dbraw/zinc/55/49/34/472554934.db2.gz SHXLPUKZFIHOHC-ZDUSSCGKSA-N 0 0 327.409 2.672 50 0 EFAARN CSc1ccc(-c2nc(CN3CCO[C@@H](CCO)C3)c(C)o2)cc1 ZINC000071707987 472554949 /nfs/dbraw/zinc/55/49/49/472554949.db2.gz FIZOVZVWQDXDOE-HNNXBMFYSA-N 0 0 348.468 2.955 50 0 EFAARN Cc1nc(N)ncc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071662408 472555372 /nfs/dbraw/zinc/55/53/72/472555372.db2.gz NOHUFKISVMXAEH-OAHLLOKOSA-N 0 0 342.418 2.991 50 0 EFAARN Cc1noc(C)c1CN(C)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000046408193 472555791 /nfs/dbraw/zinc/55/57/91/472555791.db2.gz DCNGKZGSOUNQCG-UHFFFAOYSA-N 0 0 340.383 2.933 50 0 EFAARN Cc1c(CN(C)C(=O)CCn2c(C)cccc2=O)[nH]c2ccccc12 ZINC000071735774 472556300 /nfs/dbraw/zinc/55/63/00/472556300.db2.gz AYUXOQXNNYCIQR-UHFFFAOYSA-N 0 0 337.423 2.995 50 0 EFAARN O=C1CCCN1[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000071745323 472556439 /nfs/dbraw/zinc/55/64/39/472556439.db2.gz CWZAWWHHTZOZOM-GOSISDBHSA-N 0 0 338.455 2.518 50 0 EFAARN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000046422301 472557013 /nfs/dbraw/zinc/55/70/13/472557013.db2.gz HLJPRICIHMGPMG-MRXNPFEDSA-N 0 0 349.438 2.676 50 0 EFAARN OC[C@H](Cc1ccccc1)Nc1nccc(CCC(F)(F)F)n1 ZINC000071745860 472557109 /nfs/dbraw/zinc/55/71/09/472557109.db2.gz FSMWJAPKPXGQEB-AWEZNQCLSA-N 0 0 325.334 2.987 50 0 EFAARN Cc1nc2ccc(-c3nn4c(nnc4[C@@H]4CCCO4)s3)cc2[nH]1 ZINC000071746568 472557556 /nfs/dbraw/zinc/55/75/56/472557556.db2.gz YOQAALBLZCPXDW-LBPRGKRZSA-N 0 0 326.385 2.889 50 0 EFAARN CCNC(=O)CCN1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071750090 472557815 /nfs/dbraw/zinc/55/78/15/472557815.db2.gz IKAZVLCYFQDKBV-LJQANCHMSA-N 0 0 342.439 2.748 50 0 EFAARN CCn1nc(C)c(C(=O)N(C)Cc2cc(-c3ccncc3)no2)c1C ZINC000071748432 472558840 /nfs/dbraw/zinc/55/88/40/472558840.db2.gz DYKPHWWPPUCLNX-UHFFFAOYSA-N 0 0 339.399 2.842 50 0 EFAARN O=C(c1ccc(Cl)cn1)N1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000071747246 472558878 /nfs/dbraw/zinc/55/88/78/472558878.db2.gz ICTBJRPFVUTRPE-HNNXBMFYSA-N 0 0 334.778 2.958 50 0 EFAARN CCc1nc(C)sc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000071748090 472559017 /nfs/dbraw/zinc/55/90/17/472559017.db2.gz NJAOAVBQSPJBRA-LBPRGKRZSA-N 0 0 335.473 2.535 50 0 EFAARN Cc1cc(C)c2[nH]c(=O)c(-c3nccn3CCc3cn[nH]c3)cc2c1 ZINC000071752617 472559352 /nfs/dbraw/zinc/55/93/52/472559352.db2.gz KIIZLWPOFKSOSR-UHFFFAOYSA-N 0 0 333.395 2.974 50 0 EFAARN Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC2(CCCO2)CC1 ZINC000071753214 472559516 /nfs/dbraw/zinc/55/95/16/472559516.db2.gz ZRMVIOOCLDMYRY-UHFFFAOYSA-N 0 0 344.459 2.561 50 0 EFAARN COCc1cc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)ncn1 ZINC000071757304 472560089 /nfs/dbraw/zinc/56/00/89/472560089.db2.gz NVTGZGYVTDWPBM-AWEZNQCLSA-N 0 0 341.411 2.731 50 0 EFAARN CC(C)NC(=O)c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000071753011 472560301 /nfs/dbraw/zinc/56/03/01/472560301.db2.gz RARMJMHPLNIKDA-KRWDZBQOSA-N 0 0 343.402 2.937 50 0 EFAARN COCCN1C[C@H](Cn2ccnc2-c2ccccc2SC)CC1=O ZINC000071753313 472560457 /nfs/dbraw/zinc/56/04/57/472560457.db2.gz MUBKHFJVYMLALM-CQSZACIVSA-N 0 0 345.468 2.767 50 0 EFAARN CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCC(C)(C)C)C1 ZINC000071753825 472560532 /nfs/dbraw/zinc/56/05/32/472560532.db2.gz YPMZFNBJDPNYNM-UHFFFAOYSA-N 0 0 339.443 2.901 50 0 EFAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C(=O)NC1CCCC1 ZINC000071761033 472560990 /nfs/dbraw/zinc/56/09/90/472560990.db2.gz PKQCASHSHLYVDL-UHFFFAOYSA-N 0 0 339.439 2.722 50 0 EFAARN O=C(NC[C@H](c1ccccc1)C1CCCC1)C1CCS(=O)(=O)CC1 ZINC000071758774 472561601 /nfs/dbraw/zinc/56/16/01/472561601.db2.gz UZDHQLSYEYMVPQ-GOSISDBHSA-N 0 0 349.496 2.901 50 0 EFAARN Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000071759558 472561744 /nfs/dbraw/zinc/56/17/44/472561744.db2.gz ZDSBTYGWQJWZMD-HNNXBMFYSA-N 0 0 343.402 2.702 50 0 EFAARN Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC4(CCCO4)CC3)c2c1 ZINC000071763712 472562574 /nfs/dbraw/zinc/56/25/74/472562574.db2.gz OHOGBKULSPYASY-UHFFFAOYSA-N 0 0 326.396 2.622 50 0 EFAARN Cc1cc(=O)[nH]c(CCNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)n1 ZINC000071765551 472562727 /nfs/dbraw/zinc/56/27/27/472562727.db2.gz AJINJXPIZFPIIR-UHFFFAOYSA-N 0 0 338.411 2.656 50 0 EFAARN NC(=O)COc1ccc(Cl)cc1-c1nccn1C[C@H]1CCCCO1 ZINC000071765343 472562961 /nfs/dbraw/zinc/56/29/61/472562961.db2.gz UBPYGCSCXRGALS-CYBMUJFWSA-N 0 0 349.818 2.637 50 0 EFAARN COc1ccccc1CNC(=O)c1cn(-c2cc(C)cc(C)c2)nn1 ZINC000071764999 472563104 /nfs/dbraw/zinc/56/31/04/472563104.db2.gz VLOBDJUTMKGFMX-UHFFFAOYSA-N 0 0 336.395 2.823 50 0 EFAARN Cc1ccc2nc(SCCOc3ccc(F)cc3)n(N)c(=O)c2c1 ZINC000071768860 472563347 /nfs/dbraw/zinc/56/33/47/472563347.db2.gz DDZLYCSQKSGRQP-UHFFFAOYSA-N 0 0 345.399 2.729 50 0 EFAARN COc1ccc(-c2nc(CN3CCNC(=O)CC3)c(C)o2)c(C)c1C ZINC000071765407 472563527 /nfs/dbraw/zinc/56/35/27/472563527.db2.gz RUNAFRVVYTVAFA-UHFFFAOYSA-N 0 0 343.427 2.597 50 0 EFAARN CCn1ccc(C(=O)N(C)Cc2c[nH]nc2-c2ccccc2)cc1=O ZINC000071775635 472564290 /nfs/dbraw/zinc/56/42/90/472564290.db2.gz BNHCLJMTEAFBRR-UHFFFAOYSA-N 0 0 336.395 2.531 50 0 EFAARN Cn1nc(-c2nccn2C[C@H]2COCCO2)c2c1cccc2Cl ZINC000071775832 472564795 /nfs/dbraw/zinc/56/47/95/472564795.db2.gz WNVUFDDKPFFSMZ-NSHDSACASA-N 0 0 332.791 2.506 50 0 EFAARN O=C(Nc1nn2c(nc(-c3ccccc3)cc2=O)[nH]1)C1CCCCC1 ZINC000102541136 472579659 /nfs/dbraw/zinc/57/96/59/472579659.db2.gz AKDODTZCKPOCQM-UHFFFAOYSA-N 0 0 337.383 2.603 50 0 EFAARN Cc1c(O)cccc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072149965 472631737 /nfs/dbraw/zinc/63/17/37/472631737.db2.gz COAMZDMLFFSERL-UHFFFAOYSA-N 0 0 336.391 2.827 50 0 EFAARN Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072153439 472631836 /nfs/dbraw/zinc/63/18/36/472631836.db2.gz WQTKPHGMSUBERN-TXEJJXNPSA-N 0 0 335.454 2.586 50 0 EFAARN CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncncc1C(C)C)CC2 ZINC000072164519 472633245 /nfs/dbraw/zinc/63/32/45/472633245.db2.gz SBBDFRRYTWYIRM-MRXNPFEDSA-N 0 0 346.475 2.756 50 0 EFAARN CN(C)c1ccc([C@@H](O)CNC(=O)NCCCc2ccccc2)cc1 ZINC000090612001 472641746 /nfs/dbraw/zinc/64/17/46/472641746.db2.gz VEXAGCUSQGVNOH-IBGZPJMESA-N 0 0 341.455 2.718 50 0 EFAARN O=C(NCc1cccc2ccccc21)N1CCOC2(CCOCC2)C1 ZINC000090608879 472641848 /nfs/dbraw/zinc/64/18/48/472641848.db2.gz HQPQDNDUYPPMCY-UHFFFAOYSA-N 0 0 340.423 2.931 50 0 EFAARN Cc1cc(OCC(=O)Nc2cc(-n3cccn3)ncn2)ccc1Cl ZINC000090614135 472643389 /nfs/dbraw/zinc/64/33/89/472643389.db2.gz MWMRIKFWUNNPSO-UHFFFAOYSA-N 0 0 343.774 2.642 50 0 EFAARN O=C(NCCO)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000061721945 472715830 /nfs/dbraw/zinc/71/58/30/472715830.db2.gz CRVMTRBPKXQFDB-UHFFFAOYSA-N 0 0 341.798 2.915 50 0 EFAARN CCCn1cc(-c2nn3c(nnc3-c3ccncc3)s2)c(C)n1 ZINC000061721873 472715901 /nfs/dbraw/zinc/71/59/01/472715901.db2.gz GOOCLHCCXIAEFT-UHFFFAOYSA-N 0 0 325.401 2.830 50 0 EFAARN O=C(c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O)N1CCCC1 ZINC000061719846 472716101 /nfs/dbraw/zinc/71/61/01/472716101.db2.gz AWGIDMCYJAPBJH-AWEZNQCLSA-N 0 0 336.391 2.524 50 0 EFAARN CC(C)CCn1nc(CNc2ccc(Br)cc2)[nH]c1=O ZINC000061721143 472716233 /nfs/dbraw/zinc/71/62/33/472716233.db2.gz JKGPHQRYGFCWAQ-UHFFFAOYSA-N 0 0 339.237 2.992 50 0 EFAARN COC(=O)CCNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000061719961 472716284 /nfs/dbraw/zinc/71/62/84/472716284.db2.gz FUPILAOEGDDIFP-UHFFFAOYSA-N 0 0 336.391 2.983 50 0 EFAARN Fc1ccc(-c2nn3c(nnc3-c3cnccn3)s2)c(F)c1F ZINC000061721013 472716344 /nfs/dbraw/zinc/71/63/44/472716344.db2.gz YOGYAIZOOUXROI-UHFFFAOYSA-N 0 0 334.286 2.727 50 0 EFAARN CCOC(=O)c1cc(=O)[nH]c2c1cnn2Cc1ccc(Cl)cc1 ZINC000047476065 472719479 /nfs/dbraw/zinc/71/94/79/472719479.db2.gz BHLRNZIVBALESL-UHFFFAOYSA-N 0 0 331.759 2.603 50 0 EFAARN CCOC(=O)C1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000061931343 472724551 /nfs/dbraw/zinc/72/45/51/472724551.db2.gz KTSNRJXQQYXGJU-UHFFFAOYSA-N 0 0 332.375 2.765 50 0 EFAARN Cn1ccc2c1cccc2NC(=O)Cn1cnc2ccccc2c1=O ZINC000062001521 472727457 /nfs/dbraw/zinc/72/74/57/472727457.db2.gz SDNXSGWCVQDRNT-UHFFFAOYSA-N 0 0 332.363 2.527 50 0 biogenic EFAARN CC1CCN(c2nc3n[nH]nc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000062022663 472727561 /nfs/dbraw/zinc/72/75/61/472727561.db2.gz YIKIYNWKANYUOP-UHFFFAOYSA-N 0 0 327.367 2.867 50 0 EFAARN COc1ccc(-c2nnc(CC(=O)NCc3ccc(F)cc3)o2)cc1 ZINC000062007219 472727802 /nfs/dbraw/zinc/72/78/02/472727802.db2.gz IGSBYIKOMHYHJF-UHFFFAOYSA-N 0 0 341.342 2.743 50 0 EFAARN C[C@@H](CNC(=O)c1ccc(-n2cnnc2)cc1)N(C)c1ccccc1 ZINC000120671629 472728493 /nfs/dbraw/zinc/72/84/93/472728493.db2.gz IOKDXXBPYRFAQW-HNNXBMFYSA-N 0 0 335.411 2.522 50 0 EFAARN CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000062107114 472728832 /nfs/dbraw/zinc/72/88/32/472728832.db2.gz WFPNCCSOPNBPID-UHFFFAOYSA-N 0 0 338.411 2.718 50 0 EFAARN Cc1ccc(OCC(=O)N2CCC(c3nccn3C)CC2)cc1C ZINC000091270414 472750814 /nfs/dbraw/zinc/75/08/14/472750814.db2.gz HVUBVYTYQSQBHZ-UHFFFAOYSA-N 0 0 327.428 2.822 50 0 EFAARN CC(C)=CCC[C@@]1(C)CCC(=O)N(CCNc2nc(C)cc(=O)[nH]2)C1 ZINC000091304057 472753676 /nfs/dbraw/zinc/75/36/76/472753676.db2.gz MOSIPHQOMKYRST-IBGZPJMESA-N 0 0 346.475 2.865 50 0 EFAARN CC(C)c1cc(C(=O)N[C@@H](C)CN2CCc3ccccc3C2)on1 ZINC000091305593 472753891 /nfs/dbraw/zinc/75/38/91/472753891.db2.gz NIZFQEMFFYUPHO-AWEZNQCLSA-N 0 0 327.428 2.975 50 0 EFAARN COC(=O)[C@@H]1CN(Cc2ccccc2)[C@@]2(C1)c1ccccc1NC2=O ZINC000063110884 472753854 /nfs/dbraw/zinc/75/38/54/472753854.db2.gz LTHUKCPBBFCJFO-YWZLYKJASA-N 0 0 336.391 2.529 50 0 EFAARN c1ccc2c(c1)C[C@H](Cc1ccc(N3CCSCC3)nn1)CO2 ZINC000091305276 472754070 /nfs/dbraw/zinc/75/40/70/472754070.db2.gz XFLKTKHYWZGCMA-CQSZACIVSA-N 0 0 327.453 2.824 50 0 EFAARN CC[C@@H](NC(=O)c1cnn(-c2ccccc2OC)c1)c1nc(C)c[nH]1 ZINC000091305994 472754203 /nfs/dbraw/zinc/75/42/03/472754203.db2.gz OCYUGJHFWVSPCF-CQSZACIVSA-N 0 0 339.399 2.794 50 0 EFAARN O=C(NCc1cn2c(n1)SCC2)c1c[nH]nc1C1CCCCC1 ZINC000091327068 472756927 /nfs/dbraw/zinc/75/69/27/472756927.db2.gz HMURJCVIYSDMJR-UHFFFAOYSA-N 0 0 331.445 2.690 50 0 EFAARN Cc1c2ccc(C)cc2oc1C(=O)N1Cc2nc(C)n(C)c(=O)c2C1 ZINC000091320933 472756941 /nfs/dbraw/zinc/75/69/41/472756941.db2.gz RJSBGAGPSMBGRY-UHFFFAOYSA-N 0 0 337.379 2.608 50 0 EFAARN CC(C)c1ccc(N2C[C@H](C(=O)NCCn3cccc3)CC2=O)cc1 ZINC000091327140 472757618 /nfs/dbraw/zinc/75/76/18/472757618.db2.gz GJZQTQSKLPNHKG-QGZVFWFLSA-N 0 0 339.439 2.781 50 0 EFAARN Cc1noc2ncnc(N(C)Cc3nc(-c4cccc(C)c4)no3)c12 ZINC000091327000 472757847 /nfs/dbraw/zinc/75/78/47/472757847.db2.gz GSRAXVSARXFNDB-UHFFFAOYSA-N 0 0 336.355 2.921 50 0 EFAARN Cc1cccn2c(CC(=O)N3CCC[C@@](CO)(CC4CC4)C3)cnc12 ZINC000091320361 472757907 /nfs/dbraw/zinc/75/79/07/472757907.db2.gz VHNYJPNOHLWWID-HXUWFJFHSA-N 0 0 341.455 2.586 50 0 EFAARN Cc1nnsc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091350919 472758667 /nfs/dbraw/zinc/75/86/67/472758667.db2.gz SJEUUYCYDUDVJD-GDBMZVCRSA-N 0 0 342.468 2.583 50 0 EFAARN O=C(NCCCc1ccco1)c1cnc(-c2cccs2)[nH]c1=O ZINC000091350473 472759279 /nfs/dbraw/zinc/75/92/79/472759279.db2.gz YYNMZSUZXXKZGM-UHFFFAOYSA-N 0 0 329.381 2.866 50 0 EFAARN COCC[C@@]1(CO)CCCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000091364417 472759823 /nfs/dbraw/zinc/75/98/23/472759823.db2.gz OHSKTAQWKLITJA-SFHVURJKSA-N 0 0 339.863 2.910 50 0 EFAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000091364726 472760789 /nfs/dbraw/zinc/76/07/89/472760789.db2.gz BFWRAOBMOVYAKE-GFCCVEGCSA-N 0 0 326.375 2.555 50 0 EFAARN Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000091620696 472783679 /nfs/dbraw/zinc/78/36/79/472783679.db2.gz CCTLZDNBNVPAMP-FUHWJXTLSA-N 0 0 349.434 2.767 50 0 EFAARN O=C(CCn1cccc1)N1CCCN(Cc2ccccc2F)CC1 ZINC000073229408 472787568 /nfs/dbraw/zinc/78/75/68/472787568.db2.gz RYCKORRRHBNLFP-UHFFFAOYSA-N 0 0 329.419 2.752 50 0 EFAARN CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 ZINC000091635816 472788686 /nfs/dbraw/zinc/78/86/86/472788686.db2.gz SJKJIBFISUGTQF-AWEZNQCLSA-N 0 0 331.391 2.696 50 0 EFAARN CSCc1nc(CCNC(=O)c2cn3cc(C)ccc3n2)cs1 ZINC000091643804 472789246 /nfs/dbraw/zinc/78/92/46/472789246.db2.gz FMFHJERSGDICIF-UHFFFAOYSA-N 0 0 346.481 2.935 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000091657160 472789714 /nfs/dbraw/zinc/78/97/14/472789714.db2.gz DRKQGLQJGCPPJD-GOSISDBHSA-N 0 0 342.439 2.808 50 0 EFAARN Cc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4n3C)[nH]n2)o1 ZINC000091663236 472789842 /nfs/dbraw/zinc/78/98/42/472789842.db2.gz ONTWZFZGBJDDRI-UHFFFAOYSA-N 0 0 349.394 2.837 50 0 EFAARN O=C(NCc1ccccc1-n1ccnc1)c1cccc2c1OCCO2 ZINC000063583145 472790033 /nfs/dbraw/zinc/79/00/33/472790033.db2.gz GXOIGQVWZSOHDA-UHFFFAOYSA-N 0 0 335.363 2.574 50 0 EFAARN Cc1cccc2sc(NC(=O)C3CCN(C(=O)N(C)C)CC3)nc21 ZINC000047988804 472795196 /nfs/dbraw/zinc/79/51/96/472795196.db2.gz SOJZXIRKLVNHJH-UHFFFAOYSA-N 0 0 346.456 2.937 50 0 EFAARN CN(C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2)c1ccccc1 ZINC000091746084 472801979 /nfs/dbraw/zinc/80/19/79/472801979.db2.gz KEEYSSFHTBEQDF-MAUKXSAKSA-N 0 0 341.455 2.966 50 0 EFAARN O=C(Nc1ccccc1O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000048029677 472802480 /nfs/dbraw/zinc/80/24/80/472802480.db2.gz ZZJLBXAVNNCAAS-NSHDSACASA-N 0 0 332.791 2.691 50 0 EFAARN O=C(Nc1ccccc1O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000048029675 472802618 /nfs/dbraw/zinc/80/26/18/472802618.db2.gz ZZJLBXAVNNCAAS-LLVKDONJSA-N 0 0 332.791 2.691 50 0 EFAARN COc1ccc2c(c1)OC[C@H](C(=O)NCCOc1ccc(F)cc1)C2 ZINC000091780414 472806577 /nfs/dbraw/zinc/80/65/77/472806577.db2.gz YHQYCGQYZPYQGW-CQSZACIVSA-N 0 0 345.370 2.581 50 0 EFAARN CCCn1cc(C(=O)NCCc2noc(-c3ccccc3)n2)c(C)n1 ZINC000091780041 472806771 /nfs/dbraw/zinc/80/67/71/472806771.db2.gz HDIUOCNKWMKOMU-UHFFFAOYSA-N 0 0 339.399 2.624 50 0 EFAARN CCCc1oncc1C(=O)N(C)Cc1cc(-c2cccnc2)no1 ZINC000091829835 472814009 /nfs/dbraw/zinc/81/40/09/472814009.db2.gz FQWIYQDSSILROC-UHFFFAOYSA-N 0 0 326.356 2.949 50 0 EFAARN Cc1nn(C)cc1-c1ccnc(NCc2nc(C)c3c(n2)CCCC3)n1 ZINC000048101645 472814512 /nfs/dbraw/zinc/81/45/12/472814512.db2.gz NPIMCHDIIUPZCW-UHFFFAOYSA-N 0 0 349.442 2.775 50 0 EFAARN COc1ccc(C)cc1NC(=O)CNc1nc(C)nc2oc(C)nc21 ZINC000063844327 472820600 /nfs/dbraw/zinc/82/06/00/472820600.db2.gz YOEYLBQWMABSPV-UHFFFAOYSA-N 0 0 341.371 2.602 50 0 EFAARN CCN(Cc1nc(COC)no1)Cc1c(C)nc2ccc(Cl)cn21 ZINC000063870808 472822781 /nfs/dbraw/zinc/82/27/81/472822781.db2.gz YTNOZMZRGFGVEX-UHFFFAOYSA-N 0 0 349.822 2.848 50 0 EFAARN CC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)ncn1 ZINC000063870533 472823709 /nfs/dbraw/zinc/82/37/09/472823709.db2.gz AKDIHWLKGFNKDF-UHFFFAOYSA-N 0 0 327.436 2.607 50 0 EFAARN CN(C)Cc1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 ZINC000063881758 472824237 /nfs/dbraw/zinc/82/42/37/472824237.db2.gz MFTXUAKOSCMVBD-INIZCTEOSA-N 0 0 347.507 2.549 50 0 EFAARN O=C(Cn1cnc2ccccc2c1=O)N1CCCC[C@H]1c1cccnc1 ZINC000091997165 472838147 /nfs/dbraw/zinc/83/81/47/472838147.db2.gz WXUQEJUQIGOPIX-SFHVURJKSA-N 0 0 348.406 2.545 50 0 EFAARN COc1ccc2c(C)c(C(=O)NCc3nc(CSC)no3)oc2c1 ZINC000092028047 472844680 /nfs/dbraw/zinc/84/46/80/472844680.db2.gz ATLYVRRHLIOXMX-UHFFFAOYSA-N 0 0 347.396 2.926 50 0 EFAARN CCNc1ncc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cn1 ZINC000092081150 472857535 /nfs/dbraw/zinc/85/75/35/472857535.db2.gz HRDOVSCZJCQQSJ-OAHLLOKOSA-N 0 0 340.427 2.840 50 0 EFAARN CCN1C[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1=O ZINC000048350364 472861360 /nfs/dbraw/zinc/86/13/60/472861360.db2.gz QLMNMADGFKDAFR-AWEZNQCLSA-N 0 0 332.419 2.622 50 0 EFAARN CC(C)(C)OC(=O)NCC1CCN(c2nccnc2Cl)CC1 ZINC000073737328 472865110 /nfs/dbraw/zinc/86/51/10/472865110.db2.gz KWMQJUPBRIARMP-UHFFFAOYSA-N 0 0 326.828 2.871 50 0 EFAARN CC(C)n1[nH]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1cccs1 ZINC000079493292 472873547 /nfs/dbraw/zinc/87/35/47/472873547.db2.gz BIJLWEKBQLSUHV-UHFFFAOYSA-N 0 0 329.385 2.626 50 0 EFAARN CCc1nc2cc3c(cc2n1CC(=O)NC1CCCCC1)OCCO3 ZINC000064795099 472875566 /nfs/dbraw/zinc/87/55/66/472875566.db2.gz PHPJPWPSKPJMTM-UHFFFAOYSA-N 0 0 343.427 2.819 50 0 EFAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000065004376 472891886 /nfs/dbraw/zinc/89/18/86/472891886.db2.gz SJJSLGMCLWKQNX-HNNXBMFYSA-N 0 0 342.447 2.726 50 0 EFAARN COc1ccc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)cc1Cl ZINC000065232595 472910424 /nfs/dbraw/zinc/91/04/24/472910424.db2.gz QDDPXCKNIIJFBK-UHFFFAOYSA-N 0 0 343.774 2.710 50 0 EFAARN CCn1cc(C(=O)Nc2cc(C)ccc2O)c(=O)c2ccc(C)nc21 ZINC000049002246 472924993 /nfs/dbraw/zinc/92/49/93/472924993.db2.gz JCAVMVQFNXVZHR-UHFFFAOYSA-N 0 0 337.379 2.991 50 0 EFAARN O=C(CCc1ccccc1)N1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000049031349 472925293 /nfs/dbraw/zinc/92/52/93/472925293.db2.gz CLYBNBOOKHRIPQ-QGZVFWFLSA-N 0 0 344.480 2.559 50 0 EFAARN C[C@@H](NC(=O)Cn1cnc(-c2cccs2)cc1=O)c1ccccc1 ZINC000049028279 472925646 /nfs/dbraw/zinc/92/56/46/472925646.db2.gz ZVKOBMLWHZLNSS-CYBMUJFWSA-N 0 0 339.420 2.849 50 0 EFAARN C[C@H](C(=O)Nc1cc(F)ccc1F)n1ncc2ccccc2c1=O ZINC000065361806 472925803 /nfs/dbraw/zinc/92/58/03/472925803.db2.gz RZGVMPQUFQGLAE-SNVBAGLBSA-N 0 0 329.306 2.874 50 0 EFAARN COc1ccc(NC(=O)c2nnn(-c3nccs3)c2C)cc1Cl ZINC000049032413 472926916 /nfs/dbraw/zinc/92/69/16/472926916.db2.gz JGFAJKBSZPWDPT-UHFFFAOYSA-N 0 0 349.803 2.947 50 0 EFAARN COc1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 ZINC000065364708 472927130 /nfs/dbraw/zinc/92/71/30/472927130.db2.gz YBJOKGGSHYZNNF-UHFFFAOYSA-N 0 0 348.424 2.652 50 0 EFAARN Cc1cccc([C@H](C(=O)N(Cc2nccn2C)C2CC2)N(C)C)c1 ZINC000065374804 472929391 /nfs/dbraw/zinc/92/93/91/472929391.db2.gz ZMFGRLWMJUEDQT-GOSISDBHSA-N 0 0 326.444 2.522 50 0 EFAARN O=C(NCc1nnc(-c2ccccc2)o1)c1cccc(-n2cccn2)c1 ZINC000065382369 472929693 /nfs/dbraw/zinc/92/96/93/472929693.db2.gz BRNZBBFLLSVDEW-UHFFFAOYSA-N 0 0 345.362 2.852 50 0 EFAARN Cc1nc(C2CC2)ncc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000065382516 472929714 /nfs/dbraw/zinc/92/97/14/472929714.db2.gz QLHJFYLMJVCROT-INIZCTEOSA-N 0 0 340.427 2.822 50 0 EFAARN CCc1nc(C)c(C(=O)NCc2cc(-c3cccnc3)no2)s1 ZINC000065381452 472929871 /nfs/dbraw/zinc/92/98/71/472929871.db2.gz VHTPQEHGXVKYQG-UHFFFAOYSA-N 0 0 328.397 2.994 50 0 EFAARN CC(=O)N(C)Cc1cc(C2=CCCN(Cc3c(C)noc3C)C2)no1 ZINC000065381533 472930468 /nfs/dbraw/zinc/93/04/68/472930468.db2.gz BUAQKERFRDNLCB-UHFFFAOYSA-N 0 0 344.415 2.547 50 0 EFAARN Cc1ccc(-c2nnc(CNC[C@H]3OCCc4ccccc43)o2)n1C ZINC000065385647 472930753 /nfs/dbraw/zinc/93/07/53/472930753.db2.gz ZLQJDIGAHAOFEP-QGZVFWFLSA-N 0 0 338.411 2.787 50 0 EFAARN C[C@H](C(=O)NC1CCCC1)N(C)Cc1noc(-c2ccccc2)n1 ZINC000065387023 472931074 /nfs/dbraw/zinc/93/10/74/472931074.db2.gz 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CCCN1C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O ZINC000426599830 477724955 /nfs/dbraw/zinc/72/49/55/477724955.db2.gz YDWCFNFESPRCLB-SFHVURJKSA-N 0 0 343.471 2.511 50 0 EFAARN O=C(c1[nH]cnc1-c1ccccc1)N(Cc1cocn1)Cc1cocn1 ZINC000426597413 477725368 /nfs/dbraw/zinc/72/53/68/477725368.db2.gz NIMIZGXFAYICKU-UHFFFAOYSA-N 0 0 349.350 2.895 50 0 EFAARN CC(C)n1cc(CNC(=O)N2CCCC[C@H]2CCn2cccn2)cn1 ZINC000426612587 477725944 /nfs/dbraw/zinc/72/59/44/477725944.db2.gz QKVGSOTUIOMJQQ-KRWDZBQOSA-N 0 0 344.463 2.815 50 0 EFAARN CC(C)C[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)C(N)=O ZINC000426614981 477726690 /nfs/dbraw/zinc/72/66/90/477726690.db2.gz BCOGWSIWYQKICU-LBPRGKRZSA-N 0 0 332.231 2.693 50 0 EFAARN C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1nnc(N)s1 ZINC000426613653 477726757 /nfs/dbraw/zinc/72/67/57/477726757.db2.gz QWUNUSCCCOEGJL-QMMMGPOBSA-N 0 0 331.426 2.735 50 0 EFAARN CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1nc(C)c(C)s1 ZINC000426612311 477726796 /nfs/dbraw/zinc/72/67/96/477726796.db2.gz HFMRPOMKBPVXBS-AWEZNQCLSA-N 0 0 333.457 2.888 50 0 EFAARN CC(C)c1ccc([C@@H](C)NC(=O)N(CCO)Cc2nccn2C)cc1 ZINC000426628797 477729187 /nfs/dbraw/zinc/72/91/87/477729187.db2.gz QVZHQWBBCDURMS-OAHLLOKOSA-N 0 0 344.459 2.809 50 0 EFAARN CCc1ccccc1OC1CN(C(=O)NCCCC(C)(C)CO)C1 ZINC000426640391 477730805 /nfs/dbraw/zinc/73/08/05/477730805.db2.gz MBTWQLVDLQVTMF-UHFFFAOYSA-N 0 0 334.460 2.820 50 0 EFAARN O=C(c1ccc2c(c1)CCCO2)N1CCC(O)(c2ccccn2)CC1 ZINC000426662046 477733554 /nfs/dbraw/zinc/73/35/54/477733554.db2.gz DJELQKLIKXBBOV-UHFFFAOYSA-N 0 0 338.407 2.530 50 0 EFAARN COc1cccc(CCC(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c1 ZINC000426668345 477735421 /nfs/dbraw/zinc/73/54/21/477735421.db2.gz MWVWIQDGCPDPML-CMKODMSKSA-N 0 0 347.455 2.813 50 0 EFAARN O=C(c1[nH]nc2c1COCC2)N1CCC2(C=Cc3ccccc32)CC1 ZINC000426668337 477735527 /nfs/dbraw/zinc/73/55/27/477735527.db2.gz MLNISGUMFVSQEQ-UHFFFAOYSA-N 0 0 335.407 2.683 50 0 EFAARN Cc1cc(C)nc(S[C@H](C)C(=O)N2CCC(c3cc[nH]n3)CC2)n1 ZINC000426678257 477736897 /nfs/dbraw/zinc/73/68/97/477736897.db2.gz YRFVFHRCXVYZRY-CYBMUJFWSA-N 0 0 345.472 2.703 50 0 EFAARN O=C(N[C@@H]1CCCc2ccccc21)N1CCC(N2CCOCC2)CC1 ZINC000426689009 477738822 /nfs/dbraw/zinc/73/88/22/477738822.db2.gz ABZUIDKWZFNNFE-LJQANCHMSA-N 0 0 343.471 2.570 50 0 EFAARN CN(Cc1nnc(-c2ccccc2)o1)c1cc([C@H]2CCOC2)ncn1 ZINC000426701425 477740222 /nfs/dbraw/zinc/74/02/22/477740222.db2.gz NQFSMEVIXRULEF-AWEZNQCLSA-N 0 0 337.383 2.667 50 0 EFAARN Cc1ncsc1CCCNC(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000426705536 477740752 /nfs/dbraw/zinc/74/07/52/477740752.db2.gz BWILUAZWZPPYBX-UHFFFAOYSA-N 0 0 347.440 2.954 50 0 EFAARN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)o1 ZINC000426739057 477742787 /nfs/dbraw/zinc/74/27/87/477742787.db2.gz NKBADYGDVHNUGD-GFCCVEGCSA-N 0 0 336.417 2.945 50 0 EFAARN COCC(=O)Nc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1OC ZINC000426726957 477743083 /nfs/dbraw/zinc/74/30/83/477743083.db2.gz VYDBYALFYDARQS-OUCADQQQSA-N 0 0 347.415 2.590 50 0 EFAARN CCCN(Cc1nccn1C)C(=O)NCc1nc2c(s1)CCCC2 ZINC000426722665 477743689 /nfs/dbraw/zinc/74/36/89/477743689.db2.gz QQGNLIUGOHYEKA-UHFFFAOYSA-N 0 0 347.488 2.877 50 0 EFAARN O=C(NC[C@@H]1CCOC1)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 ZINC000534574570 478157452 /nfs/dbraw/zinc/15/74/52/478157452.db2.gz XDTGRCBTJFUVFN-HNNXBMFYSA-N 0 0 348.406 2.701 50 0 EFAARN O=C(NC[C@H]1CCOC1)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 ZINC000534574572 478157635 /nfs/dbraw/zinc/15/76/35/478157635.db2.gz XDTGRCBTJFUVFN-OAHLLOKOSA-N 0 0 348.406 2.701 50 0 EFAARN COc1ccc2c(c1)[C@H](NC(=O)c1cnc(N)s1)CC(C)(C)O2 ZINC000534583444 478159287 /nfs/dbraw/zinc/15/92/87/478159287.db2.gz LPAIOWKWKJXHBI-LLVKDONJSA-N 0 0 333.413 2.766 50 0 EFAARN O=C(NCCc1nc2ccccc2s1)[C@H]1CC(=O)OC12CCCC2 ZINC000534583200 478159775 /nfs/dbraw/zinc/15/97/75/478159775.db2.gz BVKAXXNFBODSEQ-GFCCVEGCSA-N 0 0 344.436 2.831 50 0 EFAARN Cc1nccn1CC1(CNC(=O)N(C)Cc2cnn(C(C)C)c2)CC1 ZINC000534582580 478160218 /nfs/dbraw/zinc/16/02/18/478160218.db2.gz IKMBYCSEOANQQA-UHFFFAOYSA-N 0 0 344.463 2.591 50 0 EFAARN O=C(NC[C@@H]1CCCO1)c1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC000534589968 478160566 /nfs/dbraw/zinc/16/05/66/478160566.db2.gz YPFFLPGGHMGORM-SFHVURJKSA-N 0 0 325.412 2.869 50 0 EFAARN CCn1cc(-c2ccc(C(=O)NCCCc3cnn(C)c3)cc2)cn1 ZINC000534589480 478160859 /nfs/dbraw/zinc/16/08/59/478160859.db2.gz RDQRRQULUUWVGS-UHFFFAOYSA-N 0 0 337.427 2.666 50 0 EFAARN CN(CCn1ccnc1)C(=O)c1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC000534588993 478160916 /nfs/dbraw/zinc/16/09/16/478160916.db2.gz WKXUENRPPKRYIJ-UHFFFAOYSA-N 0 0 349.438 2.929 50 0 EFAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC000534589967 478161096 /nfs/dbraw/zinc/16/10/96/478161096.db2.gz YPFFLPGGHMGORM-GOSISDBHSA-N 0 0 325.412 2.869 50 0 EFAARN Cc1cccc(Cl)c1OCCNC(=O)N(C)C[C@H]1CCCO1 ZINC000534584226 478161286 /nfs/dbraw/zinc/16/12/86/478161286.db2.gz SWJPWGSIGJYKQN-CYBMUJFWSA-N 0 0 326.824 2.848 50 0 EFAARN COCc1nc(C)c(CNC(=O)c2nc3ccc(C)cn3c2F)s1 ZINC000534591821 478161348 /nfs/dbraw/zinc/16/13/48/478161348.db2.gz QQASLRGLFVEDAV-UHFFFAOYSA-N 0 0 348.403 2.623 50 0 EFAARN CC[C@](C)(CCNC(=O)Cn1ccccc1=O)c1ccccc1OC ZINC000534585961 478161383 /nfs/dbraw/zinc/16/13/83/478161383.db2.gz UFIYVUYYALAXTE-HXUWFJFHSA-N 0 0 342.439 2.731 50 0 EFAARN CC[C@@](C)(CCNC(=O)Cn1ccccc1=O)c1ccccc1OC ZINC000534585960 478161402 /nfs/dbraw/zinc/16/14/02/478161402.db2.gz UFIYVUYYALAXTE-FQEVSTJZSA-N 0 0 342.439 2.731 50 0 EFAARN Cc1cc([C@@H]2CCCN2C(=O)NCc2noc(-c3ccco3)n2)on1 ZINC000534583478 478161466 /nfs/dbraw/zinc/16/14/66/478161466.db2.gz DNCYGDDQDVWEBO-NSHDSACASA-N 0 0 343.343 2.673 50 0 EFAARN C[C@@H](NC(=O)NC1(CO)CCCC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000534633035 478163767 /nfs/dbraw/zinc/16/37/67/478163767.db2.gz BVLUEWLYZSWTTO-CYBMUJFWSA-N 0 0 346.406 2.677 50 0 EFAARN CC1(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)CCCCC1 ZINC000534640825 478164028 /nfs/dbraw/zinc/16/40/28/478164028.db2.gz BPRDIHOFDMZKOJ-MRXNPFEDSA-N 0 0 347.434 2.979 50 0 EFAARN Cc1cccnc1[C@@H](NC(=O)c1cc(C(C)C)nc(N)n1)C1CC1 ZINC000534644060 478164548 /nfs/dbraw/zinc/16/45/48/478164548.db2.gz KYGRXCLPBIVSLW-INIZCTEOSA-N 0 0 325.416 2.767 50 0 EFAARN Cc1cccnc1[C@H](NC(=O)c1cc(C(C)C)nc(N)n1)C1CC1 ZINC000534644061 478164750 /nfs/dbraw/zinc/16/47/50/478164750.db2.gz KYGRXCLPBIVSLW-MRXNPFEDSA-N 0 0 325.416 2.767 50 0 EFAARN Cc1cccn2c(CC(=O)NCc3ccc4c(c3)CCCO4)cnc12 ZINC000534649438 478165843 /nfs/dbraw/zinc/16/58/43/478165843.db2.gz NTYSUPRMHSOGOW-UHFFFAOYSA-N 0 0 335.407 2.827 50 0 EFAARN CC[C@H](NC(=O)c1c(C)onc1-c1ccccc1)c1ncnn1C ZINC000534648605 478165877 /nfs/dbraw/zinc/16/58/77/478165877.db2.gz MCOHNIHYBRTTCY-ZDUSSCGKSA-N 0 0 325.372 2.660 50 0 EFAARN Cc1ccc([C@H](C)NC(=O)N(C)CC2(CO)CCOCC2)c(C)c1 ZINC000534649988 478166095 /nfs/dbraw/zinc/16/60/95/478166095.db2.gz APHJWLDSEIGJMA-INIZCTEOSA-N 0 0 334.460 2.795 50 0 EFAARN CCCOc1c(CNC(=O)N(C)Cc2cnn(C)c2)cccc1OC ZINC000534651763 478166252 /nfs/dbraw/zinc/16/62/52/478166252.db2.gz GCMUJFIGMMXXJW-UHFFFAOYSA-N 0 0 346.431 2.559 50 0 EFAARN C[C@H](CCc1ccccc1)NC(=O)N1CCC(c2ncon2)CC1 ZINC000534648638 478166326 /nfs/dbraw/zinc/16/63/26/478166326.db2.gz HOYMJBVGSWRYSP-CQSZACIVSA-N 0 0 328.416 2.980 50 0 EFAARN CCCc1nc(CNC(=O)N2CC[C@@](O)(c3ccccc3)C2)cs1 ZINC000534644100 478166343 /nfs/dbraw/zinc/16/63/43/478166343.db2.gz PVTXQPJHJBIFQG-SFHVURJKSA-N 0 0 345.468 2.899 50 0 EFAARN CCCn1ncnc1-c1ccc(C(=O)N(C)Cc2ccon2)cc1 ZINC000534659654 478167175 /nfs/dbraw/zinc/16/71/75/478167175.db2.gz KISCAWXFYRSHFL-UHFFFAOYSA-N 0 0 325.372 2.615 50 0 EFAARN Cc1cccc2c1c(-c1ccc(C(=O)N3CC[C@@H](O)C3)cc1)nn2C ZINC000534662138 478167180 /nfs/dbraw/zinc/16/71/80/478167180.db2.gz BNLHUXFEKMAXCA-MRXNPFEDSA-N 0 0 335.407 2.756 50 0 EFAARN CC(C)c1ncc(-c2cccc(C(=O)NCCOCCO)c2)s1 ZINC000534660526 478167476 /nfs/dbraw/zinc/16/74/76/478167476.db2.gz RJANQOHEKYNRFS-UHFFFAOYSA-N 0 0 334.441 2.672 50 0 EFAARN Cc1n[nH]c(CCC(=O)NCCCc2nc3ccccc3o2)c1C ZINC000534656827 478167588 /nfs/dbraw/zinc/16/75/88/478167588.db2.gz DXILJGZIGSIFPD-UHFFFAOYSA-N 0 0 326.400 2.849 50 0 EFAARN Cc1nc(CNC(=O)N(Cc2cccnc2)C2CCCCC2)no1 ZINC000534662648 478167691 /nfs/dbraw/zinc/16/76/91/478167691.db2.gz JIBKYAONTVONIH-UHFFFAOYSA-N 0 0 329.404 2.818 50 0 EFAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCOCC4)cc3)[nH]2)c1 ZINC000534676243 478168047 /nfs/dbraw/zinc/16/80/47/478168047.db2.gz DTUYASBNCTWRNH-UHFFFAOYSA-N 0 0 348.406 2.920 50 0 EFAARN Cc1cccc(N2CCC(NCc3noc([C@@H]4CCCO4)n3)CC2)c1 ZINC000534673851 478168193 /nfs/dbraw/zinc/16/81/93/478168193.db2.gz FCIWUJOYKXRUPE-KRWDZBQOSA-N 0 0 342.443 2.988 50 0 EFAARN Cc1cccnc1[C@H](C)NC(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000534666124 478168698 /nfs/dbraw/zinc/16/86/98/478168698.db2.gz XUHZXHNDZFKAKL-HNNXBMFYSA-N 0 0 340.427 2.539 50 0 EFAARN Cc1cc2c(c(=O)n1C)[C@H](C1=Cc3ccccc3O[C@@H]1C)CC(=O)O2 ZINC000524730340 478389480 /nfs/dbraw/zinc/38/94/80/478389480.db2.gz GBUMOCNAICKFNH-DOMZBBRYSA-N 0 0 337.375 2.951 50 0 biogenic EFAARN O=C(Nc1cccc2[nH]ccc21)[C@H](Cc1ccccc1)n1cnnn1 ZINC000524735082 478390150 /nfs/dbraw/zinc/39/01/50/478390150.db2.gz UCFPSLDWUJDFIC-KRWDZBQOSA-N 0 0 332.367 2.577 50 0 EFAARN Cc1nccn1CCNC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524732737 478390320 /nfs/dbraw/zinc/39/03/20/478390320.db2.gz YHDZGZREVDPGDK-MRXNPFEDSA-N 0 0 328.441 2.850 50 0 EFAARN CC(C)[C@H](CCNC(=O)CCn1cnnn1)c1ccc(Cl)cc1 ZINC000524733880 478390333 /nfs/dbraw/zinc/39/03/33/478390333.db2.gz YWIITUDNYJTTEE-HNNXBMFYSA-N 0 0 335.839 2.663 50 0 EFAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCCCn1ccnc1 ZINC000524733125 478390462 /nfs/dbraw/zinc/39/04/62/478390462.db2.gz WYNWZPBWIWSFLY-INIZCTEOSA-N 0 0 328.441 2.932 50 0 EFAARN COc1coc(C(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)cc1=O ZINC000524733697 478390504 /nfs/dbraw/zinc/39/05/04/478390504.db2.gz GXFASWGQOROYHG-AWEZNQCLSA-N 0 0 338.363 2.937 50 0 EFAARN CCCn1cc(NC(=O)CC2(Cn3cnnn3)CCCCC2)c(C)n1 ZINC000524735085 478390593 /nfs/dbraw/zinc/39/05/93/478390593.db2.gz UIBYOVJFWBXELK-UHFFFAOYSA-N 0 0 345.451 2.567 50 0 EFAARN Cc1cc2c(c(=O)n1C)[C@H](c1cc3c(c(Cl)c1)OCO3)CC(=O)O2 ZINC000524733594 478390614 /nfs/dbraw/zinc/39/06/14/478390614.db2.gz XKYFRYIMTONEJW-JTQLQIEISA-N 0 0 347.754 2.517 50 0 EFAARN Cc1ccc(NC(=O)c2ncn(C[C@H](O)c3ccc(F)cc3)n2)cc1 ZINC000583649708 478905270 /nfs/dbraw/zinc/90/52/70/478905270.db2.gz VZIXDUIFVYJQFP-INIZCTEOSA-N 0 0 340.358 2.712 50 0 EFAARN O=C(NCCC1=CCCCC1)c1ncn(C[C@H](O)c2ccccc2)n1 ZINC000583649345 478905545 /nfs/dbraw/zinc/90/55/45/478905545.db2.gz LHZIEILWZXDHPA-KRWDZBQOSA-N 0 0 340.427 2.632 50 0 EFAARN CCN(Cc1noc(C2CCC2)n1)C(=O)NCc1cc(C2CC2)on1 ZINC000584886071 479271370 /nfs/dbraw/zinc/27/13/70/479271370.db2.gz CCUKLDHNFKNBSK-UHFFFAOYSA-N 0 0 345.403 2.934 50 0 EFAARN CCOCCCNC(=O)c1ccc(-c2nc(N)nc(C)c2Cl)cc1 ZINC000584887807 479271390 /nfs/dbraw/zinc/27/13/90/479271390.db2.gz JGAXNPRZSPKTQJ-UHFFFAOYSA-N 0 0 348.834 2.844 50 0 EFAARN CNC(=O)CCC(C)(C)NC(=O)N(C)[C@@H](C)c1cccc(OC)c1 ZINC000584885423 479271444 /nfs/dbraw/zinc/27/14/44/479271444.db2.gz SXMAEUJGTAWAJF-ZDUSSCGKSA-N 0 0 335.448 2.702 50 0 EFAARN CC(C)(O)c1cncc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)c1 ZINC000584887098 479271452 /nfs/dbraw/zinc/27/14/52/479271452.db2.gz UUTQNTSRXGICPS-SFHVURJKSA-N 0 0 340.423 2.573 50 0 EFAARN COCC1(CNC(=O)c2ccc(-c3nc(C)nn3C)cc2)CCCC1 ZINC000584886423 479271663 /nfs/dbraw/zinc/27/16/63/479271663.db2.gz DVTIHYUDXSEDSJ-UHFFFAOYSA-N 0 0 342.443 2.727 50 0 EFAARN Cc1cccn2c(CC(=O)N(C)C[C@@H]3Cc4ccccc4O3)cnc12 ZINC000584890512 479273235 /nfs/dbraw/zinc/27/32/35/479273235.db2.gz YWVJJOKQNWTRCX-KRWDZBQOSA-N 0 0 335.407 2.647 50 0 EFAARN CCc1nccn1C[C@H](C)NCc1nc(C)cc(C(F)(F)F)n1 ZINC000584891144 479273328 /nfs/dbraw/zinc/27/33/28/479273328.db2.gz KMPOEFWRFUAKSU-NSHDSACASA-N 0 0 327.354 2.741 50 0 EFAARN CN(Cc1ccc2nsnc2c1)C(=O)NCc1cc(C2CC2)on1 ZINC000584889006 479273405 /nfs/dbraw/zinc/27/34/05/479273405.db2.gz FOBPOSSQDPIIJU-UHFFFAOYSA-N 0 0 343.412 2.898 50 0 EFAARN CCc1ccc(CN(C)C(=O)NCc2ccc(C(=O)N(C)C)o2)cc1 ZINC000584894394 479273785 /nfs/dbraw/zinc/27/37/85/479273785.db2.gz RZPPTJGDTQSYAW-UHFFFAOYSA-N 0 0 343.427 2.885 50 0 EFAARN O=C(CCC(=O)N1CCC[C@H](CCCO)C1)NC1CCCCCC1 ZINC000584894848 479274042 /nfs/dbraw/zinc/27/40/42/479274042.db2.gz DOIVZTYMGGFSPX-MRXNPFEDSA-N 0 0 338.492 2.617 50 0 EFAARN O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1ccc(F)c(O)c1 ZINC000584894905 479274093 /nfs/dbraw/zinc/27/40/93/479274093.db2.gz OQEHQIFMBRLJOF-KRWDZBQOSA-N 0 0 343.402 2.883 50 0 EFAARN COCCC[C@H]1CCCCN1C(=O)NCCc1noc(C(C)C)n1 ZINC000584898660 479275587 /nfs/dbraw/zinc/27/55/87/479275587.db2.gz SGRDHRHUTFMREB-CQSZACIVSA-N 0 0 338.452 2.726 50 0 EFAARN Cc1nnc([C@@H]2CCCN(C(=O)C(C)(C)Nc3ccccc3)C2)[nH]1 ZINC000584897126 479275783 /nfs/dbraw/zinc/27/57/83/479275783.db2.gz BAIMJMOONUENIQ-CQSZACIVSA-N 0 0 327.432 2.710 50 0 EFAARN O=c1c2cccc(F)c2ncn1Cc1nncn1C1CCCCC1 ZINC000584897973 479275824 /nfs/dbraw/zinc/27/58/24/479275824.db2.gz BGKZVVRVFLQYCT-UHFFFAOYSA-N 0 0 327.363 2.681 50 0 EFAARN CCC[C@H](NC(=O)N1CCC2(CNC(=O)O2)CC1)c1cccs1 ZINC000584897246 479276054 /nfs/dbraw/zinc/27/60/54/479276054.db2.gz FMXGWXNZWWDPNP-LBPRGKRZSA-N 0 0 337.445 2.873 50 0 EFAARN Cc1cc(C)n([C@H]2CCN(C(=O)NCc3cnc4c(c3)CCC4)C2)n1 ZINC000584904010 479276493 /nfs/dbraw/zinc/27/64/93/479276493.db2.gz DBEIMIQPHFNBEF-KRWDZBQOSA-N 0 0 339.443 2.540 50 0 EFAARN COCCc1noc([C@@H](C)NC2CCN(c3ccccc3C)CC2)n1 ZINC000584900937 479276538 /nfs/dbraw/zinc/27/65/38/479276538.db2.gz SFRNKZMHNADMBT-OAHLLOKOSA-N 0 0 344.459 2.887 50 0 EFAARN O=C(c1ccc(-c2cnc3ccc(F)cn32)cc1)N1CCC[C@H]1CO ZINC000584902888 479276576 /nfs/dbraw/zinc/27/65/76/479276576.db2.gz JPTZSGOMRUBILB-INIZCTEOSA-N 0 0 339.370 2.737 50 0 EFAARN Cc1csc([C@@H](C)CNC(=O)c2ccccc2-n2cncn2)n1 ZINC000584903261 479276901 /nfs/dbraw/zinc/27/69/01/479276901.db2.gz XSEJSACZGSTBPH-NSHDSACASA-N 0 0 327.413 2.566 50 0 EFAARN CC(C)N1C[C@H](CNC(=O)c2ccc(Cn3cccc3)cc2)CC1=O ZINC000584901986 479277196 /nfs/dbraw/zinc/27/71/96/479277196.db2.gz CXNXEPVWUKEXCS-KRWDZBQOSA-N 0 0 339.439 2.523 50 0 EFAARN Cc1csc([C@H](C)CNC(=O)c2ccccc2-n2cncn2)n1 ZINC000584903260 479277353 /nfs/dbraw/zinc/27/73/53/479277353.db2.gz XSEJSACZGSTBPH-LLVKDONJSA-N 0 0 327.413 2.566 50 0 EFAARN Cc1cc(C(=O)N2CCC[C@@H](Nc3cc(C(C)C)ncn3)C2)on1 ZINC000585134629 479295018 /nfs/dbraw/zinc/29/50/18/479295018.db2.gz CRUOEQMIFFXTPC-CYBMUJFWSA-N 0 0 329.404 2.613 50 0 EFAARN O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)Nc2ccccc2Cl)C1 ZINC000585137146 479296226 /nfs/dbraw/zinc/29/62/26/479296226.db2.gz KITDFGUIUFJCEH-JTQLQIEISA-N 0 0 333.779 2.556 50 0 EFAARN CN(Cc1nc(C(F)(F)F)cs1)c1nc(N)nc(C(C)(C)C)n1 ZINC000585139182 479297257 /nfs/dbraw/zinc/29/72/57/479297257.db2.gz LIPZDOXFRUGRLY-UHFFFAOYSA-N 0 0 346.382 2.863 50 0 EFAARN O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)N1CCCC1 ZINC000585150097 479300298 /nfs/dbraw/zinc/30/02/98/479300298.db2.gz AJTHSUCKOVTFQO-UHFFFAOYSA-N 0 0 346.456 2.639 50 0 EFAARN COCc1cn([C@H]2CCN(C(=O)c3cc4ccccc4s3)C2)nn1 ZINC000585149681 479300744 /nfs/dbraw/zinc/30/07/44/479300744.db2.gz LXEMFNAZSSDDRG-AWEZNQCLSA-N 0 0 342.424 2.726 50 0 EFAARN CC[C@H](C(=O)N[C@H]1CCc2nc(N(C)C)ncc2C1)c1ccccc1 ZINC000585150249 479300831 /nfs/dbraw/zinc/30/08/31/479300831.db2.gz IBEFOTHKPGLSCE-IRXDYDNUSA-N 0 0 338.455 2.710 50 0 EFAARN CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1ccccc1OC(F)(F)F ZINC000585149600 479301168 /nfs/dbraw/zinc/30/11/68/479301168.db2.gz JBOUMJQQFJEZFT-BXKDBHETSA-N 0 0 344.333 2.932 50 0 EFAARN C=CC(=CC=C(C)F)c1cc2nc3c(=O)[nH]c(=O)n(C)c3nc2o1 ZINC000585152492 479301467 /nfs/dbraw/zinc/30/14/67/479301467.db2.gz QDWMLNOOWKVVRY-XVYDYJIPSA-N 0 0 328.303 2.618 50 0 EFAARN Cc1noc(C)c1CC(=O)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000575414038 479441554 /nfs/dbraw/zinc/44/15/54/479441554.db2.gz QTQGVCMVMHQMEW-KRWDZBQOSA-N 0 0 346.408 2.541 50 0 EFAARN O=C(COc1ccccc1F)NCC[C@@H](CCO)c1ccsc1 ZINC000575606875 479450183 /nfs/dbraw/zinc/45/01/83/479450183.db2.gz KPLRIFYHBXIYCR-ZDUSSCGKSA-N 0 0 337.416 2.939 50 0 EFAARN O=S(=O)(NCC[C@@H](CCO)c1ccsc1)c1ccccc1F ZINC000575608827 479451139 /nfs/dbraw/zinc/45/11/39/479451139.db2.gz ZMDVKEDNHIMJKI-LBPRGKRZSA-N 0 0 343.445 2.722 50 0 EFAARN Cc1nccc(O[C@H]2CCCN(C(=O)NCc3ccccc3)C2)n1 ZINC000575608215 479451512 /nfs/dbraw/zinc/45/15/12/479451512.db2.gz DTZDDTDSXYIJJU-INIZCTEOSA-N 0 0 326.400 2.538 50 0 EFAARN Cc1nccc(O[C@@H]2CCCN(C(=O)NCc3ccccc3)C2)n1 ZINC000575608224 479452080 /nfs/dbraw/zinc/45/20/80/479452080.db2.gz DTZDDTDSXYIJJU-MRXNPFEDSA-N 0 0 326.400 2.538 50 0 EFAARN Cc1cc(CCNC(=O)COc2ccc(Cl)cc2Cl)nn1C ZINC000575610205 479452450 /nfs/dbraw/zinc/45/24/50/479452450.db2.gz UQHRTBOQCOLXTQ-UHFFFAOYSA-N 0 0 342.226 2.773 50 0 EFAARN COc1cccc2cc(C(=O)N3CC[C@H](Oc4ccncn4)C3)oc21 ZINC000575609920 479452630 /nfs/dbraw/zinc/45/26/30/479452630.db2.gz BQXLVSQOPVHTIT-ZDUSSCGKSA-N 0 0 339.351 2.525 50 0 EFAARN CCc1nc2ccc(C(=O)N3CCC(n4ccnn4)CC3)cc2s1 ZINC000575610212 479452913 /nfs/dbraw/zinc/45/29/13/479452913.db2.gz FBUCWGTYDWSYCG-UHFFFAOYSA-N 0 0 341.440 2.928 50 0 EFAARN O=C(CCC(=O)N1CCC[C@H](Oc2ccncn2)C1)c1ccccc1 ZINC000575610631 479452940 /nfs/dbraw/zinc/45/29/40/479452940.db2.gz WNLFDHLOQVCOHF-INIZCTEOSA-N 0 0 339.395 2.510 50 0 EFAARN O=C(NCc1ccc(-c2ccco2)o1)C(=O)NCc1cccs1 ZINC000575609724 479453110 /nfs/dbraw/zinc/45/31/10/479453110.db2.gz FPJQGHFHKUDXGP-UHFFFAOYSA-N 0 0 330.365 2.534 50 0 EFAARN O=C(Cc1ccccc1Cl)N1CCC[C@@H](Oc2ccncn2)C1 ZINC000575609466 479453152 /nfs/dbraw/zinc/45/31/52/479453152.db2.gz LQIPWRIWRBXLEO-CQSZACIVSA-N 0 0 331.803 2.743 50 0 EFAARN O=C(COCc1ccccc1)NC[C@@H](c1ccsc1)n1cccn1 ZINC000575612610 479453625 /nfs/dbraw/zinc/45/36/25/479453625.db2.gz BJYRHEMNCICENB-KRWDZBQOSA-N 0 0 341.436 2.867 50 0 EFAARN O=C(CCSc1ccccc1)N1CC[C@H](Oc2ncccn2)C1 ZINC000575611459 479453777 /nfs/dbraw/zinc/45/37/77/479453777.db2.gz YLBWFCFTRLLUNH-AWEZNQCLSA-N 0 0 329.425 2.639 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)N1CC[C@H](Oc2ccncn2)C1 ZINC000575611419 479453872 /nfs/dbraw/zinc/45/38/72/479453872.db2.gz XCRMZTAXNXLBPK-LBPRGKRZSA-N 0 0 348.790 2.824 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1cc(-c2ccncc2)cn1 ZINC000575612942 479454123 /nfs/dbraw/zinc/45/41/23/479454123.db2.gz QBNKNTQEJHAPOF-OAHLLOKOSA-N 0 0 336.395 2.529 50 0 EFAARN Cc1cc(C(=O)Nc2cc3c(cc2C)N(C)S(=O)(=O)N3C)c(C)o1 ZINC000575612065 479454423 /nfs/dbraw/zinc/45/44/23/479454423.db2.gz JYJQQBHMLHINOP-UHFFFAOYSA-N 0 0 349.412 2.588 50 0 EFAARN O=C(NCCn1cc(-c2ccncc2)cn1)c1c(F)cccc1F ZINC000575613075 479454448 /nfs/dbraw/zinc/45/44/48/479454448.db2.gz UKLWHPJXLZLJDE-UHFFFAOYSA-N 0 0 328.322 2.653 50 0 EFAARN O=C(Nc1ccc(F)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575611239 479454491 /nfs/dbraw/zinc/45/44/91/479454491.db2.gz CXLYFJRESPCSFY-ZDUSSCGKSA-N 0 0 336.754 2.954 50 0 EFAARN Cc1ccc(S(=O)(=O)NCCn2cc(-c3ccoc3)cn2)cc1C ZINC000575614855 479454690 /nfs/dbraw/zinc/45/46/90/479454690.db2.gz KYLVSVMOCUKMAE-UHFFFAOYSA-N 0 0 345.424 2.738 50 0 EFAARN Cc1ccccc1OCC(=O)NC[C@H](c1ccco1)n1cccn1 ZINC000575613961 479454889 /nfs/dbraw/zinc/45/48/89/479454889.db2.gz MSIIHZGRCWJENZ-OAHLLOKOSA-N 0 0 325.368 2.569 50 0 EFAARN COc1ccc(C(=O)NC[C@H](c2ccco2)n2cccn2)cc1F ZINC000575614173 479454948 /nfs/dbraw/zinc/45/49/48/479454948.db2.gz OWNVTPXTJRZGAA-CQSZACIVSA-N 0 0 329.331 2.643 50 0 EFAARN Cc1cc(F)ccc1S(=O)(=O)NCCn1cc(-c2ccco2)cn1 ZINC000575614847 479455167 /nfs/dbraw/zinc/45/51/67/479455167.db2.gz KNMZVGKVVZAUMD-UHFFFAOYSA-N 0 0 349.387 2.569 50 0 EFAARN O=C(NC[C@H](c1ccco1)n1cccn1)c1ccc2nsnc2c1 ZINC000575614113 479455231 /nfs/dbraw/zinc/45/52/31/479455231.db2.gz OFQONRNHACFXGX-CQSZACIVSA-N 0 0 339.380 2.500 50 0 EFAARN COc1cccc(CC(=O)NC[C@@H](c2ccsc2)n2cccn2)c1 ZINC000575613967 479455312 /nfs/dbraw/zinc/45/53/12/479455312.db2.gz MUWJIINBEXPSFR-KRWDZBQOSA-N 0 0 341.436 2.902 50 0 EFAARN O=C(NCCCc1ccccc1)NC[C@@H](c1ccco1)n1cccn1 ZINC000575613625 479455520 /nfs/dbraw/zinc/45/55/20/479455520.db2.gz INWXFGQVLMTCSU-KRWDZBQOSA-N 0 0 338.411 2.998 50 0 EFAARN O=C(NCc1ccc(F)cc1)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575613743 479455702 /nfs/dbraw/zinc/45/57/02/479455702.db2.gz SRMYVHOSXUSADL-QGZVFWFLSA-N 0 0 329.375 2.974 50 0 EFAARN COc1ccc(CCC(=O)NCc2cn(-c3cccs3)nn2)cc1 ZINC000575616813 479456038 /nfs/dbraw/zinc/45/60/38/479456038.db2.gz NBOFISABOBNWHE-UHFFFAOYSA-N 0 0 342.424 2.586 50 0 EFAARN O=C(COc1ccc(Cl)cc1)NCc1cn(-c2cccs2)nn1 ZINC000575616687 479456050 /nfs/dbraw/zinc/45/60/50/479456050.db2.gz LXTOFKANRDTGSA-UHFFFAOYSA-N 0 0 348.815 2.677 50 0 EFAARN O=C(COc1ccc(Cl)cc1)NCCn1cc(-c2ccoc2)cn1 ZINC000575615347 479456145 /nfs/dbraw/zinc/45/61/45/479456145.db2.gz NPVZEFMKDJJWDV-UHFFFAOYSA-N 0 0 345.786 2.992 50 0 EFAARN Cc1cnc(NC(=O)NCc2ccc(-c3cnn(C)c3)nc2)s1 ZINC000575617109 479456228 /nfs/dbraw/zinc/45/62/28/479456228.db2.gz RXBNHVKHDZTJFX-UHFFFAOYSA-N 0 0 328.401 2.569 50 0 EFAARN COc1cccc(NC(=O)NCCn2cc(-c3ccoc3)cn2)c1 ZINC000575614999 479456249 /nfs/dbraw/zinc/45/62/49/479456249.db2.gz LUMVSCLWJNOGHQ-UHFFFAOYSA-N 0 0 326.356 2.973 50 0 EFAARN Cn1ccc(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1 ZINC000575615610 479456299 /nfs/dbraw/zinc/45/62/99/479456299.db2.gz GHNBOOBCJQKUSL-UHFFFAOYSA-N 0 0 338.333 2.854 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1cc(-c2ccco2)cn1 ZINC000575616162 479456625 /nfs/dbraw/zinc/45/66/25/479456625.db2.gz XGHKPNKAOPZKMF-CQSZACIVSA-N 0 0 325.368 2.727 50 0 EFAARN Cn1ccc(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 ZINC000575615397 479456677 /nfs/dbraw/zinc/45/66/77/479456677.db2.gz DHIBGTTYYOWADF-UHFFFAOYSA-N 0 0 345.877 2.703 50 0 EFAARN Cn1cc(-c2ncccc2CNC(=O)CCC(=O)c2ccccc2)cn1 ZINC000575618458 479457155 /nfs/dbraw/zinc/45/71/55/479457155.db2.gz NRBTYPYFOAPDBH-UHFFFAOYSA-N 0 0 348.406 2.761 50 0 EFAARN COc1ccc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)cc1F ZINC000575618377 479457593 /nfs/dbraw/zinc/45/75/93/479457593.db2.gz MGGOFAPPNBIFAW-UHFFFAOYSA-N 0 0 340.358 2.560 50 0 EFAARN Cc1cc(-c2noc(CNC(=O)c3ccc4ccccc4n3)n2)no1 ZINC000575617523 479457647 /nfs/dbraw/zinc/45/76/47/479457647.db2.gz TXAPKTLEDJFZMS-UHFFFAOYSA-N 0 0 335.323 2.511 50 0 EFAARN O=C(Cc1ccccc1Cl)NCc1cn(-c2cccs2)nn1 ZINC000575618107 479457736 /nfs/dbraw/zinc/45/77/36/479457736.db2.gz ZQYSLBATPHENCK-UHFFFAOYSA-N 0 0 332.816 2.841 50 0 EFAARN O=C([C@@H]1COc2ccccc2O1)N1CC[C@H](n2cnc3ccccc32)C1 ZINC000575618989 479457765 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Cn1nc(C(C)(C)C)cc1-c1nn2c(nnc2-c2cccnc2)s1 ZINC000032102854 202221817 /nfs/dbraw/zinc/22/18/17/202221817.db2.gz RZQDAPOQYGJYLA-UHFFFAOYSA-N 0 0 339.428 2.946 50 0 EFAARN COC(=O)[C@](C)(Cl)CS(=O)(=O)c1ccc2ccccc2c1 ZINC000035323630 213021882 /nfs/dbraw/zinc/02/18/82/213021882.db2.gz WUOYASWBNJVQTF-OAHLLOKOSA-N 0 0 326.801 2.784 50 0 EFAARN CCCNC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272041 202255552 /nfs/dbraw/zinc/25/55/52/202255552.db2.gz WNZJBJIJNOVKQP-UHFFFAOYSA-N 0 0 344.436 2.940 50 0 EFAARN NC(=O)c1c2c(sc1NC(=O)CN1CCCCCC1)CCCC2 ZINC000000078168 283362553 /nfs/dbraw/zinc/36/25/53/283362553.db2.gz PMENAEZMURPRPU-UHFFFAOYSA-N 0 0 335.473 2.540 50 0 EFAARN CC1CCN(C(=O)c2cccn3c(=O)c4sccc4nc23)CC1 ZINC000000423043 209586315 /nfs/dbraw/zinc/58/63/15/209586315.db2.gz BGRLMLNONBGFGH-UHFFFAOYSA-N 0 0 327.409 2.781 50 0 EFAARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc3c(c2)OCO3)[NH2+]1 ZINC000000352590 295987540 /nfs/dbraw/zinc/98/75/40/295987540.db2.gz MDXJJOKTGDJRNN-YOEHRIQHSA-N 0 0 336.347 2.585 50 0 biogenic EFAARN O=C(c1csc(C2CC2)n1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000069377882 202275208 /nfs/dbraw/zinc/27/52/08/202275208.db2.gz SIRDHYAFDJNCLY-UHFFFAOYSA-N 0 0 343.456 2.578 50 0 EFAARN COc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000034192878 202272661 /nfs/dbraw/zinc/27/26/61/202272661.db2.gz DBDQITPLPJHLPU-UHFFFAOYSA-N 0 0 328.368 2.592 50 0 EFAARN COc1ccc(CNC(=O)CCCNC(=O)c2ccc(C)cc2)cc1 ZINC000035673161 202307888 /nfs/dbraw/zinc/30/78/88/202307888.db2.gz JQWVRZBLKPBANL-UHFFFAOYSA-N 0 0 340.423 2.830 50 0 EFAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)c(C)c1 ZINC000069970835 202300144 /nfs/dbraw/zinc/30/01/44/202300144.db2.gz IEVXDMPPXARISI-MRXNPFEDSA-N 0 0 332.444 2.608 50 0 EFAARN COc1ccc(C(=O)NCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000035672992 202308018 /nfs/dbraw/zinc/30/80/18/202308018.db2.gz RSBLCSHXWMRGNG-UHFFFAOYSA-N 0 0 341.342 2.857 50 0 EFAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1N ZINC000035945926 202311088 /nfs/dbraw/zinc/31/10/88/202311088.db2.gz NLBCFSCFNDCVCB-MRXNPFEDSA-N 0 0 349.228 2.883 50 0 EFAARN CCOC(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC000035876001 202311181 /nfs/dbraw/zinc/31/11/81/202311181.db2.gz FQMUOIZSRNYHTL-UHFFFAOYSA-N 0 0 330.569 2.860 50 0 EFAARN COc1ccc(NC(=O)Cn2sc3ccccc3c2=O)c(OC)c1 ZINC000036366565 202323613 /nfs/dbraw/zinc/32/36/13/202323613.db2.gz JRPHKHSCDHQGID-UHFFFAOYSA-N 0 0 344.392 2.719 50 0 EFAARN Cc1sc(-n2cnnn2)c(C(=O)NCc2ccc(Cl)cc2)c1C ZINC000036360856 202323623 /nfs/dbraw/zinc/32/36/23/202323623.db2.gz ILDDKJPXGBTSHG-UHFFFAOYSA-N 0 0 347.831 2.924 50 0 EFAARN COc1cccc(-c2nn3c(nnc3-c3cccnc3)s2)c1OC ZINC000036360175 202322559 /nfs/dbraw/zinc/32/25/59/202322559.db2.gz ZIJAGJWJGAGNPS-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN O=C(Nc1cccnc1)c1ccc(Cn2cnc3ccccc3c2=O)o1 ZINC000036357582 202323005 /nfs/dbraw/zinc/32/30/05/202323005.db2.gz PFHLVPTZUMAQKT-UHFFFAOYSA-N 0 0 346.346 2.685 50 0 EFAARN COc1cc(OC)cc(-c2nnc3sc(-c4ccncc4)nn32)c1 ZINC000036352673 202323071 /nfs/dbraw/zinc/32/30/71/202323071.db2.gz HVZFYXWDFTZADX-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN O=C(CCn1sc2ccccc2c1=O)Nc1nnc(C2CC2)s1 ZINC000036354020 202323127 /nfs/dbraw/zinc/32/31/27/202323127.db2.gz WHXOWFJGDGIZES-UHFFFAOYSA-N 0 0 346.437 2.821 50 0 EFAARN Cn1cc(C(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O ZINC000070666258 202336522 /nfs/dbraw/zinc/33/65/22/202336522.db2.gz SZXRKZPILUBBLC-UHFFFAOYSA-N 0 0 345.402 2.923 50 0 biogenic EFAARN O=S(=O)(/C=C/c1ccccc1)N1CCC2(CC1)OCCS2 ZINC000070637345 202336559 /nfs/dbraw/zinc/33/65/59/202336559.db2.gz QIUZTXKGYJQRMT-AWNIVKPZSA-N 0 0 325.455 2.543 50 0 EFAARN Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000070635748 202336714 /nfs/dbraw/zinc/33/67/14/202336714.db2.gz HHZBPYNKDYCKEP-GFCCVEGCSA-N 0 0 349.836 2.861 50 0 EFAARN COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)NCC3)c1OC ZINC000070638338 202337081 /nfs/dbraw/zinc/33/70/81/202337081.db2.gz CWQUNDGTZJDJKY-UHFFFAOYSA-N 0 0 341.367 2.634 50 0 EFAARN CN(CC(=O)NCc1ccncc1)c1nc2c(cccc2F)s1 ZINC000070973664 202339370 /nfs/dbraw/zinc/33/93/70/202339370.db2.gz OIMIZKJDZZSDRM-UHFFFAOYSA-N 0 0 330.388 2.583 50 0 EFAARN Cc1ccc(NC(=O)CSc2ccc(-n3ccnc3)nn2)cc1F ZINC000070688627 202337582 /nfs/dbraw/zinc/33/75/82/202337582.db2.gz GIBGPBNHCXKSDI-UHFFFAOYSA-N 0 0 343.387 2.841 50 0 EFAARN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)Nc1ccccc1 ZINC000070927154 202337698 /nfs/dbraw/zinc/33/76/98/202337698.db2.gz MIXZZIVLQNCRHS-UHFFFAOYSA-N 0 0 338.411 2.756 50 0 EFAARN O=C(NCc1cccs1)C1CN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000070812053 202338300 /nfs/dbraw/zinc/33/83/00/202338300.db2.gz IMUTZCYXTKNTJS-UHFFFAOYSA-N 0 0 339.420 2.618 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(C)oc2C)c(C)c1 ZINC000070970650 202338581 /nfs/dbraw/zinc/33/85/81/202338581.db2.gz HURMSOJLLVITMC-UHFFFAOYSA-N 0 0 336.413 2.642 50 0 EFAARN COc1ccc(NC(=O)CCCc2ccccc2)cc1-n1cnnn1 ZINC000036366250 202324211 /nfs/dbraw/zinc/32/42/11/202324211.db2.gz YUGRRBVTINRZQD-UHFFFAOYSA-N 0 0 337.383 2.632 50 0 EFAARN COc1ccccc1OCCNC(=O)c1sc(NC2CC2)nc1C ZINC000036366595 202324373 /nfs/dbraw/zinc/32/43/73/202324373.db2.gz ZFIHGDJCVYBIEJ-UHFFFAOYSA-N 0 0 347.440 2.843 50 0 EFAARN COc1ccc(NCc2nn(Cc3ccccc3Cl)c(=O)[nH]2)cc1 ZINC000036559162 202325642 /nfs/dbraw/zinc/32/56/42/202325642.db2.gz OGYDYOPDACRJSH-UHFFFAOYSA-N 0 0 344.802 2.894 50 0 EFAARN Cc1noc2nc(C)cc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)c12 ZINC000036617429 202327147 /nfs/dbraw/zinc/32/71/47/202327147.db2.gz VTSSWVKFSRMBEU-SECBINFHSA-N 0 0 327.388 2.681 50 0 EFAARN Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1F ZINC000036636400 202328543 /nfs/dbraw/zinc/32/85/43/202328543.db2.gz KFLLOBVNYHGBEK-UHFFFAOYSA-N 0 0 348.443 2.641 50 0 EFAARN CCCCOc1ccc(S(=O)(=O)NC[C@H](C)O)c2ccccc12 ZINC000036638798 202328587 /nfs/dbraw/zinc/32/85/87/202328587.db2.gz NALZZEUYOWMHML-ZDUSSCGKSA-N 0 0 337.441 2.678 50 0 EFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCCC1)C2=O ZINC000036694972 202328803 /nfs/dbraw/zinc/32/88/03/202328803.db2.gz RWIPWZUPLLFNME-UHFFFAOYSA-N 0 0 349.475 2.572 50 0 EFAARN O=S(=O)(Cc1cccc(F)c1)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000070967701 202339389 /nfs/dbraw/zinc/33/93/89/202339389.db2.gz WEXUBVJHJRQTCK-GOSISDBHSA-N 0 0 349.427 2.543 50 0 EFAARN COC(=O)[C@]1(Cc2ccccc2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000071250463 202344070 /nfs/dbraw/zinc/34/40/70/202344070.db2.gz RZVFNCJYXSLWPA-LJQANCHMSA-N 0 0 347.411 2.598 50 0 EFAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cn2cccn2)o1 ZINC000072255818 202359423 /nfs/dbraw/zinc/35/94/23/202359423.db2.gz OJSGLJNLMSJBEM-UHFFFAOYSA-N 0 0 334.339 2.562 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000072278959 202360905 /nfs/dbraw/zinc/36/09/05/202360905.db2.gz SITREQUGYZEFRW-AWEZNQCLSA-N 0 0 337.345 2.884 50 0 EFAARN COc1cc(C2(C(=O)N[C@@H]3CCc4nc(C)cn4C3)CC2)ccc1C ZINC000072279083 202361112 /nfs/dbraw/zinc/36/11/12/202361112.db2.gz ROGXHHSVAOOIBF-MRXNPFEDSA-N 0 0 339.439 2.671 50 0 EFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1cccc2[nH]ccc21 ZINC000072324467 202364051 /nfs/dbraw/zinc/36/40/51/202364051.db2.gz ZEMCYDDWTNJFAW-UHFFFAOYSA-N 0 0 332.363 2.907 50 0 biogenic EFAARN O=C(COc1ccc(F)cc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000074584082 202373352 /nfs/dbraw/zinc/37/33/52/202373352.db2.gz SFQLKALEIADTAE-AWEZNQCLSA-N 0 0 343.354 2.949 50 0 EFAARN Cc1ccccc1CS(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000074917897 202373616 /nfs/dbraw/zinc/37/36/16/202373616.db2.gz AGHHRSPIKKSPRK-UHFFFAOYSA-N 0 0 333.409 2.686 50 0 EFAARN COc1ccc(C[C@@](C)(O)CNC(=O)NCc2cccs2)cc1 ZINC000075155590 202376593 /nfs/dbraw/zinc/37/65/93/202376593.db2.gz QISGQJSRUALIHO-QGZVFWFLSA-N 0 0 334.441 2.550 50 0 EFAARN COc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)cc1Cl ZINC000075163588 202377121 /nfs/dbraw/zinc/37/71/21/202377121.db2.gz VMBPCNCFYMBJKF-UHFFFAOYSA-N 0 0 347.737 2.716 50 0 EFAARN CSc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)cc1 ZINC000075163515 202377157 /nfs/dbraw/zinc/37/71/57/202377157.db2.gz PTUIOYMXZBMLNK-UHFFFAOYSA-N 0 0 329.360 2.776 50 0 EFAARN Cc1noc(-c2cccn(Cc3noc(-c4ccccc4C)n3)c2=O)n1 ZINC000075166112 202377777 /nfs/dbraw/zinc/37/77/77/202377777.db2.gz QFVXKGITJAPISR-UHFFFAOYSA-N 0 0 349.350 2.613 50 0 EFAARN COC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1cccs1 ZINC000075165712 202378108 /nfs/dbraw/zinc/37/81/08/202378108.db2.gz GKQNKUYQHIGJDT-OAHLLOKOSA-N 0 0 330.409 2.730 50 0 EFAARN O=C(/C=C/c1ccccc1)NCCNc1ccc(-n2cccc2)nn1 ZINC000075172204 202378354 /nfs/dbraw/zinc/37/83/54/202378354.db2.gz SUMIOFJAPCHOJK-DHZHZOJOSA-N 0 0 333.395 2.509 50 0 EFAARN Cc1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)c1cccs1 ZINC000077114681 202383436 /nfs/dbraw/zinc/38/34/36/202383436.db2.gz RCURMNLYSQTJLB-GFCCVEGCSA-N 0 0 329.418 2.598 50 0 EFAARN COc1ccc(CCNC(=O)NCC[C@H](O)c2cccs2)cc1 ZINC000077116066 202383835 /nfs/dbraw/zinc/38/38/35/202383835.db2.gz YCLXRNOQBNLWRG-HNNXBMFYSA-N 0 0 334.441 2.722 50 0 EFAARN COc1ccc(NC(=O)c2c(C)c(C)sc2-n2cnnn2)cc1 ZINC000040267350 202430362 /nfs/dbraw/zinc/43/03/62/202430362.db2.gz OLWYPUJICYKIIO-UHFFFAOYSA-N 0 0 329.385 2.602 50 0 EFAARN Cc1nn(C)cc1-c1nn2c(Cc3ccc(F)cc3)nnc2s1 ZINC000040287800 202432185 /nfs/dbraw/zinc/43/21/85/202432185.db2.gz OARZWUXOKUOUGG-UHFFFAOYSA-N 0 0 328.376 2.625 50 0 EFAARN Cc1cc(-c2cc(N)n([C@@H]3CCS(=O)(=O)C3)n2)ccc1OC(C)C ZINC000041155885 202475299 /nfs/dbraw/zinc/47/52/99/202475299.db2.gz CBGOSOMDJAAORB-CQSZACIVSA-N 0 0 349.456 2.588 50 0 EFAARN c1ccc(Nc2nc(NC3CCCC3)nc(N3CCOCC3)n2)cc1 ZINC000000051946 209390545 /nfs/dbraw/zinc/39/05/45/209390545.db2.gz BYFHHLZDYHBSEW-UHFFFAOYSA-N 0 0 340.431 2.806 50 0 EFAARN O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006730686 304097402 /nfs/dbraw/zinc/09/74/02/304097402.db2.gz QVLAYGXJFWHKFA-MUDYYLEHSA-N 0 0 348.487 2.600 50 0 EFAARN CCCc1ncncc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072432417 216227355 /nfs/dbraw/zinc/22/73/55/216227355.db2.gz CYOPDYOCNUKKOF-UHFFFAOYSA-N 0 0 342.418 2.526 50 0 EFAARN CC(C)[C@H](O)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072433224 216228148 /nfs/dbraw/zinc/22/81/48/216228148.db2.gz MYLHTCPISHCECB-AWEZNQCLSA-N 0 0 345.361 2.532 50 0 EFAARN Cc1nn2c(nc(C)cc2N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000072433799 216228433 /nfs/dbraw/zinc/22/84/33/216228433.db2.gz DSFYBQSGMXXKDH-QGZVFWFLSA-N 0 0 349.438 2.868 50 0 EFAARN CNC(=O)Cn1cc(-c2cc(NC3CCCC3)nc3[nH]ccc32)cn1 ZINC000072433450 216228496 /nfs/dbraw/zinc/22/84/96/216228496.db2.gz OJVATHXXYQKOHV-UHFFFAOYSA-N 0 0 338.415 2.527 50 0 EFAARN CC(C)c1cc(N2CCN(C(=O)c3ccccc3)CC2)n2nccc2n1 ZINC000072434200 216229001 /nfs/dbraw/zinc/22/90/01/216229001.db2.gz VMYQHDNAUUREKI-UHFFFAOYSA-N 0 0 349.438 2.815 50 0 EFAARN Cc1cc2nc(C)cc(N3CCC([C@@H](O)c4ccccn4)CC3)n2n1 ZINC000072431302 216223864 /nfs/dbraw/zinc/22/38/64/216223864.db2.gz CKYGFIHLJOWSDF-LJQANCHMSA-N 0 0 337.427 2.691 50 0 EFAARN CN(CC1(CO)CCC1)c1nc(C2CCCC2)nc2c1cnn2C ZINC000072431703 216225507 /nfs/dbraw/zinc/22/55/07/216225507.db2.gz CAZNWEQGFUUAQL-UHFFFAOYSA-N 0 0 329.448 2.620 50 0 EFAARN CC(C)c1nccc(CN2CCN(CCOc3ccccc3)CC2)n1 ZINC000072431574 216225592 /nfs/dbraw/zinc/22/55/92/216225592.db2.gz VEFYAEVTGRMPSC-UHFFFAOYSA-N 0 0 340.471 2.797 50 0 EFAARN Cc1ccc(C[NH+]2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)o1 ZINC000072432892 216226351 /nfs/dbraw/zinc/22/63/51/216226351.db2.gz LFWLTQPHKVIEPH-UHFFFAOYSA-N 0 0 331.416 2.984 50 0 EFAARN COc1c(F)cc(CN2CCC[C@]3(CN(C)C(=O)O3)C2)cc1Cl ZINC000072432724 216226721 /nfs/dbraw/zinc/22/67/21/216226721.db2.gz XMHAEEBUBGFUGG-INIZCTEOSA-N 0 0 342.798 2.904 50 0 EFAARN Cc1ccccc1CN1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000072476738 216254804 /nfs/dbraw/zinc/25/48/04/216254804.db2.gz DUKBIPDLUSKQMA-IBGZPJMESA-N 0 0 342.414 2.512 50 0 EFAARN O=C([O-])[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000225370711 201036210 /nfs/dbraw/zinc/03/62/10/201036210.db2.gz VJTZVYYNOKAGNU-WIRSXHRWSA-N 0 0 348.402 2.797 50 0 EFAARN C[C@@H](OCC1CC1)C(=O)Nc1nc2ccccc2nc1N1CCCC1 ZINC000064783169 201055594 /nfs/dbraw/zinc/05/55/94/201055594.db2.gz DYYCPCYRGJTZGM-CYBMUJFWSA-N 0 0 340.427 2.984 50 0 EFAARN CCOCc1ccccc1CNC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000048252494 201110474 /nfs/dbraw/zinc/11/04/74/201110474.db2.gz USDLMAAFYIGJSU-QGZVFWFLSA-N 0 0 342.443 2.833 50 0 EFAARN C[C@H](NC(=O)COCC(F)(F)F)c1nc(-c2ccc(F)cc2)no1 ZINC000359998876 201124080 /nfs/dbraw/zinc/12/40/80/201124080.db2.gz YCTKHYHSQXTXIR-QMMMGPOBSA-N 0 0 347.268 2.632 50 0 EFAARN Fc1ccc(-c2nnc(CN3CCC(c4cc[nH]n4)CC3)o2)cc1 ZINC000058265351 201142256 /nfs/dbraw/zinc/14/22/56/201142256.db2.gz LAMNRPUHDOUHDL-UHFFFAOYSA-N 0 0 327.363 2.978 50 0 EFAARN COc1c(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c(C)nn1C ZINC000058393382 201142289 /nfs/dbraw/zinc/14/22/89/201142289.db2.gz MQPYWSRRMZONKG-ZDUSSCGKSA-N 0 0 342.443 2.715 50 0 EFAARN O=C(c1n[nH]c2ccccc21)N1CC[C@H](c2noc(-c3ccco3)n2)C1 ZINC000240104242 201152310 /nfs/dbraw/zinc/15/23/10/201152310.db2.gz UMVSDUAYERLNTC-NSHDSACASA-N 0 0 349.350 2.836 50 0 EFAARN O=C(c1n[nH]c2ccccc21)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 ZINC000240104241 201152470 /nfs/dbraw/zinc/15/24/70/201152470.db2.gz UMVSDUAYERLNTC-LLVKDONJSA-N 0 0 349.350 2.836 50 0 EFAARN COc1cc(=O)n2c(c1C(=O)Nc1nc3ccccc3s1)CCC2 ZINC000239611757 201153068 /nfs/dbraw/zinc/15/30/68/201153068.db2.gz FDKAFKRDOFGFES-UHFFFAOYSA-N 0 0 341.392 2.665 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(OCC3CC3)cc1)C2 ZINC000065466110 201154314 /nfs/dbraw/zinc/15/43/14/201154314.db2.gz QAVXGPONYZPDNF-INIZCTEOSA-N 0 0 325.412 2.725 50 0 EFAARN CC(C)c1nc(CC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cs1 ZINC000065466351 201154795 /nfs/dbraw/zinc/15/47/95/201154795.db2.gz CJFSSVZJRMRRSG-LBPRGKRZSA-N 0 0 347.488 2.655 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](C)Oc1ccc3c(c1)CCC3)C2 ZINC000065463466 201154901 /nfs/dbraw/zinc/15/49/01/201154901.db2.gz KLPHZYXBSNNVFT-YOEHRIQHSA-N 0 0 339.439 2.579 50 0 EFAARN COc1ccc(C[C@H]2CCCN2c2ncnc3c2CN(C)CC3)cc1 ZINC000065474263 201154946 /nfs/dbraw/zinc/15/49/46/201154946.db2.gz KEXFGHYPROXPJX-MRXNPFEDSA-N 0 0 338.455 2.685 50 0 EFAARN CCc1ccc2c(CC(=O)N[C@H]3CCc4nnc(C)n4C3)coc2c1 ZINC000065530250 201156404 /nfs/dbraw/zinc/15/64/04/201156404.db2.gz 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CCOC(=O)C(Cc1cc(C(C)=O)ccc1OCC)C(=O)OCC ZINC000002890826 201358738 /nfs/dbraw/zinc/35/87/38/201358738.db2.gz KSYVBCXVTHIBJM-UHFFFAOYSA-N 0 0 336.384 2.573 50 0 biogenic EFAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2c(c1)OCO2 ZINC000003493798 201360910 /nfs/dbraw/zinc/36/09/10/201360910.db2.gz FBUGRPMUSKYZRO-UHFFFAOYSA-N 0 0 339.303 2.539 50 0 biogenic EFAARN CSC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000151057890 201390299 /nfs/dbraw/zinc/39/02/99/201390299.db2.gz FPZUABZOHGTYKB-AWEZNQCLSA-N 0 0 335.391 2.868 50 0 EFAARN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(-c2ccccc2)on1 ZINC000152374559 201391694 /nfs/dbraw/zinc/39/16/94/201391694.db2.gz UYDBLKHVMQPGIB-OAHLLOKOSA-N 0 0 334.379 2.745 50 0 EFAARN CC(C)c1ccc(OCC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000152560263 201392247 /nfs/dbraw/zinc/39/22/47/201392247.db2.gz FEOOXKNUVNYXOV-KRWDZBQOSA-N 0 0 339.439 2.979 50 0 EFAARN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000152641269 201392863 /nfs/dbraw/zinc/39/28/63/201392863.db2.gz 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/nfs/dbraw/zinc/38/13/52/201381352.db2.gz ATOWAIXJOFYGCS-AWEZNQCLSA-N 0 0 340.402 2.794 50 0 EFAARN Fc1ccc(-c2nnc(CN3CCO[C@@H](c4nccs4)C3)o2)cc1 ZINC000097203921 201384659 /nfs/dbraw/zinc/38/46/59/201384659.db2.gz ZNFPRRWQDOGXBN-CYBMUJFWSA-N 0 0 346.387 2.906 50 0 EFAARN O=C(Nc1nc2ccccc2[nH]1)c1csc(NC[C@@H]2CCCO2)n1 ZINC000044900490 202532585 /nfs/dbraw/zinc/53/25/85/202532585.db2.gz LHQNQWQMRZEOPL-JTQLQIEISA-N 0 0 343.412 2.863 50 0 EFAARN COC(=O)c1ccc(Cn2nc(-c3ccccc3Cl)ccc2=O)o1 ZINC000044919691 202535005 /nfs/dbraw/zinc/53/50/05/202535005.db2.gz KBCJFOPERWKQFG-UHFFFAOYSA-N 0 0 344.754 2.992 50 0 EFAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000000527360 541309077 /nfs/dbraw/zinc/30/90/77/541309077.db2.gz ZHBFDIQQVCEHEN-UHFFFAOYSA-N 0 0 343.412 2.545 50 0 EFAARN CCc1nc(NC(=O)NCc2csc(-c3ccccc3)n2)nn1C ZINC000048134992 202592277 /nfs/dbraw/zinc/59/22/77/202592277.db2.gz DGWDEGFUQIYANU-UHFFFAOYSA-N 0 0 342.428 2.823 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000085559631 202623676 /nfs/dbraw/zinc/62/36/76/202623676.db2.gz LCSTYPFBKBOPFB-MRXNPFEDSA-N 0 0 346.814 2.808 50 0 EFAARN COc1ccccc1NC(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000085561151 202623940 /nfs/dbraw/zinc/62/39/40/202623940.db2.gz QPJBGDSQFXGQEJ-CQSZACIVSA-N 0 0 344.367 2.669 50 0 EFAARN O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000085559083 202624741 /nfs/dbraw/zinc/62/47/41/202624741.db2.gz CLISUPUNZDJPFX-MRXNPFEDSA-N 0 0 331.799 2.667 50 0 EFAARN CC[C@H](C(=O)NC[C@]1(O)CCOc2ccccc21)c1ccccc1 ZINC000085470304 202619369 /nfs/dbraw/zinc/61/93/69/202619369.db2.gz XZUQCSHMEVINKC-OXJNMPFZSA-N 0 0 325.408 2.967 50 0 EFAARN COc1ccc(Cl)cc1C(=O)Nc1cnc(-n2cccn2)nc1 ZINC000085470366 202619621 /nfs/dbraw/zinc/61/96/21/202619621.db2.gz JPSDSWALPYFYPU-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN CC[C@@H](CO)N(Cc1ccco1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000055074098 202678227 /nfs/dbraw/zinc/67/82/27/202678227.db2.gz SUNKMWBWBGWRJP-HNNXBMFYSA-N 0 0 345.395 2.741 50 0 EFAARN C=Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)cc1 ZINC000055107904 202680203 /nfs/dbraw/zinc/68/02/03/202680203.db2.gz OPOXKNHQBRZCFN-UHFFFAOYSA-N 0 0 336.435 2.780 50 0 EFAARN Cc1c(NC(=O)[C@@H]2CCOC2)cccc1C(=O)Nc1nccs1 ZINC000055182477 202682547 /nfs/dbraw/zinc/68/25/47/202682547.db2.gz KGYDIUXNILQXAA-LLVKDONJSA-N 0 0 331.397 2.679 50 0 EFAARN Cc1ccsc1CCNC(=O)C(C)(C)NC(=O)c1cccs1 ZINC000055212017 202683627 /nfs/dbraw/zinc/68/36/27/202683627.db2.gz QDZBIQOVJBADTN-UHFFFAOYSA-N 0 0 336.482 2.985 50 0 EFAARN CC(=O)N[C@@H](C)C(=O)Nc1cc(C)ccc1NC(=O)c1ccccc1 ZINC000055196655 202684634 /nfs/dbraw/zinc/68/46/34/202684634.db2.gz CSEKZASDOBRSGQ-ZDUSSCGKSA-N 0 0 339.395 2.710 50 0 EFAARN CC(C)[C@@H](C)N(Cc1ccco1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000055271203 202686877 /nfs/dbraw/zinc/68/68/77/202686877.db2.gz CMDDXLIVLOTJCE-CQSZACIVSA-N 0 0 339.399 2.942 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)Cc1c(C)nn(C)c1Cl ZINC000055308727 202687697 /nfs/dbraw/zinc/68/76/97/202687697.db2.gz NBOBLRSYDQPRBB-UHFFFAOYSA-N 0 0 325.844 2.986 50 0 EFAARN Cc1c(NCc2cccnc2)cccc1C(=O)N(C)Cc1cc[nH]n1 ZINC000055414371 202692829 /nfs/dbraw/zinc/69/28/29/202692829.db2.gz KHQUVSAMHMCPNA-UHFFFAOYSA-N 0 0 335.411 2.997 50 0 EFAARN CCCC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2cnccn2)c1 ZINC000055402278 202692081 /nfs/dbraw/zinc/69/20/81/202692081.db2.gz FURWZDUNCAEVHK-ZDUSSCGKSA-N 0 0 326.400 2.576 50 0 EFAARN Cc1noc2nc(C)cc(C(=O)NC[C@H]3COc4ccccc4C3)c12 ZINC000054886920 202676210 /nfs/dbraw/zinc/67/62/10/202676210.db2.gz PMZVAAREPQDSQT-ZDUSSCGKSA-N 0 0 337.379 2.821 50 0 EFAARN Cc1nnc(SCCCNC(=O)c2ccc3c(c2)CCO3)s1 ZINC000055415074 202693580 /nfs/dbraw/zinc/69/35/80/202693580.db2.gz AQZDNOMNRKVSKP-UHFFFAOYSA-N 0 0 335.454 2.694 50 0 EFAARN CCN(Cc1ccccc1)C(=O)c1cn(-c2ccc(OC)cc2)nn1 ZINC000057511657 202723298 /nfs/dbraw/zinc/72/32/98/202723298.db2.gz IUPCULADRIIEQG-UHFFFAOYSA-N 0 0 336.395 2.938 50 0 EFAARN CC[C@H](c1nn2c(CN3CCOCC3)nnc2s1)c1ccccc1 ZINC000057524412 202723496 /nfs/dbraw/zinc/72/34/96/202723496.db2.gz JREJPZCUBPTVLJ-AWEZNQCLSA-N 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/nfs/dbraw/zinc/62/02/62/201620262.db2.gz AQMSFEAPOKEDDS-UHFFFAOYSA-N 0 0 327.167 2.746 50 0 EFAARN NC(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000004842488 201622068 /nfs/dbraw/zinc/62/20/68/201622068.db2.gz KLUDYQUCCZSJFL-UHFFFAOYSA-N 0 0 338.407 2.603 50 0 EFAARN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000004842829 201622165 /nfs/dbraw/zinc/62/21/65/201622165.db2.gz OSUCRAVKGPOFES-CYBMUJFWSA-N 0 0 332.425 2.939 50 0 EFAARN Cc1cc(F)ccc1NC(=O)c1nnn(Cc2ccccc2)c1N ZINC000004852148 201622175 /nfs/dbraw/zinc/62/21/75/201622175.db2.gz QYXNFMXIAKCWTQ-UHFFFAOYSA-N 0 0 325.347 2.608 50 0 EFAARN CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C ZINC000004867397 201624466 /nfs/dbraw/zinc/62/44/66/201624466.db2.gz KPEQACMDLOIUNT-UHFFFAOYSA-N 0 0 335.791 2.969 50 0 EFAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]c2ccccc21 ZINC000020994749 212194983 /nfs/dbraw/zinc/19/49/83/212194983.db2.gz JSFFESUEQFNIQK-UHFFFAOYSA-N 0 0 336.395 2.647 50 0 EFAARN CCO[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)c(Cl)c2)C1=O 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CCN(CC)C(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl ZINC000005247140 201644230 /nfs/dbraw/zinc/64/42/30/201644230.db2.gz BYSDIVWPLCNQBN-SECBINFHSA-N 0 0 348.727 2.671 50 0 EFAARN Cc1cccc(-n2ncc3c4nnc(-c5cccnc5)n4cnc32)c1 ZINC000005243660 201644679 /nfs/dbraw/zinc/64/46/79/201644679.db2.gz GSQHOQJBFYQSSN-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN Cc1cccc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1 ZINC000020950660 212193751 /nfs/dbraw/zinc/19/37/51/212193751.db2.gz QEHGMTMDCXKGFN-QGZVFWFLSA-N 0 0 330.453 2.860 50 0 EFAARN CC(=O)c1ccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)cc1 ZINC000005306250 201646128 /nfs/dbraw/zinc/64/61/28/201646128.db2.gz ZXXLQCNXUJEKKD-LBPRGKRZSA-N 0 0 335.363 2.799 50 0 EFAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccnc1 ZINC000005302491 201646390 /nfs/dbraw/zinc/64/63/90/201646390.db2.gz UYTQEZCMMTZSJU-UHFFFAOYSA-N 0 0 336.395 2.991 50 0 EFAARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000005388220 201649435 /nfs/dbraw/zinc/64/94/35/201649435.db2.gz RJMIHSMUWLOPIY-UHFFFAOYSA-N 0 0 347.374 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COc1ccc([C@H](NC(=O)Cc2cccc(C)c2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244595032 243041550 /nfs/dbraw/zinc/04/15/50/243041550.db2.gz DNJNICMCMUUSAU-QKLQHJQFSA-N 0 0 340.423 2.570 50 0 EFAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCCN1CCCC1=O ZINC000006661139 201690221 /nfs/dbraw/zinc/69/02/21/201690221.db2.gz NGXNSZJZXXIKOW-UHFFFAOYSA-N 0 0 343.452 2.861 50 0 EFAARN COC[C@H](C)NC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000006670068 201690371 /nfs/dbraw/zinc/69/03/71/201690371.db2.gz IBYLHNKQAUGWMO-JTQLQIEISA-N 0 0 328.397 2.518 50 0 EFAARN Cc1[nH]c2ccccc2c(=O)c1CCC(=O)NCC1(O)CCCCC1 ZINC000244620006 243043711 /nfs/dbraw/zinc/04/37/11/243043711.db2.gz FKBLPNCUSQUIFG-UHFFFAOYSA-N 0 0 342.439 2.993 50 0 EFAARN CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000006701365 201691167 /nfs/dbraw/zinc/69/11/67/201691167.db2.gz GSEWOGWBTXDTDT-UHFFFAOYSA-N 0 0 335.425 2.915 50 0 EFAARN O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccncc1O ZINC000244716195 243067060 /nfs/dbraw/zinc/06/70/60/243067060.db2.gz 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O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006730683 304174292 /nfs/dbraw/zinc/17/42/92/304174292.db2.gz QVLAYGXJFWHKFA-RLNQZENFSA-N 0 0 348.487 2.600 50 0 EFAARN O=C(NC(=S)N1CCCC[C@@H]1c1cccnc1)c1cccnc1 ZINC000000487619 205472541 /nfs/dbraw/zinc/47/25/41/205472541.db2.gz WGWZJMFTEHBPLQ-OAHLLOKOSA-N 0 0 326.425 2.719 50 0 biogenic EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2NC(=O)Nc1ccccc1 ZINC000000525797 205482216 /nfs/dbraw/zinc/48/22/16/205482216.db2.gz OLACZKDWLCWIAW-HNNXBMFYSA-N 0 0 328.324 2.695 50 0 biogenic EFAARN O=C(Nc1cnc2n1CCCC2)c1ccc(-c2ccccc2)[nH]c1=O ZINC000067804395 284393276 /nfs/dbraw/zinc/39/32/76/284393276.db2.gz LBYKDPKUWHRVFA-UHFFFAOYSA-N 0 0 334.379 2.827 50 0 EFAARN COc1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)cc1 ZINC000002712170 205627204 /nfs/dbraw/zinc/62/72/04/205627204.db2.gz DBKFNKAIRVSDAK-UHFFFAOYSA-N 0 0 338.363 2.657 50 0 EFAARN CCCS(=O)(=O)N1CCN=C1SCc1cccc(Cl)c1 ZINC000002711807 205627465 /nfs/dbraw/zinc/62/74/65/205627465.db2.gz 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CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000000456491 206241357 /nfs/dbraw/zinc/24/13/57/206241357.db2.gz TVYJWGVDNJQAHQ-NSHDSACASA-N 0 0 325.792 2.764 50 0 EFAARN CC[C@@H](C(=O)Nc1nn2c(nc(C)c(Cl)c2=O)[nH]1)c1ccccc1 ZINC000100650756 206255135 /nfs/dbraw/zinc/25/51/35/206255135.db2.gz WTNYKQQDJSIDOG-LLVKDONJSA-N 0 0 345.790 2.512 50 0 EFAARN CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1cccnc1 ZINC000100794096 206256326 /nfs/dbraw/zinc/25/63/26/206256326.db2.gz RMVAFDGCPIEPLR-UHFFFAOYSA-N 0 0 337.379 2.762 50 0 biogenic EFAARN Cc1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)c2ccccc2n1 ZINC000001164156 206267103 /nfs/dbraw/zinc/26/71/03/206267103.db2.gz XYALGWLHVWIFAT-UHFFFAOYSA-N 0 0 346.342 2.954 50 0 EFAARN C[C@@H]1c2cc(NS(=O)(=O)c3ccccc3)cc3c2N(CCC3)C1=O ZINC000101078692 206267965 /nfs/dbraw/zinc/26/79/65/206267965.db2.gz IJSWYLOFHPKSPH-GFCCVEGCSA-N 0 0 342.420 2.884 50 0 EFAARN CC(C)CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013696606 211615298 /nfs/dbraw/zinc/61/52/98/211615298.db2.gz 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/nfs/dbraw/zinc/81/86/05/132818605.db2.gz FHPZMWAVVBKFEW-MRXNPFEDSA-N 0 0 338.407 2.638 50 0 EFAARN CCc1nc(C)sc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000082120137 132818968 /nfs/dbraw/zinc/81/89/68/132818968.db2.gz BPWXLMFMDRIKRJ-UHFFFAOYSA-N 0 0 343.452 2.811 50 0 EFAARN CCc1cc2c(ncnc2N2CCN(c3ccccn3)CC2)s1 ZINC000000198591 135646775 /nfs/dbraw/zinc/64/67/75/135646775.db2.gz KGADSAGDWSKRGE-UHFFFAOYSA-N 0 0 325.441 2.975 50 0 EFAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCCC[C@H]1C ZINC000000526082 135651948 /nfs/dbraw/zinc/65/19/48/135651948.db2.gz WXLBBNLXLAVRIZ-CYBMUJFWSA-N 0 0 343.431 2.835 50 0 EFAARN COc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 ZINC000000582989 135653115 /nfs/dbraw/zinc/65/31/15/135653115.db2.gz LTEXUNWUXNSVLB-UHFFFAOYSA-N 0 0 346.770 2.713 50 0 EFAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C ZINC000000617398 135653127 /nfs/dbraw/zinc/65/31/27/135653127.db2.gz NEMGRDWSIDGDQR-UHFFFAOYSA-N 0 0 348.443 2.953 50 0 EFAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCc2ccccc21 ZINC000004820902 135666862 /nfs/dbraw/zinc/66/68/62/135666862.db2.gz FUVCQLLVBHTCQM-UHFFFAOYSA-N 0 0 334.375 2.933 50 0 EFAARN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)cc2)CC1 ZINC000004842972 135667207 /nfs/dbraw/zinc/66/72/07/135667207.db2.gz YOLZWWZMFDUWGR-UHFFFAOYSA-N 0 0 337.423 2.916 50 0 EFAARN Cn1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000006079739 135673609 /nfs/dbraw/zinc/67/36/09/135673609.db2.gz YEQHJANFWGUCRS-UHFFFAOYSA-N 0 0 335.864 2.593 50 0 EFAARN CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840637 135685061 /nfs/dbraw/zinc/68/50/61/135685061.db2.gz KVQCOUIIHIIBNK-UHFFFAOYSA-N 0 0 344.436 2.928 50 0 EFAARN Cc1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@H]2C)cc1 ZINC000015905797 135709096 /nfs/dbraw/zinc/70/90/96/135709096.db2.gz UTWMTBSTTGAIBT-CQSZACIVSA-N 0 0 336.482 2.956 50 0 EFAARN CS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000016975037 135711503 /nfs/dbraw/zinc/71/15/03/135711503.db2.gz PSXPGWSFEPSLPM-UHFFFAOYSA-N 0 0 330.409 2.651 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N2CCC(O)CC2)n1 ZINC000020869065 135722819 /nfs/dbraw/zinc/72/28/19/135722819.db2.gz VREIBDNKDRKIPA-UHFFFAOYSA-N 0 0 349.438 2.907 50 0 EFAARN CCOC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(O)cc1 ZINC000028296237 285670702 /nfs/dbraw/zinc/67/07/02/285670702.db2.gz ZKSDQQBWLXKSRN-ZDUSSCGKSA-N 0 0 346.412 2.558 50 0 EFAARN O=c1c2cc3c(cc2nc2sc(NC4CCCCC4)nn21)OCO3 ZINC000012415936 296528890 /nfs/dbraw/zinc/52/88/90/296528890.db2.gz GQIKVNXLAUHSQF-UHFFFAOYSA-N 0 0 344.396 2.778 50 0 EFAARN Cc1ccc(C)c(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)c1 ZINC000095496446 292084350 /nfs/dbraw/zinc/08/43/50/292084350.db2.gz JIWITVPPKVEKGX-LJQANCHMSA-N 0 0 334.419 2.994 50 0 EFAARN Cc1ccc(N2CCN(CC(=O)Nc3nccs3)C[C@H]2C)cc1 ZINC000013737075 292134653 /nfs/dbraw/zinc/13/46/53/292134653.db2.gz ZZLYBTCECQRMRP-CQSZACIVSA-N 0 0 330.457 2.601 50 0 EFAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(C)=O)C1 ZINC000015062813 285900162 /nfs/dbraw/zinc/90/01/62/285900162.db2.gz PWNACXYKBMQEST-QGZVFWFLSA-N 0 0 325.355 2.699 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCn3c4ccccc4nc3C2)cc1 ZINC000000191089 292178504 /nfs/dbraw/zinc/17/85/04/292178504.db2.gz DFPDDJUKTMHYRA-UHFFFAOYSA-N 0 0 327.409 2.549 50 0 EFAARN Cc1nccn1CCCNC(=O)N1CCC(Cc2cccnc2)CC1 ZINC000373150142 151122318 /nfs/dbraw/zinc/12/23/18/151122318.db2.gz DXRAQHCQFLIFKW-UHFFFAOYSA-N 0 0 341.459 2.641 50 0 EFAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)ccc1O ZINC000001427546 286248004 /nfs/dbraw/zinc/24/80/04/286248004.db2.gz YDQNEPDGWHSVKB-GFCCVEGCSA-N 0 0 338.315 2.948 50 0 biogenic EFAARN c1nc(N2CCOCC2)sc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000374260753 151310581 /nfs/dbraw/zinc/31/05/81/151310581.db2.gz YNJZXAGPCGWNKI-MRXNPFEDSA-N 0 0 345.468 2.633 50 0 EFAARN COc1ccc(F)cc1[C@H]1CC(=O)NCc2nc3c(C)cccn3c21 ZINC000065399060 286322623 /nfs/dbraw/zinc/32/26/23/286322623.db2.gz OFZBHPZKQIHFHX-CQSZACIVSA-N 0 0 339.370 2.942 50 0 EFAARN CCO[C@]1(O)Oc2ccc3ccccc3c2[C@H]2NC(=O)N(C)C(C)=C21 ZINC000002161296 286551479 /nfs/dbraw/zinc/55/14/79/286551479.db2.gz BYSBMFGSGXRFEG-MJGOQNOKSA-N 0 0 340.379 2.885 50 0 biogenic EFAARN CCO[C@]1(c2ccc(C)cc2)NC(=O)c2cc3c(cc21)OCCO3 ZINC000012858418 286551542 /nfs/dbraw/zinc/55/15/42/286551542.db2.gz REILJMOKVDSARI-IBGZPJMESA-N 0 0 325.364 2.747 50 0 EFAARN Cc1ccc2c(ncn(C[C@H]3CC(=O)N(C(C)(C)C)C3)c2=O)c1C ZINC000032513762 292381508 /nfs/dbraw/zinc/38/15/08/292381508.db2.gz AIAUVFNEISAQQD-CQSZACIVSA-N 0 0 327.428 2.660 50 0 EFAARN Cc1ccc2nc3c(cc(C(=O)N4CCCC[C@@H]4C)n3C)c(=O)n2c1 ZINC000012421576 292393486 /nfs/dbraw/zinc/39/34/86/292393486.db2.gz WSZJCUXGZTXDAL-ZDUSSCGKSA-N 0 0 338.411 2.509 50 0 EFAARN Cc1cccc(N2C(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000001252329 292455355 /nfs/dbraw/zinc/45/53/55/292455355.db2.gz JXSMRCQMGAHTQX-IRXDYDNUSA-N 0 0 342.420 2.607 50 0 EFAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)C12CCCC2 ZINC000032101506 292520852 /nfs/dbraw/zinc/52/08/52/292520852.db2.gz GGPYXVHSMVXOOR-KRWDZBQOSA-N 0 0 344.455 2.710 50 0 EFAARN C[C@@H](c1ccccc1)N1CNc2c(c(=O)nc3n2C[C@H](C)S3)C1 ZINC000004722138 287146826 /nfs/dbraw/zinc/14/68/26/287146826.db2.gz IGLZKEQCKZPVDB-RYUDHWBXSA-N 0 0 328.441 2.684 50 0 EFAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)N2CCCN32)c1 ZINC000136205588 292558139 /nfs/dbraw/zinc/55/81/39/292558139.db2.gz RFTKYPUCCIFEFW-IPMKNSEASA-N 0 0 347.418 2.531 50 0 EFAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccccc3)N2C1=O ZINC000003066841 287343516 /nfs/dbraw/zinc/34/35/16/287343516.db2.gz QQFDNAQMTPRRSV-GXTWGEPZSA-N 0 0 330.409 2.898 50 0 EFAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ncc[nH]2)C1 ZINC000011936600 544424290 /nfs/dbraw/zinc/42/42/90/544424290.db2.gz VXIMPBFCGCKIAM-IBGZPJMESA-N 0 0 327.428 2.798 50 0 EFAARN CC(=O)c1cc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)n(C)c1 ZINC000092038892 544539759 /nfs/dbraw/zinc/53/97/59/544539759.db2.gz SSMCLFKLCCCFEH-UHFFFAOYSA-N 0 0 343.471 2.595 50 0 EFAARN O=C(NC[C@H]1OCCc2ccccc21)c1nc2ccccn2c1F ZINC000092038861 544540615 /nfs/dbraw/zinc/54/06/15/544540615.db2.gz MVFOQUDXRLRIHG-CQSZACIVSA-N 0 0 325.343 2.517 50 0 EFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(C)o1 ZINC000100505541 544560970 /nfs/dbraw/zinc/56/09/70/544560970.db2.gz HTSIOLCRLRZCFH-UHFFFAOYSA-N 0 0 333.384 2.949 50 0 EFAARN C[C@H](C(=O)Nc1n[nH]c2c1cccc2Cl)n1nnnc1C(C)(C)C ZINC000272252536 266205201 /nfs/dbraw/zinc/20/52/01/266205201.db2.gz PEIYHBPDNDZIOR-MRVPVSSYSA-N 0 0 347.810 2.700 50 0 EFAARN CCOC1CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 ZINC000096150587 273696560 /nfs/dbraw/zinc/69/65/60/273696560.db2.gz FECGJFYKWCWILF-UHFFFAOYSA-N 0 0 325.412 2.965 50 0 EFAARN CN1c2ccccc2S/C1=c1\sc2nc3ccccc3n2c1=O ZINC000035606670 273943542 /nfs/dbraw/zinc/94/35/42/273943542.db2.gz GNBOIULGLGFUEN-PEZBUJJGSA-N 0 0 337.429 2.936 50 0 EFAARN COc1ccc(F)c(CN[C@@H]2CCCc3nc(N(C)C)ncc32)c1 ZINC000012457894 274112453 /nfs/dbraw/zinc/11/24/53/274112453.db2.gz PMQJDRASMUTGSB-MRXNPFEDSA-N 0 0 330.407 2.858 50 0 EFAARN Cc1ccccc1-n1ncc2c3nc(-c4cccnc4)nn3cnc21 ZINC000005304298 274805543 /nfs/dbraw/zinc/80/55/43/274805543.db2.gz JLYGNRSSTOSOED-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN Cc1nc2ccc(C(=O)N[C@H]3COc4ccccc4C3)cc2nc1C ZINC000045848866 274849919 /nfs/dbraw/zinc/84/99/19/274849919.db2.gz IDKTYNGXJXVIGS-MRXNPFEDSA-N 0 0 333.391 2.980 50 0 EFAARN Cc1sc2ncc(C(=O)Nc3ccc(F)cc3F)c(=O)n2c1C ZINC000016648104 274879304 /nfs/dbraw/zinc/87/93/04/274879304.db2.gz TYJSMKMGTRVHJZ-UHFFFAOYSA-N 0 0 335.335 2.903 50 0 EFAARN O=C(c1ccccc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F ZINC000000313525 275014149 /nfs/dbraw/zinc/01/41/49/275014149.db2.gz PQMXMNGTLLOEQV-OAHLLOKOSA-N 0 0 335.285 2.583 50 0 EFAARN O=c1c2cnc3ncnn3c2ccn1-c1cc(Cl)cc(Cl)c1 ZINC000019960517 275043393 /nfs/dbraw/zinc/04/33/93/275043393.db2.gz QTQYJHIBHUTLGE-UHFFFAOYSA-N 0 0 332.150 2.735 50 0 EFAARN C[C@@H]1CCc2sc(C(=O)N(C)C3CCS(=O)(=O)CC3)cc2C1 ZINC000080860058 287832270 /nfs/dbraw/zinc/83/22/70/287832270.db2.gz KBPSCQWOCVYPKZ-LLVKDONJSA-N 0 0 341.498 2.522 50 0 EFAARN CC(C)N1CN=C2N[C@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020101290 275957670 /nfs/dbraw/zinc/95/76/70/275957670.db2.gz VFKXMZQWIJPCIW-SFHVURJKSA-N 0 0 346.438 2.988 50 0 EFAARN CCCc1nc2c3cc4c(nc3sc2c(=O)n1N)CC(C)(C)OC4 ZINC000001061332 276057341 /nfs/dbraw/zinc/05/73/41/276057341.db2.gz HERFGEYYPMDMKL-UHFFFAOYSA-N 0 0 344.440 2.524 50 0 EFAARN CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000091445225 276148530 /nfs/dbraw/zinc/14/85/30/276148530.db2.gz GBAKPGKYIQXSNL-UHFFFAOYSA-N 0 0 347.434 2.760 50 0 EFAARN CCN1CCN(c2ncnc3c4cc(C)c(C)nc4sc32)CC1 ZINC000012324321 276204108 /nfs/dbraw/zinc/20/41/08/276204108.db2.gz GILXDNZLHGULPN-UHFFFAOYSA-N 0 0 327.457 2.998 50 0 EFAARN CCOC(=O)N1CCN(c2ncnc3sc(C)c(CC)c32)CC1 ZINC000065396231 276283586 /nfs/dbraw/zinc/28/35/86/276283586.db2.gz NFERJVUCBZSJKS-UHFFFAOYSA-N 0 0 334.445 2.841 50 0 EFAARN CCCc1oncc1C(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072159001 276296936 /nfs/dbraw/zinc/29/69/36/276296936.db2.gz IMVMUBQALJUYCX-GOSISDBHSA-N 0 0 340.423 2.718 50 0 EFAARN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O ZINC000000044195 276368169 /nfs/dbraw/zinc/36/81/69/276368169.db2.gz HTIIFTCLYXHKSC-MHWRWJLKSA-N 0 0 338.388 2.561 50 0 EFAARN CCOc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O ZINC000004910742 276493729 /nfs/dbraw/zinc/49/37/29/276493729.db2.gz UUXYEVWWLJZMHZ-NSHDSACASA-N 0 0 327.336 2.994 50 0 EFAARN CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040392319 276715769 /nfs/dbraw/zinc/71/57/69/276715769.db2.gz FANWSXYAMSGNKG-UHFFFAOYSA-N 0 0 325.759 2.780 50 0 EFAARN CN(C)c1ncnc2c1N[C@@H](O)c1c(F)c(F)c(F)c(F)c1S2 ZINC000000529578 276907132 /nfs/dbraw/zinc/90/71/32/276907132.db2.gz ARRZIMQDQLGDTA-LBPRGKRZSA-N 0 0 346.309 2.667 50 0 EFAARN CN1c2ccc(S(=O)(=O)N3CCCCCC3)c3cccc(c23)C1=O ZINC000008715474 276991743 /nfs/dbraw/zinc/99/17/43/276991743.db2.gz VINSZYQQSYIPTJ-UHFFFAOYSA-N 0 0 344.436 2.995 50 0 EFAARN COC(=O)c1cccc(I)c1Br ZINC000169796056 277163328 /nfs/dbraw/zinc/16/33/28/277163328.db2.gz JPSAQWAATAFSOK-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN CC(C)(C)NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000019924659 277168587 /nfs/dbraw/zinc/16/85/87/277168587.db2.gz BQQXRPSVROFRFL-UHFFFAOYSA-N 0 0 330.354 2.731 50 0 EFAARN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccccc1C2=O ZINC000091302892 277181751 /nfs/dbraw/zinc/18/17/51/277181751.db2.gz QOOQGSVGCJWBMB-UHFFFAOYSA-N 0 0 330.384 2.839 50 0 EFAARN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000016123844 277183623 /nfs/dbraw/zinc/18/36/23/277183623.db2.gz KRXIEAOYUVMROX-HNNXBMFYSA-N 0 0 334.416 2.755 50 0 EFAARN CN1CCc2ncnc(N3CCO[C@H](c4ccc(Cl)cc4)C3)c2C1 ZINC000065473864 277190015 /nfs/dbraw/zinc/19/00/15/277190015.db2.gz JMCVMHOSPBYMPZ-KRWDZBQOSA-N 0 0 344.846 2.696 50 0 EFAARN CN1CCc2ncnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)c2C1 ZINC000222192543 277190197 /nfs/dbraw/zinc/19/01/97/277190197.db2.gz JMCVMHOSPBYMPZ-QGZVFWFLSA-N 0 0 344.846 2.696 50 0 EFAARN COC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(OC)c2ccccc21 ZINC000000451906 277310828 /nfs/dbraw/zinc/31/08/28/277310828.db2.gz 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/nfs/dbraw/zinc/85/85/04/277858504.db2.gz FERHTRKSWRLRGC-UHFFFAOYSA-N 0 0 339.380 2.645 50 0 EFAARN COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4n[nH]cc43)cc2c1 ZINC000095476460 277940041 /nfs/dbraw/zinc/94/00/41/277940041.db2.gz YVWIUNUAFZNHHD-CQSZACIVSA-N 0 0 342.380 2.684 50 0 EFAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1=C(C)N2CCN=C2S1 ZINC000219908354 277946975 /nfs/dbraw/zinc/94/69/75/277946975.db2.gz KSMZTPYQJJQCFE-HNNXBMFYSA-N 0 0 343.452 2.839 50 0 EFAARN COc1cccc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000075156953 278007620 /nfs/dbraw/zinc/00/76/20/278007620.db2.gz QUDBVXPOSSIEPY-UHFFFAOYSA-N 0 0 342.395 2.570 50 0 EFAARN CC(C)c1cc(C(=O)N2CCCN3C(=O)c4ccccc4[C@H]32)on1 ZINC000097117630 278007867 /nfs/dbraw/zinc/00/78/67/278007867.db2.gz SOQNMIVFGPXMSX-MRXNPFEDSA-N 0 0 325.368 2.799 50 0 EFAARN COc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 ZINC000012162409 278046613 /nfs/dbraw/zinc/04/66/13/278046613.db2.gz TYLRTPDXJFCGFF-NSHDSACASA-N 0 0 326.352 2.691 50 0 EFAARN COc1ccccc1[C@H]1CNC(=O)c2[nH]c(-c3ccncc3)nc2C1 ZINC000065419256 278063202 /nfs/dbraw/zinc/06/32/02/278063202.db2.gz ZRBPYKRRDNLWJP-CYBMUJFWSA-N 0 0 334.379 2.550 50 0 EFAARN CC(=O)N1[C@@H](c2ccccc2)CC(=O)O[C@@H]1c1ccc2c(c1)OCO2 ZINC000000489422 278075277 /nfs/dbraw/zinc/07/52/77/278075277.db2.gz GTCXRHKYOKPUID-DNVCBOLYSA-N 0 0 339.347 2.951 50 0 biogenic EFAARN CC(=O)N[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253500198 278151120 /nfs/dbraw/zinc/15/11/20/278151120.db2.gz ZBHPCFVWCHWDCE-QZBQPBHFSA-N 0 0 347.499 2.786 50 0 biogenic EFAARN CSc1nc2ncc3c(ccn(-c4cc(C)cc(C)c4)c3=O)n2n1 ZINC000030875365 278180057 /nfs/dbraw/zinc/18/00/57/278180057.db2.gz HKUUGYLHDJWEDG-UHFFFAOYSA-N 0 0 337.408 2.767 50 0 EFAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000253614755 278233645 /nfs/dbraw/zinc/23/36/45/278233645.db2.gz AYEXSTRNLGYBSQ-HNSMQSFHSA-N 0 0 348.483 2.889 50 0 EFAARN 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/nfs/dbraw/zinc/95/13/54/278951354.db2.gz JYZYZRRXZTTXKU-UHFFFAOYSA-N 0 0 338.455 2.740 50 0 EFAARN Cc1ccsc1/C=c1\sc2nc(-c3ccc(F)cc3)nn2c1=O ZINC000013749176 278994902 /nfs/dbraw/zinc/99/49/02/278994902.db2.gz NDDQKISTCCROKG-JYRVWZFOSA-N 0 0 343.408 2.875 50 0 EFAARN CC(C)C[C@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000000177398 279072277 /nfs/dbraw/zinc/07/22/77/279072277.db2.gz FCHBLJGYIUWOEU-MRXNPFEDSA-N 0 0 328.412 2.710 50 0 EFAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCc1c(C)nc(=O)[nH]c1C ZINC000220587989 279115646 /nfs/dbraw/zinc/11/56/46/279115646.db2.gz WYBQJNDFUWGQQR-ZDUSSCGKSA-N 0 0 346.456 2.690 50 0 EFAARN Cc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1cccnc1 ZINC000005349105 279120177 /nfs/dbraw/zinc/12/01/77/279120177.db2.gz ZIGRZSFTLGFLKS-HNNXBMFYSA-N 0 0 331.335 2.819 50 0 EFAARN Cc1nc2c3cc4c(nc3sc2c(NCCO)n1)CC(C)(C)OC4 ZINC000002304864 279120575 /nfs/dbraw/zinc/12/05/75/279120575.db2.gz LLYHZDUHZYIERE-UHFFFAOYSA-N 0 0 344.440 2.803 50 0 EFAARN Cc1nc2sccn2c(=O)c1NC(=O)c1ccc2ccccc2n1 ZINC000008931683 279147075 /nfs/dbraw/zinc/14/70/75/279147075.db2.gz HZTZQSDLQITSEH-UHFFFAOYSA-N 0 0 336.376 2.865 50 0 EFAARN Cn1c2cn(C3CCCC3)c(-c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000012407878 279322244 /nfs/dbraw/zinc/32/22/44/279322244.db2.gz KTMBBBBEJISIOK-UHFFFAOYSA-N 0 0 341.386 2.960 50 0 EFAARN Cn1cccc(C(=O)N2CCc3[nH]c4c(cccc4Cl)c3C2)c1=O ZINC000077406603 279366153 /nfs/dbraw/zinc/36/61/53/279366153.db2.gz IHBWKLKGEIFPNZ-UHFFFAOYSA-N 0 0 341.798 2.719 50 0 EFAARN CC(C)[NH+]1CCC(CC(=O)N(C)[C@H](C(=O)[O-])c2cccs2)CC1 ZINC000095509724 279479662 /nfs/dbraw/zinc/47/96/62/279479662.db2.gz YSMKCLCEMFCEGX-INIZCTEOSA-N 0 0 338.473 2.843 50 0 EFAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000002474400 279530178 /nfs/dbraw/zinc/53/01/78/279530178.db2.gz VIZUXHWYDJXQLK-BXUZGUMPSA-N 0 0 330.409 2.898 50 0 EFAARN N=c1c2c(ncn1CCCO)Oc1cc(O)ccc1[C@@H]2c1ccccc1 ZINC000100572962 279556292 /nfs/dbraw/zinc/55/62/92/279556292.db2.gz BLKAFDNEYZHCCO-KRWDZBQOSA-N 0 0 349.390 2.736 50 0 EFAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1ncc[nH]1)n2C(C)C ZINC000082170997 279624302 /nfs/dbraw/zinc/62/43/02/279624302.db2.gz OKUKNDZHGSSDIB-UHFFFAOYSA-N 0 0 347.444 2.694 50 0 EFAARN O=C(NC1(c2cc(F)cc(F)c2)CC1)c1ccc(-n2cnnc2)cc1 ZINC000215214426 279816118 /nfs/dbraw/zinc/81/61/18/279816118.db2.gz IWRZKAVHAUJLGG-UHFFFAOYSA-N 0 0 340.333 2.965 50 0 EFAARN O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(-n2cccc2)cc1 ZINC000253397122 279913367 /nfs/dbraw/zinc/91/33/67/279913367.db2.gz FJRQEOAVMYKQLJ-BPQIPLTHSA-N 0 0 326.396 2.544 50 0 EFAARN O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCCO2 ZINC000000558401 280014717 /nfs/dbraw/zinc/01/47/17/280014717.db2.gz JOJOBFXCJKKBSF-UHFFFAOYSA-N 0 0 335.157 2.868 50 0 EFAARN O=C([O-])c1ccc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc1 ZINC000091725528 280072470 /nfs/dbraw/zinc/07/24/70/280072470.db2.gz DRFQBCSVEJJPEL-SJLPKXTDSA-N 0 0 337.423 2.881 50 0 EFAARN CC(C)[C@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2C1=O ZINC000000044867 280143799 /nfs/dbraw/zinc/14/37/99/280143799.db2.gz WHZXXYYHHHQBQY-MRXNPFEDSA-N 0 0 328.412 2.710 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000016605633 280175784 /nfs/dbraw/zinc/17/57/84/280175784.db2.gz CLQPEZWMMZFTBG-BHTHQVBYSA-N 0 0 337.297 2.928 50 0 EFAARN O=C(c1ccc(N2CCCCC2)cc1)N1CCC2(COC(=O)O2)CC1 ZINC000252504534 280188134 /nfs/dbraw/zinc/18/81/34/280188134.db2.gz VJWBUPYVJJAWDQ-UHFFFAOYSA-N 0 0 344.411 2.819 50 0 EFAARN O=C1CCCN1CC[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000067490300 280251778 /nfs/dbraw/zinc/25/17/78/280251778.db2.gz YGKQPUGUQAJEGZ-HNNXBMFYSA-N 0 0 326.444 2.930 50 0 EFAARN Cc1cc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)n(C)n1 ZINC000013614554 280288841 /nfs/dbraw/zinc/28/88/41/280288841.db2.gz ZALJKJFLIINCRW-UHFFFAOYSA-N 0 0 340.368 2.641 50 0 EFAARN Cc1cc(C)cc(-n2ncc3c4nc([C@@H]5CCCO5)nn4cnc32)c1 ZINC000005301852 280413723 /nfs/dbraw/zinc/41/37/23/280413723.db2.gz KRQHZWLUSVOVRL-HNNXBMFYSA-N 0 0 334.383 2.932 50 0 EFAARN Cc1ccc(-c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3n2)cc1 ZINC000006477820 280729414 /nfs/dbraw/zinc/72/94/14/280729414.db2.gz NBBHKCSTGYSDRQ-XNTDXEJSSA-N 0 0 337.379 2.813 50 0 EFAARN Cc1ccc(N2CC3=C(C2=O)[C@H](c2ccccc2)NC(=O)N3C)cc1 ZINC000000087659 280862583 /nfs/dbraw/zinc/86/25/83/280862583.db2.gz QWDZNXCPJFXKPW-SFHVURJKSA-N 0 0 333.391 2.992 50 0 EFAARN Cc1ccc2c(c1)c1ncnc(N3CCC4(CC3)OCCO4)c1n2C ZINC000002395245 281131007 /nfs/dbraw/zinc/13/10/07/281131007.db2.gz LTTFFLLPNMRFTG-UHFFFAOYSA-N 0 0 338.411 2.773 50 0 EFAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)N2CCCN32)c1 ZINC000101170861 281223950 /nfs/dbraw/zinc/22/39/50/281223950.db2.gz RFTKYPUCCIFEFW-GBESFXJTSA-N 0 0 347.418 2.531 50 0 EFAARN CCc1cc(=O)n(CC(=O)N[C@@H](C)CC)c(-c2ccc(F)cc2)n1 ZINC000057508554 281374741 /nfs/dbraw/zinc/37/47/41/281374741.db2.gz VDEBKYUQLISXEJ-LBPRGKRZSA-N 0 0 331.391 2.527 50 0 EFAARN CC1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2)C1C(=O)OC(C)(C)C ZINC000035147947 281656964 /nfs/dbraw/zinc/65/69/64/281656964.db2.gz OEEWLZZPKDXUIY-ZDUSSCGKSA-N 0 0 347.806 2.957 50 0 EFAARN 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CCSc1nnc(NC(=O)[C@@H](C)SC2=NCCS2)s1 ZINC000004174583 471461274 /nfs/dbraw/zinc/46/12/74/471461274.db2.gz AYEISKYSSPMZRI-ZCFIWIBFSA-N 0 0 334.517 2.813 50 0 EFAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(OC(C)C)cc2)N1 ZINC000004178920 471461819 /nfs/dbraw/zinc/46/18/19/471461819.db2.gz AEZSTCXWSGMDNR-AWEZNQCLSA-N 0 0 330.306 2.947 50 0 EFAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H]1CCSC1=O ZINC000004265299 471462012 /nfs/dbraw/zinc/46/20/12/471462012.db2.gz VFPFSASBZOFDSJ-GFCCVEGCSA-N 0 0 327.833 2.956 50 0 EFAARN CCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S ZINC000004295415 471463134 /nfs/dbraw/zinc/46/31/34/471463134.db2.gz ZTGJWUHGCGIEIZ-UHFFFAOYSA-N 0 0 337.426 2.540 50 0 EFAARN Cc1csc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 ZINC000004373130 471463745 /nfs/dbraw/zinc/46/37/45/471463745.db2.gz JFGACSUMKNDJDX-LBPRGKRZSA-N 0 0 330.413 2.687 50 0 EFAARN C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004359893 471464029 /nfs/dbraw/zinc/46/40/29/471464029.db2.gz FEVQSNMWMBQFQS-HOCLYGCPSA-N 0 0 335.407 2.953 50 0 EFAARN C[C@@H]1CN(c2nc3c(cnn3C)c(NC3CCCCC3)n2)C[C@@H](C)O1 ZINC000004374922 471464104 /nfs/dbraw/zinc/46/41/04/471464104.db2.gz PMWADTFGLDUCML-CHWSQXEVSA-N 0 0 344.463 2.722 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Nc1ccccc1 ZINC000004325108 471464349 /nfs/dbraw/zinc/46/43/49/471464349.db2.gz BGCFXPWRFLVIEJ-UHFFFAOYSA-N 0 0 333.413 2.889 50 0 EFAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004380874 471464422 /nfs/dbraw/zinc/46/44/22/471464422.db2.gz KCACJFWZGHFOBE-MRXNPFEDSA-N 0 0 348.399 2.675 50 0 EFAARN COc1ccc(S(=O)(=O)c2cc3cc(F)ccc3oc2=O)cc1 ZINC000004484170 471465149 /nfs/dbraw/zinc/46/51/49/471465149.db2.gz ZUFBKPLKIVNMPF-UHFFFAOYSA-N 0 0 334.324 2.774 50 0 EFAARN Cc1ccc(-c2noc(CCCC(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000004433832 471465259 /nfs/dbraw/zinc/46/52/59/471465259.db2.gz PYHVAXDXVLOFOZ-OAHLLOKOSA-N 0 0 329.400 2.663 50 0 EFAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCc1ccccn1 ZINC000004412353 471465429 /nfs/dbraw/zinc/46/54/29/471465429.db2.gz 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COc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000005123158 471486944 /nfs/dbraw/zinc/48/69/44/471486944.db2.gz NONWDLHOYDRPLF-CYBMUJFWSA-N 0 0 325.368 2.622 50 0 EFAARN O=c1[nH]c(N(Cc2ccccc2)Cc2ccccc2)nc2nccnc12 ZINC000005127652 471487538 /nfs/dbraw/zinc/48/75/38/471487538.db2.gz QXMISLHRRJDDKY-UHFFFAOYSA-N 0 0 343.390 2.920 50 0 EFAARN COc1ccccc1N1C(=O)C(Cl)=C(NC2CCCCC2)C1=O ZINC000005181823 471489569 /nfs/dbraw/zinc/48/95/69/471489569.db2.gz VKTHEHQJCQSTKZ-UHFFFAOYSA-N 0 0 334.803 2.941 50 0 EFAARN C[C@@H]1CCc2c(sc3nnn(CC(=O)c4cccs4)c(=O)c32)C1 ZINC000005183209 471490487 /nfs/dbraw/zinc/49/04/87/471490487.db2.gz IIRFZRRYZSISNE-SECBINFHSA-N 0 0 345.449 2.922 50 0 EFAARN COc1ccc(N2C[C@H](NC(=O)NC3CCCCCC3)CC2=O)cc1 ZINC000005190958 471490664 /nfs/dbraw/zinc/49/06/64/471490664.db2.gz CNQMDWHEUMCDEM-OAHLLOKOSA-N 0 0 345.443 2.823 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccncc3)ccc12 ZINC000005206317 471491304 /nfs/dbraw/zinc/49/13/04/471491304.db2.gz UFXNANLDGOTZJG-ZDUSSCGKSA-N 0 0 338.363 2.580 50 0 biogenic EFAARN O=C(NCc1ccccc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005195809 471491328 /nfs/dbraw/zinc/49/13/28/471491328.db2.gz NHMMLWFGJBSNDX-OAHLLOKOSA-N 0 0 343.814 2.945 50 0 EFAARN COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000005193881 471491375 /nfs/dbraw/zinc/49/13/75/471491375.db2.gz PHLDPNQOIPLVQE-AWEZNQCLSA-N 0 0 343.358 2.761 50 0 EFAARN O=C(Nc1ccc(F)cc1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000005193863 471491803 /nfs/dbraw/zinc/49/18/03/471491803.db2.gz XNDWNKYRGNGKJS-AWEZNQCLSA-N 0 0 331.322 2.892 50 0 EFAARN CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000005193657 471491876 /nfs/dbraw/zinc/49/18/76/471491876.db2.gz HZAMAPXIUFACAD-HNNXBMFYSA-N 0 0 338.407 2.929 50 0 EFAARN O=C(Nc1ccccc1F)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000005193850 471491929 /nfs/dbraw/zinc/49/19/29/471491929.db2.gz WANNADDMCZKXRH-GFCCVEGCSA-N 0 0 331.322 2.892 50 0 EFAARN COc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005194223 471492008 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C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3cccnc3)nc2N1 ZINC000005267649 471496315 /nfs/dbraw/zinc/49/63/15/471496315.db2.gz WWPNGHMJSFJSQG-DOMZBBRYSA-N 0 0 334.383 2.719 50 0 EFAARN C[C@@H]1CCN2c3ccccc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2C1 ZINC000005274401 471497874 /nfs/dbraw/zinc/49/78/74/471497874.db2.gz KRMAYBGNWGWWGJ-DOMZBBRYSA-N 0 0 329.396 2.670 50 0 EFAARN CC[C@@H](C(=O)Nc1ccc(F)cc1F)n1nnc2ccccc2c1=O ZINC000005302905 471498471 /nfs/dbraw/zinc/49/84/71/471498471.db2.gz OOGAHKIGRCCGQK-HNNXBMFYSA-N 0 0 344.321 2.660 50 0 EFAARN CCOC(=O)Nc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1 ZINC000005315893 471498981 /nfs/dbraw/zinc/49/89/81/471498981.db2.gz ARLRBFMORNEMCY-CYBMUJFWSA-N 0 0 335.278 2.568 50 0 EFAARN Cc1cccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000005314805 471499078 /nfs/dbraw/zinc/49/90/78/471499078.db2.gz UTXDXWXTKXECLT-UHFFFAOYSA-N 0 0 330.409 2.787 50 0 EFAARN Cc1cccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000005339190 471499729 /nfs/dbraw/zinc/49/97/29/471499729.db2.gz 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CCN(CC)c1cc(Cl)nc(Nc2cc(Cl)nc(N)n2)n1 ZINC000005553851 471509587 /nfs/dbraw/zinc/50/95/87/471509587.db2.gz INLVRMWFLAXBIC-UHFFFAOYSA-N 0 0 328.207 2.745 50 0 EFAARN COC(=O)[C@@H](O)[C@@H](Sc1ccccc1N)c1ccc(OC)cc1 ZINC000005570185 471511470 /nfs/dbraw/zinc/51/14/70/471511470.db2.gz MPWGGMIUPWSNEV-HOTGVXAUSA-N 0 0 333.409 2.645 50 0 EFAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1CCCO ZINC000005574919 471511571 /nfs/dbraw/zinc/51/15/71/471511571.db2.gz ZKLMIBJHDUKUJK-QGZVFWFLSA-N 0 0 335.359 2.721 50 0 EFAARN CC(=O)c1c(COC(=O)c2ccc(C)cc2)nc2ccccc2[n+]1[O-] ZINC000005561419 471511682 /nfs/dbraw/zinc/51/16/82/471511682.db2.gz GGKWEJYJEZUJHW-UHFFFAOYSA-N 0 0 336.347 2.736 50 0 EFAARN CCOc1cc(C(=O)NCCCOC)cc(OCC)c1OCC ZINC000005592974 471511886 /nfs/dbraw/zinc/51/18/86/471511886.db2.gz NGDNVYSBHNCOPW-UHFFFAOYSA-N 0 0 325.405 2.649 50 0 EFAARN Cc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)cc1 ZINC000005577530 471512185 /nfs/dbraw/zinc/51/21/85/471512185.db2.gz HGWCCRGOVIYNQI-IBGZPJMESA-N 0 0 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471722879 /nfs/dbraw/zinc/72/28/79/471722879.db2.gz AQRSYQGXXCPSMO-HNNXBMFYSA-N 0 0 326.396 2.758 50 0 EFAARN COc1ccccc1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000009887785 471723171 /nfs/dbraw/zinc/72/31/71/471723171.db2.gz SGERIEMRECXZKH-UHFFFAOYSA-N 0 0 331.368 2.651 50 0 EFAARN CCNC(=O)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 ZINC000009925626 471724001 /nfs/dbraw/zinc/72/40/01/471724001.db2.gz IBSRNXGXWRKCRB-NSHDSACASA-N 0 0 328.206 2.757 50 0 EFAARN CCN1C(=O)Cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 ZINC000010063712 471727010 /nfs/dbraw/zinc/72/70/10/471727010.db2.gz BXZDGHJTRDMTCQ-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000010287967 471732578 /nfs/dbraw/zinc/73/25/78/471732578.db2.gz VYBZUXZWHPTNRX-GFCCVEGCSA-N 0 0 348.424 2.764 50 0 EFAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000010302206 471732657 /nfs/dbraw/zinc/73/26/57/471732657.db2.gz NNBFPEXWPNZGPA-HNNXBMFYSA-N 0 0 338.473 2.810 50 0 EFAARN 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ZTOKUZAZOBFCIA-UHFFFAOYSA-N 0 0 331.738 2.894 50 0 EFAARN O=C(c1cccc(-n2cccc2)c1)N1CCN(c2ccccn2)CC1 ZINC000016638538 471945406 /nfs/dbraw/zinc/94/54/06/471945406.db2.gz TXNADXHNFOSFDO-UHFFFAOYSA-N 0 0 332.407 2.835 50 0 EFAARN CSc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000016650356 471946241 /nfs/dbraw/zinc/94/62/41/471946241.db2.gz WJAJRIMFUUVZDU-CHWSQXEVSA-N 0 0 344.436 2.688 50 0 EFAARN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2CC ZINC000016649902 471946443 /nfs/dbraw/zinc/94/64/43/471946443.db2.gz CVBCPCKWMOACJB-UHFFFAOYSA-N 0 0 330.432 2.627 50 0 EFAARN CCc1ccc(NC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1 ZINC000016650800 471946490 /nfs/dbraw/zinc/94/64/90/471946490.db2.gz NMHCBGYJIMMWPP-UHFFFAOYSA-N 0 0 337.383 2.673 50 0 EFAARN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCc2ccccc2C1 ZINC000016650531 471946677 /nfs/dbraw/zinc/94/66/77/471946677.db2.gz GYEWLVQPMTUFRA-MRXNPFEDSA-N 0 0 338.382 2.764 50 0 EFAARN S=C1N=NC(CN2CCSCC2)N1c1ccc(Cl)cc1 ZINC000016671582 471947794 /nfs/dbraw/zinc/94/77/94/471947794.db2.gz QSDIESMCZVZVRX-UHFFFAOYSA-N 0 0 326.878 2.758 50 0 EFAARN COc1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c(OC)cc1C ZINC000016780215 471949828 /nfs/dbraw/zinc/94/98/28/471949828.db2.gz WOOWVJIJSGCCIZ-TXEJJXNPSA-N 0 0 327.446 2.679 50 0 EFAARN COCc1nc2ccccc2n1C[C@@H](O)COc1cccc(C)c1 ZINC000016903759 471952178 /nfs/dbraw/zinc/95/21/78/471952178.db2.gz JHBWKKHKQQYURE-OAHLLOKOSA-N 0 0 326.396 2.931 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)CCCCCC(=O)NC(C)C)cc1 ZINC000017043661 471953001 /nfs/dbraw/zinc/95/30/01/471953001.db2.gz JPHKHABOPPRDDA-UHFFFAOYSA-N 0 0 340.489 2.701 50 0 EFAARN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(OCC)c1 ZINC000017067213 471954397 /nfs/dbraw/zinc/95/43/97/471954397.db2.gz MHYJXJXIZFSXTK-UHFFFAOYSA-N 0 0 328.368 2.835 50 0 EFAARN CCn1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cn1 ZINC000017071416 471955225 /nfs/dbraw/zinc/95/52/25/471955225.db2.gz ALFMQAKXMCNORD-UHFFFAOYSA-N 0 0 341.436 2.971 50 0 EFAARN COc1ccccc1OCc1nn2c(nc3ccccc3c2=O)s1 ZINC000017071093 471955407 /nfs/dbraw/zinc/95/54/07/471955407.db2.gz RJEMDBALMITOGJ-UHFFFAOYSA-N 0 0 339.376 2.892 50 0 EFAARN Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 ZINC000017072427 471956052 /nfs/dbraw/zinc/95/60/52/471956052.db2.gz LVJQHDBBOYEODP-UHFFFAOYSA-N 0 0 348.468 2.711 50 0 EFAARN Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1 ZINC000017251198 471958647 /nfs/dbraw/zinc/95/86/47/471958647.db2.gz GONUUGSZCSXHGE-UHFFFAOYSA-N 0 0 332.411 2.756 50 0 EFAARN CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc21 ZINC000017288972 471959778 /nfs/dbraw/zinc/95/97/78/471959778.db2.gz WPOFVPHTAIITNR-UHFFFAOYSA-N 0 0 348.399 2.844 50 0 EFAARN CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000017289001 471960113 /nfs/dbraw/zinc/96/01/13/471960113.db2.gz PCUYPEBSVOLLEU-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1 ZINC000018054328 471967940 /nfs/dbraw/zinc/96/79/40/471967940.db2.gz RWSSLTJLGPDLRX-UHFFFAOYSA-N 0 0 341.396 2.606 50 0 EFAARN CCCOc1ccccc1[C@H]1NC(=S)N=C(C)C1C(=O)OCC 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O=C1c2cccc3cccc(c32)C(=O)N1CCCSc1nc[nH]n1 ZINC000018213309 471972180 /nfs/dbraw/zinc/97/21/80/471972180.db2.gz ACUPQPGUHKDMKN-UHFFFAOYSA-N 0 0 338.392 2.736 50 0 EFAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000018188912 471972204 /nfs/dbraw/zinc/97/22/04/471972204.db2.gz RLTHKSGARBYDSC-UHFFFAOYSA-N 0 0 325.393 2.962 50 0 biogenic,in-vitro EFAARN Cc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000018214135 471972562 /nfs/dbraw/zinc/97/25/62/471972562.db2.gz AWAZGQLHRWSXNN-UHFFFAOYSA-N 0 0 338.451 2.686 50 0 EFAARN COc1ccc2nc(Nc3nc(C(C)C)cc(=O)[nH]3)nc(C)c2c1 ZINC000018222660 471973328 /nfs/dbraw/zinc/97/33/28/471973328.db2.gz QVRQJJHIMBSHAR-UHFFFAOYSA-N 0 0 325.372 2.897 50 0 EFAARN C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1cccc2ccccc21 ZINC000018219289 471973547 /nfs/dbraw/zinc/97/35/47/471973547.db2.gz USYJAOORALYPOL-SNVBAGLBSA-N 0 0 340.408 2.625 50 0 EFAARN O=C(NN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000018244608 471974695 /nfs/dbraw/zinc/97/46/95/471974695.db2.gz SUSZGVYSZDCKOU-UWVGGRQHSA-N 0 0 341.194 2.813 50 0 EFAARN COc1ccc(CSc2nc(C)cc(N3CCOCC3)n2)cc1 ZINC000019074857 471976645 /nfs/dbraw/zinc/97/66/45/471976645.db2.gz JGOCCUCVMLMEKE-UHFFFAOYSA-N 0 0 331.441 2.923 50 0 EFAARN COc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(Cc4cccnc4)C3)n2)cc1 ZINC000019146931 471977272 /nfs/dbraw/zinc/97/72/72/471977272.db2.gz MRUGGAJTDBYXAH-MRXNPFEDSA-N 0 0 348.406 2.996 50 0 EFAARN CCOC(=O)[C@@]1(CC)CN2CCc3c4ccccc4[nH]c3[C@@H]2CC1=O ZINC000019799640 471984184 /nfs/dbraw/zinc/98/41/84/471984184.db2.gz YXJUDMSYJDYTFZ-JXFKEZNVSA-N 0 0 340.423 2.999 50 0 EFAARN O=C1NC(=S)NC1=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000019848461 471984896 /nfs/dbraw/zinc/98/48/96/471984896.db2.gz SRCXTVRNQQWNBY-RVDMUPIBSA-N 0 0 338.436 2.982 50 0 EFAARN O=c1oc2cc(Cl)c(Cl)c(Cl)c2n1CN1CCOCC1 ZINC000019925169 471985249 /nfs/dbraw/zinc/98/52/49/471985249.db2.gz WGIPTHISEIVFHP-UHFFFAOYSA-N 0 0 337.590 2.844 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1OC ZINC000019898728 471986024 /nfs/dbraw/zinc/98/60/24/471986024.db2.gz MQAVIVLHVOCQIP-HNNXBMFYSA-N 0 0 346.408 2.518 50 0 EFAARN O=C(c1cc(N2CCCCC2)nc2ccccc21)N1CCOCC1 ZINC000020024858 471986954 /nfs/dbraw/zinc/98/69/54/471986954.db2.gz PEBPSGPUSMTISJ-UHFFFAOYSA-N 0 0 325.412 2.698 50 0 EFAARN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccco3)o2)cc1OC ZINC000035586271 471995979 /nfs/dbraw/zinc/99/59/79/471995979.db2.gz XCDAGKVVCPOQNA-SOFGYWHQSA-N 0 0 341.323 2.999 50 0 EFAARN CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000035597575 471996495 /nfs/dbraw/zinc/99/64/95/471996495.db2.gz QLBKTHKRCMPTOD-UHFFFAOYSA-N 0 0 340.426 2.504 50 0 EFAARN O=C(C1CC1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596894 471996891 /nfs/dbraw/zinc/99/68/91/471996891.db2.gz HXMZPSJQYAUDHF-ZDUSSCGKSA-N 0 0 341.367 2.581 50 0 EFAARN COc1ccc(-c2noc([C@@H](N)Cc3ccccc3)n2)cc1OC ZINC000035533497 471997022 /nfs/dbraw/zinc/99/70/22/471997022.db2.gz XHOCKURLTQBLGK-AWEZNQCLSA-N 0 0 325.368 2.996 50 0 biogenic EFAARN CCCCCCOC(=O)[C@@H]1CN1[C@@H](Cc1ccccc1)C(=O)OCC ZINC000036246829 472000114 /nfs/dbraw/zinc/00/01/14/472000114.db2.gz MXCHQFBWHCWGRT-GAOSQQNJSA-N 0 0 347.455 2.969 50 0 EFAARN CCCCCCOC(=O)[C@H]1CN1[C@@H](Cc1ccccc1)C(=O)OCC ZINC000036246831 472001039 /nfs/dbraw/zinc/00/10/39/472001039.db2.gz MXCHQFBWHCWGRT-GARIHTGFSA-N 0 0 347.455 2.969 50 0 EFAARN NC(=O)c1csc(NC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000036709088 472004169 /nfs/dbraw/zinc/00/41/69/472004169.db2.gz PUBADNMJDABTKM-UHFFFAOYSA-N 0 0 330.291 2.905 50 0 EFAARN COC(=O)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 ZINC000036689007 472004175 /nfs/dbraw/zinc/00/41/75/472004175.db2.gz WWOZYMBBCSUIKW-UHFFFAOYSA-N 0 0 340.364 2.639 50 0 EFAARN CCC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 ZINC000021793880 472004656 /nfs/dbraw/zinc/00/46/56/472004656.db2.gz MUUHHZAXCGXNRR-UHFFFAOYSA-N 0 0 339.443 2.896 50 0 EFAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)nnn1Cc1ccccc1 ZINC000067240057 472009521 /nfs/dbraw/zinc/00/95/21/472009521.db2.gz VEFZCWSAFLHOLK-UHFFFAOYSA-N 0 0 327.775 2.814 50 0 EFAARN Cc1cc(-n2cc(C(=O)NCc3ccc(F)cc3F)nn2)ccc1F ZINC000067261984 472010472 /nfs/dbraw/zinc/01/04/72/472010472.db2.gz KRQGSNVEXVGSEW-UHFFFAOYSA-N 0 0 346.312 2.923 50 0 EFAARN Cc1ccc(-n2cc(C(=O)NCc3cc(F)cc(F)c3)nn2)cc1 ZINC000067261833 472010479 /nfs/dbraw/zinc/01/04/79/472010479.db2.gz RCXKZVXIRVWDMG-UHFFFAOYSA-N 0 0 328.322 2.784 50 0 EFAARN C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000053495084 472014480 /nfs/dbraw/zinc/01/44/80/472014480.db2.gz WUDAATVISCHTDI-ZBFHGGJFSA-N 0 0 332.419 2.936 50 0 EFAARN COc1ccccc1CNC(=O)c1[nH]nnc1Nc1ccccc1F ZINC000067283735 472015637 /nfs/dbraw/zinc/01/56/37/472015637.db2.gz PVSSKGSVIZLZRR-UHFFFAOYSA-N 0 0 341.346 2.626 50 0 EFAARN O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccccc1F ZINC000038679759 472020097 /nfs/dbraw/zinc/02/00/97/472020097.db2.gz DHVPLLUCLFXTFE-STQMWFEESA-N 0 0 336.388 2.562 50 0 EFAARN COC(=O)C(=CNc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000067340331 472020957 /nfs/dbraw/zinc/02/09/57/472020957.db2.gz NAQSIFCHYAWMPF-FOWTUZBSSA-N 0 0 347.392 2.595 50 0 EFAARN CC[C@@H](C(=O)Nc1cccnc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000067338740 472021170 /nfs/dbraw/zinc/02/11/70/472021170.db2.gz DGFMLOUXPNDBIG-INIZCTEOSA-N 0 0 347.440 2.573 50 0 EFAARN C[C@H](c1ccc(Cl)cc1)n1ccc2c(cnc3ncnn32)c1=O ZINC000038784269 472021106 /nfs/dbraw/zinc/02/11/06/472021106.db2.gz YFGJYRCTGOYPTM-SNVBAGLBSA-N 0 0 325.759 2.702 50 0 EFAARN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000067339046 472021433 /nfs/dbraw/zinc/02/14/33/472021433.db2.gz ABWNENUNMMEJQY-UHFFFAOYSA-N 0 0 348.399 2.543 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2ccnc2)cc1 ZINC000038853802 472022547 /nfs/dbraw/zinc/02/25/47/472022547.db2.gz UEBFIWNWGOYWDR-UHFFFAOYSA-N 0 0 335.363 2.955 50 0 EFAARN CN(C)c1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1 ZINC000039389217 472023316 /nfs/dbraw/zinc/02/33/16/472023316.db2.gz DEHZXQFXRVUPIK-UHFFFAOYSA-N 0 0 342.472 2.905 50 0 EFAARN COc1ccc(-n2cc(C(=O)NCc3ccc(Cl)cc3)nn2)cc1 ZINC000039643950 472025338 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474569581 /nfs/dbraw/zinc/56/95/81/474569581.db2.gz HNNOPMMYLBAZKZ-UHFFFAOYSA-N 0 0 342.468 2.843 50 0 EFAARN C[C@H](Oc1ccccc1)C(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 ZINC000244983867 474569700 /nfs/dbraw/zinc/56/97/00/474569700.db2.gz IUNZWNWHSZIVRY-LIRRHRJNSA-N 0 0 338.407 2.795 50 0 EFAARN COc1ccc(OC)c([C@H](C)Nc2ccc(C(=O)N(C)C)cn2)c1 ZINC000267175338 474609489 /nfs/dbraw/zinc/60/94/89/474609489.db2.gz DBXSXQOASURWLJ-LBPRGKRZSA-N 0 0 329.400 2.974 50 0 EFAARN CCCc1noc(CN(C)Cc2cc(C(N)=O)oc2C(C)(C)C)n1 ZINC000252478144 474664304 /nfs/dbraw/zinc/66/43/04/474664304.db2.gz AEFQTBZGECUPFA-UHFFFAOYSA-N 0 0 334.420 2.644 50 0 EFAARN COCCN(CC(=O)Nc1ccc(C)c(F)c1)Cc1nccs1 ZINC000252483720 474668894 /nfs/dbraw/zinc/66/88/94/474668894.db2.gz FHIDISWKFVKBNM-UHFFFAOYSA-N 0 0 337.420 2.678 50 0 EFAARN Cc1cc(-n2cnnc2)ncc1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000252483592 474669292 /nfs/dbraw/zinc/66/92/92/474669292.db2.gz FFSJOMZHQPQMDB-HNNXBMFYSA-N 0 0 333.395 2.566 50 0 EFAARN CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCCc2nc(C)cs2)c1C ZINC000252483503 474669636 /nfs/dbraw/zinc/66/96/36/474669636.db2.gz FCSYGRAIHYAKML-NSHDSACASA-N 0 0 348.472 2.777 50 0 EFAARN Cc1ccccc1OCC(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 ZINC000252484194 474670284 /nfs/dbraw/zinc/67/02/84/474670284.db2.gz FRBPFVCLDAAUNC-GOSISDBHSA-N 0 0 338.407 2.715 50 0 EFAARN Cc1csc(NC(=O)[C@@H](C)N2CCC(CCn3cccn3)CC2)n1 ZINC000252488629 474674845 /nfs/dbraw/zinc/67/48/45/474674845.db2.gz IVUWVXGQXRFVTG-CQSZACIVSA-N 0 0 347.488 2.777 50 0 EFAARN CN(CC(=O)NCc1cccs1)Cc1cc(-c2cccs2)n[nH]1 ZINC000252488525 474675471 /nfs/dbraw/zinc/67/54/71/474675471.db2.gz IUEVCSIUKXRALU-UHFFFAOYSA-N 0 0 346.481 2.948 50 0 EFAARN COc1c[nH]c(CN(C)Cc2cnn(-c3cccc(C)c3)c2)cc1=O ZINC000252490748 474676806 /nfs/dbraw/zinc/67/68/06/474676806.db2.gz LACRARSGUSTWJZ-UHFFFAOYSA-N 0 0 338.411 2.922 50 0 EFAARN O=C(NCCc1cccs1)c1ccc(OCC2CCOCC2)nc1 ZINC000252505693 474683251 /nfs/dbraw/zinc/68/32/51/474683251.db2.gz VSRZNQNVSYTTKS-UHFFFAOYSA-N 0 0 346.452 2.921 50 0 EFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N(Cc1nccs1)C1CC1 ZINC000252506913 474685128 /nfs/dbraw/zinc/68/51/28/474685128.db2.gz WDCOFKUMPRRDIQ-LLVKDONJSA-N 0 0 346.408 2.830 50 0 EFAARN CC(C)NC(=O)c1ccnc(CC[C@@H]2COc3ccccc3O2)c1 ZINC000252508540 474686766 /nfs/dbraw/zinc/68/67/66/474686766.db2.gz XOTXZNXWYXYZMA-MRXNPFEDSA-N 0 0 326.396 2.992 50 0 EFAARN O=C([O-])COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000252510099 474687823 /nfs/dbraw/zinc/68/78/23/474687823.db2.gz ZBKGSCAUOPJTOE-GFCCVEGCSA-N 0 0 349.818 2.906 50 0 EFAARN Cc1ccc2oc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)cc2c1 ZINC000252522889 474693229 /nfs/dbraw/zinc/69/32/29/474693229.db2.gz BIZIJFSSWDWGHW-DDUZABMNSA-N 0 0 339.395 2.717 50 0 EFAARN COc1cccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1 ZINC000252536008 474693653 /nfs/dbraw/zinc/69/36/53/474693653.db2.gz HKZINAYDFWPRDK-BJLQDIEVSA-N 0 0 339.435 2.736 50 0 EFAARN CCc1cc(C(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@H](O)C2)cs1 ZINC000252523149 474694074 /nfs/dbraw/zinc/69/40/74/474694074.db2.gz BZEOCHPVCWCFTD-JDFRZJQESA-N 0 0 346.452 2.956 50 0 EFAARN Cc1nc2sccc2c(N[C@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)n1 ZINC000252527908 474694214 /nfs/dbraw/zinc/69/42/14/474694214.db2.gz DQDFMIMCDZYAMW-JKOKRWQUSA-N 0 0 329.429 2.657 50 0 EFAARN O=C(CCc1ccccc1F)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000252549833 474696188 /nfs/dbraw/zinc/69/61/88/474696188.db2.gz RVGJWYIQFXCMLZ-ZIFCJYIRSA-N 0 0 342.414 2.652 50 0 EFAARN COc1ccc([C@H](NC(=O)c2cc(C)ccc2C)[C@H]2C[C@@H](O)C2)cn1 ZINC000252553135 474698022 /nfs/dbraw/zinc/69/80/22/474698022.db2.gz VGJFOOFRVQSION-FCEWJHQRSA-N 0 0 340.423 2.949 50 0 EFAARN Cc1cc(-c2noc(CNC(=O)/C=C\c3cc(F)ccc3F)n2)no1 ZINC000252553163 474698092 /nfs/dbraw/zinc/69/80/92/474698092.db2.gz VGUXNKLHBXSTCE-DJWKRKHSSA-N 0 0 346.293 2.641 50 0 EFAARN Cc1cccn2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)nc12 ZINC000252552480 474698447 /nfs/dbraw/zinc/69/84/47/474698447.db2.gz UTACSEBRDDLNOX-BZSNNMDCSA-N 0 0 349.434 2.755 50 0 EFAARN Cc1nccc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 ZINC000253378450 474729922 /nfs/dbraw/zinc/72/99/22/474729922.db2.gz FGMZYJLHKQJJOU-GMBSWORKSA-N 0 0 348.406 2.575 50 0 EFAARN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3c(C)nsc3C)C2)n1 ZINC000292955608 474734386 /nfs/dbraw/zinc/73/43/86/474734386.db2.gz YTBKBLBDKNRIDB-CQSZACIVSA-N 0 0 333.461 2.521 50 0 EFAARN CC(C)n1ccc2c1cccc2OCC(=O)NCCc1c[nH]cn1 ZINC000253407363 474739805 /nfs/dbraw/zinc/73/98/05/474739805.db2.gz JUHICCUKEAKNRQ-UHFFFAOYSA-N 0 0 326.400 2.683 50 0 biogenic EFAARN CC(C)c1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1 ZINC000253412102 474740577 /nfs/dbraw/zinc/74/05/77/474740577.db2.gz PWTIUWDTDFPONY-UHFFFAOYSA-N 0 0 334.445 2.998 50 0 EFAARN O=C(CSCc1ccccc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000253473111 474759096 /nfs/dbraw/zinc/75/90/96/474759096.db2.gz RKTAKHCKDWZAEV-KRWDZBQOSA-N 0 0 328.437 2.995 50 0 EFAARN CCc1ncnc(O[C@H]2CCN(C(=O)/C=C/c3cccs3)C2)c1F ZINC000253473013 474759647 /nfs/dbraw/zinc/75/96/47/474759647.db2.gz QZAFRFDPYKZQMR-FYJFLYSWSA-N 0 0 347.415 2.933 50 0 EFAARN O=C(/C=C/c1ccco1)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000253474472 474760916 /nfs/dbraw/zinc/76/09/16/474760916.db2.gz GOXUMITUZLSYMV-RTRPANQVSA-N 0 0 329.377 3.000 50 0 EFAARN C/C(=C\c1ccccc1)C(=O)N1CCN(Cc2cnoc2C)CC1 ZINC000253474908 474761104 /nfs/dbraw/zinc/76/11/04/474761104.db2.gz LTMHXGSYPCKBRS-NTCAYCPXSA-N 0 0 325.412 2.731 50 0 EFAARN O=C(/C=C/c1ccco1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000253474883 474761624 /nfs/dbraw/zinc/76/16/24/474761624.db2.gz LMZXNROAPNBQMC-NWALNABHSA-N 0 0 327.262 2.711 50 0 EFAARN CN(C(=O)Cc1ccon1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000331689866 475378841 /nfs/dbraw/zinc/37/88/41/475378841.db2.gz WRDZCFBSVOEFRZ-HIFRSBDPSA-N 0 0 341.194 2.641 50 0 EFAARN O=C([C@H]1CCc2ccccc21)N1CCCN(c2nccs2)CC1 ZINC000354888791 475493647 /nfs/dbraw/zinc/49/36/47/475493647.db2.gz PYADWQMRTMAEPN-INIZCTEOSA-N 0 0 327.453 2.912 50 0 EFAARN CN(C(=O)CCc1nc(-c2ccco2)no1)C1Cc2ccccc2C1 ZINC000346948440 475983389 /nfs/dbraw/zinc/98/33/89/475983389.db2.gz IPLFMMIBPKVJSU-UHFFFAOYSA-N 0 0 337.379 2.888 50 0 EFAARN COc1ncc(-c2nc(-c3cccc(Br)c3)no2)cn1 ZINC000349875188 476013265 /nfs/dbraw/zinc/01/32/65/476013265.db2.gz CUYCMTFQRLSIRB-UHFFFAOYSA-N 0 0 333.145 2.965 50 0 EFAARN C[C@@H](C(=O)NCc1nncn1C1CCCCC1)n1cc(Cl)cn1 ZINC000299755023 476151911 /nfs/dbraw/zinc/15/19/11/476151911.db2.gz ABRANSNLEQXVID-NSHDSACASA-N 0 0 336.827 2.511 50 0 EFAARN CC(C)[C@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 ZINC000299773676 476152801 /nfs/dbraw/zinc/15/28/01/476152801.db2.gz FDQNHYJLASYUOT-SFHVURJKSA-N 0 0 345.487 2.930 50 0 EFAARN CC(C)c1nnsc1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000299764661 476152892 /nfs/dbraw/zinc/15/28/92/476152892.db2.gz CFUMYFGVZKQSHX-HNNXBMFYSA-N 0 0 344.484 2.942 50 0 EFAARN O=C(Nc1c(F)cccc1F)NC1CCN(c2cnccn2)CC1 ZINC000299770061 476152971 /nfs/dbraw/zinc/15/29/71/476152971.db2.gz QFNXCAQNLBGAQP-UHFFFAOYSA-N 0 0 333.342 2.545 50 0 EFAARN CCn1ccc(C(=O)N[C@@H](C)c2nc3c(s2)CCCC3)cc1=O ZINC000299769874 476153414 /nfs/dbraw/zinc/15/34/14/476153414.db2.gz NXWGULYYTFJLMP-NSHDSACASA-N 0 0 331.441 2.695 50 0 EFAARN Cc1cc(C)n(CC2(CNc3cc([C@@H]4CCOC4)nc(C)n3)CC2)n1 ZINC000299774497 476154323 /nfs/dbraw/zinc/15/43/23/476154323.db2.gz JPUDXTOVWVLWNE-MRXNPFEDSA-N 0 0 341.459 2.995 50 0 EFAARN Cn1cccc1C(=O)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000362751473 476386812 /nfs/dbraw/zinc/38/68/12/476386812.db2.gz GVCODHBRSFDRHN-UHFFFAOYSA-N 0 0 347.418 2.874 50 0 EFAARN Cc1ccc2[nH]c(CNC(=O)[C@@H]3CCCN(c4ccccn4)C3)nc2c1 ZINC000369886741 476574883 /nfs/dbraw/zinc/57/48/83/476574883.db2.gz GTIAMRSXNUHNJJ-OAHLLOKOSA-N 0 0 349.438 2.799 50 0 EFAARN COc1cccc(C(=O)NCCn2nc(-c3cccnc3)cc2C)c1 ZINC000390827036 476800655 /nfs/dbraw/zinc/80/06/55/476800655.db2.gz SOEPHPCRUJSODD-UHFFFAOYSA-N 0 0 336.395 2.692 50 0 EFAARN Cc1cc(-c2cccnc2)nn1CCNC(=O)c1cccc(N(C)C)c1 ZINC000390826918 476801100 /nfs/dbraw/zinc/80/11/00/476801100.db2.gz RJBSYOTVMDGBMJ-UHFFFAOYSA-N 0 0 349.438 2.750 50 0 EFAARN Cc1cccc(NC(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)c1 ZINC000390829901 476801700 /nfs/dbraw/zinc/80/17/00/476801700.db2.gz HJPIPCVZJICWSN-UHFFFAOYSA-N 0 0 346.412 2.770 50 0 EFAARN Cc1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1-n1cnnn1 ZINC000390828692 476801837 /nfs/dbraw/zinc/80/18/37/476801837.db2.gz SXVIMENBIVJQQV-KRWDZBQOSA-N 0 0 348.410 2.733 50 0 biogenic EFAARN CC(C)Oc1ccc(C(=O)NCc2nccnc2-c2ccco2)cn1 ZINC000390831481 476802930 /nfs/dbraw/zinc/80/29/30/476802930.db2.gz SCGCQVOOMOETDS-UHFFFAOYSA-N 0 0 338.367 2.849 50 0 EFAARN CN1c2ccc(NC(=O)Nc3cccs3)cc2N(C)S1(=O)=O ZINC000390830770 476803171 /nfs/dbraw/zinc/80/31/71/476803171.db2.gz NFDODRKNVMZCNX-UHFFFAOYSA-N 0 0 338.414 2.523 50 0 EFAARN Cc1cc(=O)c(OCC(=O)Nc2ccc3c(C)cc(=O)[nH]c3c2)co1 ZINC000409413976 476984211 /nfs/dbraw/zinc/98/42/11/476984211.db2.gz MHRZXQIUSGTBPW-UHFFFAOYSA-N 0 0 340.335 2.528 50 0 EFAARN O=C(c1ccco1)N1CCCN(c2noc(-c3ccccc3)n2)CC1 ZINC000376912270 477561648 /nfs/dbraw/zinc/56/16/48/477561648.db2.gz SKYUZILUJZSLHZ-UHFFFAOYSA-N 0 0 338.367 2.682 50 0 EFAARN CC(=O)c1ncc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)s1 ZINC000413198959 477565985 /nfs/dbraw/zinc/56/59/85/477565985.db2.gz QUQWPZBVGDCIRI-UHFFFAOYSA-N 0 0 331.397 2.736 50 0 EFAARN CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 ZINC000426360114 477707529 /nfs/dbraw/zinc/70/75/29/477707529.db2.gz HRHPOGLPBXOJAH-KRWDZBQOSA-N 0 0 340.427 2.757 50 0 EFAARN Cc1nc(N)nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)c1Cl ZINC000426395956 477707550 /nfs/dbraw/zinc/70/75/50/477707550.db2.gz NEKQYLOUPYKSIO-GFCCVEGCSA-N 0 0 332.835 3.081 50 0 EFAARN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccnn1C)CC(C)(C)O2 ZINC000426380180 477707602 /nfs/dbraw/zinc/70/76/02/477707602.db2.gz WRWMTKRLXZXPAN-INIZCTEOSA-N 0 0 343.427 2.780 50 0 EFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccc(-c2cncn2C)c1 ZINC000426434593 477709333 /nfs/dbraw/zinc/70/93/33/477709333.db2.gz XBFJRPQQMACXOB-UHFFFAOYSA-N 0 0 337.427 2.742 50 0 EFAARN CCSCCNC(=O)N1CCN(c2ccccc2OC)C[C@H]1C ZINC000426442007 477709919 /nfs/dbraw/zinc/70/99/19/477709919.db2.gz SQWUOADLICIRKQ-CQSZACIVSA-N 0 0 337.489 2.668 50 0 EFAARN Cn1c2c(cc(C(=O)N[C@H]3CCc4ccccc4C3)c1=O)CCCC2 ZINC000426444447 477711027 /nfs/dbraw/zinc/71/10/27/477711027.db2.gz FFWIELOTXLEOEK-KRWDZBQOSA-N 0 0 336.435 2.551 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(N(C)C)c3)[C@H]2C1 ZINC000426515502 477712416 /nfs/dbraw/zinc/71/24/16/477712416.db2.gz JSMKQOMZSSBOOL-JENIJYKNSA-N 0 0 332.444 2.551 50 0 EFAARN Cc1cc(C(F)(F)F)n2ncc(C(=O)N(C)Cc3ccoc3)c2n1 ZINC000426521508 477713211 /nfs/dbraw/zinc/71/32/11/477713211.db2.gz SBTKIMVFVSDCIN-UHFFFAOYSA-N 0 0 338.289 2.922 50 0 EFAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cccc(-c3ncccc3N)c2)n1 ZINC000426521237 477714370 /nfs/dbraw/zinc/71/43/70/477714370.db2.gz MMHTXFFULVWUAG-CQSZACIVSA-N 0 0 349.438 2.963 50 0 EFAARN CCc1noc(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)n1 ZINC000426535952 477716766 /nfs/dbraw/zinc/71/67/66/477716766.db2.gz UYCLNFMBBOBVIP-RLFYNMQTSA-N 0 0 335.448 2.571 50 0 EFAARN O=C(NCc1nc2ccccc2s1)N1CCC[C@H](c2ncon2)C1 ZINC000426535082 477716956 /nfs/dbraw/zinc/71/69/56/477716956.db2.gz GUPLXXHKHOEJHF-NSHDSACASA-N 0 0 343.412 2.769 50 0 EFAARN Cn1cc(SCC(=O)NCCCc2ncc[nH]2)c2ccccc21 ZINC000426536498 477716965 /nfs/dbraw/zinc/71/69/65/477716965.db2.gz PJAJZJUXKXQQMV-UHFFFAOYSA-N 0 0 328.441 2.743 50 0 EFAARN COCC[C@@H]1CCCCN1C(=O)NCCc1nc(C)c(C)s1 ZINC000426538402 477717310 /nfs/dbraw/zinc/71/73/10/477717310.db2.gz PQKYAVROYNPXHH-AWEZNQCLSA-N 0 0 325.478 2.903 50 0 EFAARN CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)nc3C)cc2)C1 ZINC000426544539 477718770 /nfs/dbraw/zinc/71/87/70/477718770.db2.gz WSSFDSRAYRWBOO-SFHVURJKSA-N 0 0 337.423 2.716 50 0 EFAARN COc1cccc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)c1 ZINC000426545406 477719354 /nfs/dbraw/zinc/71/93/54/477719354.db2.gz OQMRSZWZPNSNGL-QGZVFWFLSA-N 0 0 326.396 2.611 50 0 EFAARN O=C(NCCn1ccc2ccccc21)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000426582907 477722468 /nfs/dbraw/zinc/72/24/68/477722468.db2.gz VRNBHCSYTSDNDD-MRXNPFEDSA-N 0 0 337.427 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CC(=O)CSc1nc2cc(-c3ccc(F)cc3)sc2c(=O)n1N ZINC000019797120 212069632 /nfs/dbraw/zinc/06/96/32/212069632.db2.gz SAFQHSLLGJKJEB-UHFFFAOYSA-N 0 0 349.412 2.659 50 0 EFAARN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCOCC1 ZINC000019793631 212068575 /nfs/dbraw/zinc/06/85/75/212068575.db2.gz FSEYSDZKAOXRDJ-UHFFFAOYSA-N 0 0 330.428 2.704 50 0 EFAARN Cc1ccc2nc(C)cc(C(=O)N(C)CCN3CCCCC3=O)c2c1 ZINC000077515948 216925424 /nfs/dbraw/zinc/92/54/24/216925424.db2.gz RRQLBZNXOXJGKQ-UHFFFAOYSA-N 0 0 339.439 2.936 50 0 EFAARN O=C(NCC[C@H]1COc2ccccc2O1)c1cccc(-n2cccn2)c1 ZINC000077539308 216932614 /nfs/dbraw/zinc/93/26/14/216932614.db2.gz MZQDTVBIAQQHJX-KRWDZBQOSA-N 0 0 349.390 2.832 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000019757663 212062455 /nfs/dbraw/zinc/06/24/55/212062455.db2.gz XFPZWXWMJXSYKR-UHFFFAOYSA-N 0 0 344.480 2.810 50 0 EFAARN COC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N ZINC000019757723 212062301 /nfs/dbraw/zinc/06/23/01/212062301.db2.gz FNFJUNODWVNTBN-UHFFFAOYSA-N 0 0 329.787 2.797 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/nfs/dbraw/zinc/01/48/56/212014856.db2.gz BEGCARBIILJPAR-UHFFFAOYSA-N 0 0 339.483 2.975 50 0 biogenic EFAARN O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1 ZINC000019316226 212014867 /nfs/dbraw/zinc/01/48/67/212014867.db2.gz LUEPPXUOEIRTKP-SNVBAGLBSA-N 0 0 343.663 2.506 50 0 EFAARN O=C(Cc1ccc(F)cc1)NCc1cc2ccc(F)cc2[nH]c1=O ZINC000049597342 214021683 /nfs/dbraw/zinc/02/16/83/214021683.db2.gz IGCGQJGCWRYCIA-UHFFFAOYSA-N 0 0 328.318 2.665 50 0 EFAARN COc1cccc(NC(=O)NC[C@@H]2COC3(CCCC3)O2)c1OC ZINC000049504416 214012929 /nfs/dbraw/zinc/01/29/29/214012929.db2.gz BMHWCKOBXHOYOK-GFCCVEGCSA-N 0 0 336.388 2.511 50 0 EFAARN Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)n1 ZINC000049550753 214018472 /nfs/dbraw/zinc/01/84/72/214018472.db2.gz UGCVEKZIGHFHRG-UHFFFAOYSA-N 0 0 349.390 2.920 50 0 EFAARN Cc1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000019235040 212007179 /nfs/dbraw/zinc/00/71/79/212007179.db2.gz WCICBGOQIKCHCW-UHFFFAOYSA-N 0 0 330.453 2.502 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019211558 212004487 /nfs/dbraw/zinc/00/44/87/212004487.db2.gz AVLMRGRKHPZMGH-UHFFFAOYSA-N 0 0 330.453 2.502 50 0 EFAARN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CN1CCOCC1 ZINC000019201931 212004085 /nfs/dbraw/zinc/00/40/85/212004085.db2.gz ZLBKXYLXXQSYAS-DUEVJXGLSA-N 0 0 330.409 2.569 50 0 EFAARN CC(C)c1csc(CN2CCC(n3cc(C[C@H](C)O)nn3)CC2)n1 ZINC000019148599 212002082 /nfs/dbraw/zinc/00/20/82/212002082.db2.gz VZDAMXDALBQCMA-ZDUSSCGKSA-N 0 0 349.504 2.618 50 0 EFAARN CCCCN(C)c1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)OCC ZINC000017270214 211961678 /nfs/dbraw/zinc/96/16/78/211961678.db2.gz YWMACVLTWCCMAO-UHFFFAOYSA-N 0 0 343.427 2.954 50 0 EFAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OCO2 ZINC000017016799 211945348 /nfs/dbraw/zinc/94/53/48/211945348.db2.gz MQFJEMMHIQZFHV-OAHLLOKOSA-N 0 0 342.376 2.857 50 0 EFAARN COc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1 ZINC000016661379 211926900 /nfs/dbraw/zinc/92/69/00/211926900.db2.gz LGZDLDSXTRUZTJ-UHFFFAOYSA-N 0 0 337.383 2.727 50 0 EFAARN O=C(NCc1ccco1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000016648030 211923505 /nfs/dbraw/zinc/92/35/05/211923505.db2.gz ZQNIKCDXFYQEBV-UHFFFAOYSA-N 0 0 330.359 2.587 50 0 EFAARN CCc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000016275930 211893633 /nfs/dbraw/zinc/89/36/33/211893633.db2.gz QRSAEPVBPMIRRI-UHFFFAOYSA-N 0 0 346.452 2.649 50 0 EFAARN O=C(NC1=C[C@H]2N=C(c3ccncc3)O[C@@H]2C=C1)c1cccc(F)c1 ZINC000016399114 211901902 /nfs/dbraw/zinc/90/19/02/211901902.db2.gz ZUMWYNMCDPQBDV-IAGOWNOFSA-N 0 0 335.338 2.618 50 0 EFAARN CC1(C)C[C@@H](NC(=O)c2ccc(Nc3ncccn3)cc2)CCO1 ZINC000079191094 217200353 /nfs/dbraw/zinc/20/03/53/217200353.db2.gz LGDRFWUUTAQMJF-HNNXBMFYSA-N 0 0 326.400 2.908 50 0 biogenic EFAARN O=C([O-])[C@H](CC(=O)Nc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000071279558 304169668 /nfs/dbraw/zinc/16/96/68/304169668.db2.gz QVGIXXIHBSJLJH-QGZVFWFLSA-N 0 0 338.407 2.774 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)c1cn2c3c(cccc3c1=O)CC2 ZINC000033089042 284334932 /nfs/dbraw/zinc/33/49/32/284334932.db2.gz 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/nfs/dbraw/zinc/23/25/12/217232512.db2.gz WOGLQPFGRIKBKK-UHFFFAOYSA-N 0 0 336.330 2.545 50 0 EFAARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc2c(s1)CCC2 ZINC000079488221 217232567 /nfs/dbraw/zinc/23/25/67/217232567.db2.gz DFLZOLNVTBUPIA-UHFFFAOYSA-N 0 0 346.460 2.598 50 0 EFAARN Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NCC1CCOCC1 ZINC000079491006 217232662 /nfs/dbraw/zinc/23/26/62/217232662.db2.gz QVWYDZGPNUKUII-UHFFFAOYSA-N 0 0 333.819 2.897 50 0 EFAARN Cn1ccc2c1cccc2NC(=O)Cn1nc(-c2ccco2)ccc1=O ZINC000079491463 217233191 /nfs/dbraw/zinc/23/31/91/217233191.db2.gz HIEKYWSINBYMGB-UHFFFAOYSA-N 0 0 348.362 2.634 50 0 EFAARN Cc1nc(NC(=O)c2ccc(Cl)c(-n3cnnn3)c2)sc1C ZINC000079488279 217233439 /nfs/dbraw/zinc/23/34/39/217233439.db2.gz ICYLFOSXWBSSDR-UHFFFAOYSA-N 0 0 334.792 2.641 50 0 EFAARN CC(C)Cc1nnc(NC(=O)c2ccc(Nc3ncccn3)cc2)[nH]1 ZINC000079491524 217233461 /nfs/dbraw/zinc/23/34/61/217233461.db2.gz CDKDUFOMRWWGJM-UHFFFAOYSA-N 0 0 337.387 2.789 50 0 EFAARN Cc1cc(=O)c(O)c(CN2CC=C(c3ccc(F)cc3)CC2)n1C ZINC000079495104 217234092 /nfs/dbraw/zinc/23/40/92/217234092.db2.gz DRUPVKSLUNDSEP-UHFFFAOYSA-N 0 0 328.387 2.828 50 0 EFAARN Cn1cc(CCC(=O)Nc2n[nH]c(C(F)(F)F)n2)c2ccccc21 ZINC000079473979 217228619 /nfs/dbraw/zinc/22/86/19/217228619.db2.gz YMQPBCXALUFCGZ-UHFFFAOYSA-N 0 0 337.305 2.887 50 0 EFAARN Cn1ccc2c1cccc2NC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000079473433 217229192 /nfs/dbraw/zinc/22/91/92/217229192.db2.gz JVMVBGIKYMXQMF-CQSZACIVSA-N 0 0 335.411 2.823 50 0 EFAARN COc1cccc2c1ccn2CCNC(=O)Cc1c(C)noc1C ZINC000079464709 217229330 /nfs/dbraw/zinc/22/93/30/217229330.db2.gz FDURUOVYJGQCPL-UHFFFAOYSA-N 0 0 327.384 2.614 50 0 EFAARN COc1cc(C(=O)Nc2ccc3nsnc3c2)cc(OC)c1OC ZINC000015841209 211860824 /nfs/dbraw/zinc/86/08/24/211860824.db2.gz GZMYDOLYNBHUDB-UHFFFAOYSA-N 0 0 345.380 2.969 50 0 EFAARN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000015623080 211835546 /nfs/dbraw/zinc/83/55/46/211835546.db2.gz VVNCTNLXFMENBR-UHFFFAOYSA-N 0 0 348.424 2.636 50 0 EFAARN COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)nn1C)C(C)C ZINC000080329875 217299014 /nfs/dbraw/zinc/29/90/14/217299014.db2.gz ZVHBHXXFOYBPOI-HNNXBMFYSA-N 0 0 349.818 2.668 50 0 EFAARN O=C(Cc1csc(-n2cccc2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000080337753 217299345 /nfs/dbraw/zinc/29/93/45/217299345.db2.gz NLKDSYGMWVHNRL-KBXCAEBGSA-N 0 0 345.468 2.630 50 0 EFAARN COc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1Cl ZINC000015085632 211801850 /nfs/dbraw/zinc/80/18/50/211801850.db2.gz JJLMXYKDPIANHZ-UHFFFAOYSA-N 0 0 335.772 2.670 50 0 EFAARN O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1)c1cccnc1 ZINC000015067285 211795987 /nfs/dbraw/zinc/79/59/87/211795987.db2.gz UYLPEWYKLGMBCA-GOSISDBHSA-N 0 0 345.402 2.766 50 0 EFAARN Cc1ccc(CN(C)C(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)o1 ZINC000015073840 211798351 /nfs/dbraw/zinc/79/83/51/211798351.db2.gz LGESRSLQXSKTOV-UHFFFAOYSA-N 0 0 349.394 2.981 50 0 EFAARN O=C(NCCc1nc2cc(F)ccc2[nH]1)[C@H]1COc2ccccc2C1 ZINC000080925238 217341399 /nfs/dbraw/zinc/34/13/99/217341399.db2.gz YGLIAMMCBZARGW-CYBMUJFWSA-N 0 0 339.370 2.612 50 0 EFAARN CC1=C(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)OCCO1 ZINC000014980454 211782762 /nfs/dbraw/zinc/78/27/62/211782762.db2.gz VPUZBVZAMAIRPO-QGZVFWFLSA-N 0 0 331.412 2.515 50 0 EFAARN CO[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3cccc(Cl)c3)=NO2)C1 ZINC000015000838 211785178 /nfs/dbraw/zinc/78/51/78/211785178.db2.gz GDJZRLZEPOAGFU-HOTGVXAUSA-N 0 0 336.819 2.665 50 0 EFAARN COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2ccccn2)cc1Cl ZINC000014992409 211784900 /nfs/dbraw/zinc/78/49/00/211784900.db2.gz WCVXABIWUOPUQL-HOCLYGCPSA-N 0 0 343.814 2.733 50 0 EFAARN Cn1cc(CCC(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1 ZINC000014953542 211776803 /nfs/dbraw/zinc/77/68/03/211776803.db2.gz OFXUYSUPWIPWAT-LJQANCHMSA-N 0 0 341.455 2.603 50 0 EFAARN COC(=O)c1sc2cc(C(F)(F)F)cnc2c1Cn1cncn1 ZINC000081225749 217370348 /nfs/dbraw/zinc/37/03/48/217370348.db2.gz KOVLAWDOEZWFIF-UHFFFAOYSA-N 0 0 342.302 2.742 50 0 EFAARN CCOCCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000111798430 220192543 /nfs/dbraw/zinc/19/25/43/220192543.db2.gz VWCISIGXCVJXDG-CQSZACIVSA-N 0 0 339.867 2.765 50 0 EFAARN CCCCc1nn2c(ncc(NC(=O)c3ccc(F)cc3)c2=O)s1 ZINC000014291567 211730812 /nfs/dbraw/zinc/73/08/12/211730812.db2.gz XZAFLNASJKXOIN-UHFFFAOYSA-N 0 0 346.387 2.885 50 0 EFAARN COCCN(Cc1ccsc1)C(=O)CCc1c(C)nn(C)c1C ZINC000082083876 217460423 /nfs/dbraw/zinc/46/04/23/217460423.db2.gz PILCZLQQSMZKFI-UHFFFAOYSA-N 0 0 335.473 2.706 50 0 EFAARN CC(C)c1noc([C@H]2CCCN2C(=O)Cc2cn3ccsc3n2)n1 ZINC000082092431 217463455 /nfs/dbraw/zinc/46/34/55/217463455.db2.gz IGPCIPJXPXZYDV-GFCCVEGCSA-N 0 0 345.428 2.808 50 0 EFAARN COc1ccccc1OC1CN(C(=O)c2ccc3nccnc3c2)C1 ZINC000082107889 217467635 /nfs/dbraw/zinc/46/76/35/217467635.db2.gz JEFVGCNWOAXOFT-UHFFFAOYSA-N 0 0 335.363 2.542 50 0 EFAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC(CCn3cccn3)CC2)c1C ZINC000082107145 217467832 /nfs/dbraw/zinc/46/78/32/217467832.db2.gz XOHZVIKIWWXCGI-UHFFFAOYSA-N 0 0 342.443 2.973 50 0 EFAARN Cc1nc(-c2cccnc2)ncc1C(=O)N1Cc2ccccc2[C@@H](O)C1 ZINC000082108164 217468204 /nfs/dbraw/zinc/46/82/04/217468204.db2.gz ATHXYDVDUNIIEU-SFHVURJKSA-N 0 0 346.390 2.536 50 0 EFAARN O=C(c1ccc2nccnc2c1)N1CCC(OCc2cccnc2)CC1 ZINC000082107106 217468302 /nfs/dbraw/zinc/46/83/02/217468302.db2.gz JWTGKZXKNXTULK-UHFFFAOYSA-N 0 0 348.406 2.846 50 0 EFAARN CC(C)c1cc(C(=O)NCCNC(=O)c2ccccc2Cl)no1 ZINC000082106179 217466767 /nfs/dbraw/zinc/46/67/67/217466767.db2.gz VFAXNGZCNXXDGJ-UHFFFAOYSA-N 0 0 335.791 2.611 50 0 EFAARN CC(C)c1cc(C(=O)NCc2csc(-c3ncccn3)n2)no1 ZINC000082148084 217479120 /nfs/dbraw/zinc/47/91/20/217479120.db2.gz CCQVXAJKPAIAII-UHFFFAOYSA-N 0 0 329.385 2.642 50 0 EFAARN COC(=O)N1CCCC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000082156719 217479810 /nfs/dbraw/zinc/47/98/10/217479810.db2.gz XMSYFJKEUQRHLS-HNNXBMFYSA-N 0 0 343.383 2.692 50 0 EFAARN CC(C)c1nc(CN(C)C(=O)COC[C@@H]2CCCCO2)cs1 ZINC000082160870 217481419 /nfs/dbraw/zinc/48/14/19/217481419.db2.gz ZIYGHPNCPJMDLH-AWEZNQCLSA-N 0 0 326.462 2.811 50 0 EFAARN CSc1nccc(N[C@@H]2CCCCN(C(=O)N3CCCC3)C2)n1 ZINC000082133897 217474792 /nfs/dbraw/zinc/47/47/92/217474792.db2.gz NTXYVOJNEPENIG-CYBMUJFWSA-N 0 0 335.477 2.681 50 0 EFAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000264103024 246067286 /nfs/dbraw/zinc/06/72/86/246067286.db2.gz FWBKAAVVBXGJMX-CYBMUJFWSA-N 0 0 340.408 2.747 50 0 EFAARN O=C(Nc1nnc(-c2cccs2)o1)[C@@H]1COc2ccccc2O1 ZINC000002641571 284441642 /nfs/dbraw/zinc/44/16/42/284441642.db2.gz AAEMGBVWBOJPSA-NSHDSACASA-N 0 0 329.337 2.577 50 0 EFAARN COc1cccc([C@H]2CCCN2C(=O)CCc2nc(Cl)n[nH]2)c1 ZINC000082162261 217482794 /nfs/dbraw/zinc/48/27/94/217482794.db2.gz HQPOUZGJWVEZCA-CYBMUJFWSA-N 0 0 334.807 2.763 50 0 EFAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 ZINC000000352579 284450325 /nfs/dbraw/zinc/45/03/25/284450325.db2.gz MDXJJOKTGDJRNN-RHSMWYFYSA-N 0 0 336.347 2.585 50 0 biogenic EFAARN CCN(CC)C(=O)C1=C(C)NC(=O)N[C@@H]1c1c(F)cccc1Cl ZINC000000464707 284463538 /nfs/dbraw/zinc/46/35/38/284463538.db2.gz MYXQKUQIYAXYPP-AWEZNQCLSA-N 0 0 339.798 2.975 50 0 EFAARN Cc1occc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000013955148 211660036 /nfs/dbraw/zinc/66/00/36/211660036.db2.gz VUBAVZHPISJWDD-CYBMUJFWSA-N 0 0 328.368 2.749 50 0 EFAARN Cc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccco2)o1 ZINC000013961625 211662053 /nfs/dbraw/zinc/66/20/53/211662053.db2.gz UDHLXLYWFSBYBU-UHFFFAOYSA-N 0 0 336.351 2.909 50 0 EFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000085412965 291608230 /nfs/dbraw/zinc/60/82/30/291608230.db2.gz DYLASHWOMLOUFB-RHSMWYFYSA-N 0 0 340.306 2.998 50 0 EFAARN O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1c(F)cccc1Cl ZINC000085559098 217677453 /nfs/dbraw/zinc/67/74/53/217677453.db2.gz JQXBLGGIYGIQOG-AWEZNQCLSA-N 0 0 335.762 2.877 50 0 EFAARN C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)NC1CC1 ZINC000013693480 211613573 /nfs/dbraw/zinc/61/35/73/211613573.db2.gz AFDIXLXMCKPAMN-LBPRGKRZSA-N 0 0 349.390 2.892 50 0 EFAARN COc1ccccc1C(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000013691837 211613157 /nfs/dbraw/zinc/61/31/57/211613157.db2.gz UVRBRIGGYRYMQG-AWEZNQCLSA-N 0 0 336.395 2.758 50 0 EFAARN Cc1c(-c2cc(C(=O)NC3C4CC5CC(C4)CC3C5)on2)cnn1C ZINC000013641695 211597178 /nfs/dbraw/zinc/59/71/78/211597178.db2.gz KKAOFWREILTVKT-UHFFFAOYSA-N 0 0 340.427 2.938 50 0 EFAARN Nc1ccc(C(=O)OCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1 ZINC000013571777 211584094 /nfs/dbraw/zinc/58/40/94/211584094.db2.gz UJUZXPYDCIKDPR-UHFFFAOYSA-N 0 0 342.248 2.621 50 0 EFAARN CC[C@@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccc(OC)cc1 ZINC000013572043 211584191 /nfs/dbraw/zinc/58/41/91/211584191.db2.gz NHYUHCRPQRUQTJ-GFCCVEGCSA-N 0 0 343.412 2.871 50 0 EFAARN COC(=O)[C@@H]1CC12CCN(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000265062531 247172810 /nfs/dbraw/zinc/17/28/10/247172810.db2.gz NLSCFOIGPARIIB-AWEZNQCLSA-N 0 0 337.803 2.521 50 0 EFAARN CC(C)NC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000013552522 211577301 /nfs/dbraw/zinc/57/73/01/211577301.db2.gz LIZJTMXWSTVDCH-INIZCTEOSA-N 0 0 341.455 2.864 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2[nH]nc3c2CCCCC3)n1 ZINC000426383837 247272500 /nfs/dbraw/zinc/27/25/00/247272500.db2.gz LRIQNLSGYBMKJZ-CQSZACIVSA-N 0 0 341.459 2.917 50 0 EFAARN CCc1nc2ccccc2n1CCC(=O)NCc1cnn2ccccc12 ZINC000426382643 247272646 /nfs/dbraw/zinc/27/26/46/247272646.db2.gz JBRDALDOGRYVHJ-UHFFFAOYSA-N 0 0 347.422 2.953 50 0 EFAARN CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1cc[nH]n1 ZINC000426387851 247272992 /nfs/dbraw/zinc/27/29/92/247272992.db2.gz UVIRXTNRRPRDSC-ZDUSSCGKSA-N 0 0 325.416 2.632 50 0 EFAARN Cc1nc(CNC(=O)c2ccnc(C(C)C)n2)nc2c1CCCC2 ZINC000426387266 247273124 /nfs/dbraw/zinc/27/31/24/247273124.db2.gz KQTMUPAEGQVJND-UHFFFAOYSA-N 0 0 325.416 2.507 50 0 EFAARN CC[C@@H](NC(=O)N1CCN(c2ncccc2C)CC1)c1ccncc1 ZINC000426395397 247273584 /nfs/dbraw/zinc/27/35/84/247273584.db2.gz OTVGUTCATUHJBR-QGZVFWFLSA-N 0 0 339.443 2.768 50 0 EFAARN O=C(C1CC1)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426388036 247273877 /nfs/dbraw/zinc/27/38/77/247273877.db2.gz UAQXLNDARAFSQE-NRFANRHFSA-N 0 0 340.467 2.870 50 0 EFAARN C[C@H](NC(=O)NC1(C(N)=O)CCCCCC1)c1nc2ccccc2[nH]1 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COCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)n1cc(Cl)cn1 ZINC000426408894 247277520 /nfs/dbraw/zinc/27/75/20/247277520.db2.gz FTVIHFUVZSRJOP-LBPRGKRZSA-N 0 0 339.798 2.912 50 0 EFAARN Cc1nnc(CN(C)C(=O)NC[C@]2(c3ccccc3)CC2(C)C)o1 ZINC000426428379 247278974 /nfs/dbraw/zinc/27/89/74/247278974.db2.gz ZPSHXSPLDJOVNC-SFHVURJKSA-N 0 0 328.416 2.887 50 0 EFAARN COc1c[nH]c(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000426433562 247279179 /nfs/dbraw/zinc/27/91/79/247279179.db2.gz FVQBAVAHKPKXQR-AWEZNQCLSA-N 0 0 326.396 2.649 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3csc(SC)n3)[C@H]2C1 ZINC000426427865 247279611 /nfs/dbraw/zinc/27/96/11/247279611.db2.gz AAYKDDNHVZOZMK-ITDIGPHOSA-N 0 0 342.486 2.664 50 0 EFAARN CCc1nnc(CN(C)C(=O)N[C@@H](C)COc2c(C)cccc2C)o1 ZINC000426424404 247279973 /nfs/dbraw/zinc/27/99/73/247279973.db2.gz UEIOHRPNDWYLEO-AWEZNQCLSA-N 0 0 346.431 2.858 50 0 EFAARN CO[C@]12CCN(C(=O)c3ccccc3C(F)(F)F)[C@H]1C[C@H](O)CC2 ZINC000426470792 247283598 /nfs/dbraw/zinc/28/35/98/247283598.db2.gz 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O=C([C@@H]1CCCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000159609001 225249369 /nfs/dbraw/zinc/24/93/69/225249369.db2.gz PASFBGNCCFKDOT-HNNXBMFYSA-N 0 0 342.361 2.923 50 0 EFAARN Cc1nn(CC(=O)Nc2ccc(Br)cc2)c(C)c1C=O ZINC000036868026 544442047 /nfs/dbraw/zinc/44/20/47/544442047.db2.gz HDWKMABRSFHJHP-UHFFFAOYSA-N 0 0 336.189 2.714 50 0 EFAARN Cc1nc2cc(CNS(=O)(=O)c3cccc(C)c3)ccc2n1C ZINC000074999034 544471304 /nfs/dbraw/zinc/47/13/04/544471304.db2.gz YXGQWGREQWMMBK-UHFFFAOYSA-N 0 0 329.425 2.669 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)COc2cccc(C)c2)n1 ZINC000009320324 262514055 /nfs/dbraw/zinc/51/40/55/262514055.db2.gz JNMOGJGRFFKASN-UHFFFAOYSA-N 0 0 334.397 2.575 50 0 EFAARN COc1cccc(C(=O)COC(=O)C=C2OC(=O)c3ccccc32)c1 ZINC000000993195 262518942 /nfs/dbraw/zinc/51/89/42/262518942.db2.gz VRUPMFUKLMJIQY-YVLHZVERSA-N 0 0 338.315 2.633 50 0 EFAARN CS(=O)(=O)Cc1ccccc1NC(=O)c1cccc2c1CCC2 ZINC000194916276 265395932 /nfs/dbraw/zinc/39/59/32/265395932.db2.gz NFBYNNPIHVPLLO-UHFFFAOYSA-N 0 0 329.421 2.972 50 0 EFAARN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000280178759 273299149 /nfs/dbraw/zinc/29/91/49/273299149.db2.gz SUNLKINBNXJVPA-QIPPXTIRSA-N 0 0 334.441 2.946 50 0 EFAARN CC(C)(C)c1cn2c3ccccc3nc2n1CCN1CCOCC1 ZINC000019771421 273503187 /nfs/dbraw/zinc/50/31/87/273503187.db2.gz XQBRQGDODRBFSM-UHFFFAOYSA-N 0 0 326.444 2.919 50 0 EFAARN CCOC(=O)c1sc2ncnc(N3C[C@H](C)O[C@@H](C)C3)c2c1C ZINC000002886998 273695739 /nfs/dbraw/zinc/69/57/39/273695739.db2.gz VWOVDIPOGAPCJC-UWVGGRQHSA-N 0 0 335.429 2.790 50 0 EFAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)on3)noc1-2 ZINC000002466069 274123858 /nfs/dbraw/zinc/12/38/58/274123858.db2.gz KYWUDHXBOHCKBV-UHFFFAOYSA-N 0 0 325.324 2.998 50 0 EFAARN Cc1cc(-c2nnc3sc(-c4ccc(F)c(F)c4)nn32)n(C)n1 ZINC000095472711 274672469 /nfs/dbraw/zinc/67/24/69/274672469.db2.gz ITJXXFWOSLZNRE-UHFFFAOYSA-N 0 0 332.339 2.840 50 0 EFAARN Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000000084382 274890425 /nfs/dbraw/zinc/89/04/25/274890425.db2.gz OEPHVHXEGGJZBR-LICLKQGHSA-N 0 0 331.400 2.949 50 0 EFAARN O=C1[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101500116 275031004 /nfs/dbraw/zinc/03/10/04/275031004.db2.gz BKPXFHDRFFXARJ-ZFWWWQNUSA-N 0 0 344.729 2.772 50 0 EFAARN O=c1[nH]c(=O)n(Cc2ccco2)c2nccc(-c3ccc(F)cc3)c12 ZINC000008991024 275042249 /nfs/dbraw/zinc/04/22/49/275042249.db2.gz BJEFTJMQXCQWRS-UHFFFAOYSA-N 0 0 337.310 2.532 50 0 EFAARN c1ccc2c(c1)ncnc2N1CCN(c2ncnc3ccccc32)CC1 ZINC000000032670 275071470 /nfs/dbraw/zinc/07/14/70/275071470.db2.gz OIKBIROVPMAABI-UHFFFAOYSA-N 0 0 342.406 2.900 50 0 EFAARN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3ccccc3n1)CC2 ZINC000095957957 275776546 /nfs/dbraw/zinc/77/65/46/275776546.db2.gz ULSZTSQGRHAHIP-AWEZNQCLSA-N 0 0 335.411 2.695 50 0 EFAARN CC1(C)Cc2c(sc3ncn4nc(CN5CCCC5)nc4c23)CO1 ZINC000002325669 275871324 /nfs/dbraw/zinc/87/13/24/275871324.db2.gz PINLYWKKAAVCIH-UHFFFAOYSA-N 0 0 343.456 2.786 50 0 EFAARN CC1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263616806 275935549 /nfs/dbraw/zinc/93/55/49/275935549.db2.gz KQVOGKACFKHUEY-INIZCTEOSA-N 0 0 344.390 2.561 50 0 EFAARN CC(C)[C@@H]1CN(c2ncccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071755100 276000200 /nfs/dbraw/zinc/00/02/00/276000200.db2.gz HWNQDLTZJUPMKA-KRWDZBQOSA-N 0 0 342.418 2.879 50 0 EFAARN CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2C1 ZINC000013363530 276099577 /nfs/dbraw/zinc/09/95/77/276099577.db2.gz ZERPAPBOGRMNBU-UHFFFAOYSA-N 0 0 328.343 2.921 50 0 EFAARN CC1(C)CNC(=O)c2[nH]c(-c3ccc4c(c3)OCCCO4)nc2C1 ZINC000095509632 276137824 /nfs/dbraw/zinc/13/78/24/276137824.db2.gz GNHJGMRKLRKUQQ-UHFFFAOYSA-N 0 0 327.384 2.550 50 0 EFAARN CCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 ZINC000002766544 276145768 /nfs/dbraw/zinc/14/57/68/276145768.db2.gz HSMQGRJGDULBPE-UHFFFAOYSA-N 0 0 332.979 2.761 50 0 EFAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NS(C)(=O)=O)C1 ZINC000091587515 276150450 /nfs/dbraw/zinc/15/04/50/276150450.db2.gz CSSWVQAFYJHSRZ-CQSZACIVSA-N 0 0 337.420 2.574 50 0 EFAARN CCCNC(=O)N1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000097076753 276264699 /nfs/dbraw/zinc/26/46/99/276264699.db2.gz OWGLVYXIOXMSCT-INIZCTEOSA-N 0 0 329.444 2.587 50 0 EFAARN CCCc1nc2sc3c(ncn(N)c3=O)c2c2c1COC(C)(C)C2 ZINC000000497865 276296756 /nfs/dbraw/zinc/29/67/56/276296756.db2.gz JISYQPSPCWWDMW-UHFFFAOYSA-N 0 0 344.440 2.524 50 0 EFAARN CC[C@@H]1CCCCN1C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002916958 276457593 /nfs/dbraw/zinc/45/75/93/276457593.db2.gz MFVWNHUKGCQSJW-CYBMUJFWSA-N 0 0 338.411 2.591 50 0 EFAARN CCOc1cccc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)c1O ZINC000067561841 276499234 /nfs/dbraw/zinc/49/92/34/276499234.db2.gz VQYIHVMXZPNDJE-GFCCVEGCSA-N 0 0 327.384 2.798 50 0 EFAARN CN(C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000016159725 276774209 /nfs/dbraw/zinc/77/42/09/276774209.db2.gz GXVWCTMBINFRBN-UHFFFAOYSA-N 0 0 332.141 2.718 50 0 EFAARN CN(C)Cc1ccc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)o1 ZINC000097784851 276811357 /nfs/dbraw/zinc/81/13/57/276811357.db2.gz YBYUYTMOWATYQN-ZDUSSCGKSA-N 0 0 327.306 2.770 50 0 EFAARN CN1C(=O)C[C@@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H]1c1ccccc1 ZINC000040283707 276877071 /nfs/dbraw/zinc/87/70/71/276877071.db2.gz IJERAAVKFSQWDH-OCCSQVGLSA-N 0 0 342.424 2.574 50 0 EFAARN CN1C(=O)C[C@@H](C(=O)NCc2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000072242131 277010962 /nfs/dbraw/zinc/01/09/62/277010962.db2.gz YIOIUWAUUBLJKW-ZBFHGGJFSA-N 0 0 332.400 2.723 50 0 EFAARN CC(=O)N1N=C2[C@H]([C@@H]1c1ccc(Br)cc1)N1CCC2CC1 ZINC000020058923 277021217 /nfs/dbraw/zinc/02/12/17/277021217.db2.gz YHNOBRWBDPYSQK-JKSUJKDBSA-N 0 0 348.244 2.803 50 0 EFAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000000285474 277023737 /nfs/dbraw/zinc/02/37/37/277023737.db2.gz JCJKCGKPVKJFSB-LLVKDONJSA-N 0 0 332.212 2.994 50 0 EFAARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1/C=C/c1ccccc1 ZINC000005055009 277051132 /nfs/dbraw/zinc/05/11/32/277051132.db2.gz XJBNAGZFOCCCHZ-MEBOZDAKSA-N 0 0 342.420 2.849 50 0 aggregator EFAARN CC(C)(C)C(=O)CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O ZINC000013624191 277128167 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COc1c(I)nccc1NC(=O)C(C)(C)C ZINC000035605555 277364664 /nfs/dbraw/zinc/36/46/64/277364664.db2.gz HEOFKBIGTLFGBD-UHFFFAOYSA-N 0 0 334.157 2.679 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC ZINC000001461166 277427051 /nfs/dbraw/zinc/42/70/51/277427051.db2.gz XHCHOEQGZFTTPB-NSHDSACASA-N 0 0 327.336 2.907 50 0 EFAARN COC(=O)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)cc1 ZINC000049546588 277435951 /nfs/dbraw/zinc/43/59/51/277435951.db2.gz USPCDKPJLWMRAP-AWEZNQCLSA-N 0 0 331.397 2.939 50 0 EFAARN CC(C)Cc1nc2sc3c(ncn(N)c3=O)c2c2c1CCCC2 ZINC000000547246 277513472 /nfs/dbraw/zinc/51/34/72/277513472.db2.gz OUQFFPRSBFZSDE-UHFFFAOYSA-N 0 0 328.441 2.797 50 0 EFAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)ccc1O ZINC000012062492 277839486 /nfs/dbraw/zinc/83/94/86/277839486.db2.gz RWRLOBFZQQWHCL-INIZCTEOSA-N 0 0 337.331 2.682 50 0 EFAARN COc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000190099 277865664 /nfs/dbraw/zinc/86/56/64/277865664.db2.gz FKGXJYWPEIVGRJ-UHFFFAOYSA-N 0 0 342.424 2.620 50 0 EFAARN CC(C)c1cc(C(=O)N2CCC[C@H]2c2cccnc2)nc2ncnn21 ZINC000092106822 278008429 /nfs/dbraw/zinc/00/84/29/278008429.db2.gz LMXQUUUOBYITTA-HNNXBMFYSA-N 0 0 336.399 2.620 50 0 EFAARN CC(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2ccccc21 ZINC000012379544 278125405 /nfs/dbraw/zinc/12/54/05/278125405.db2.gz PMNJSNMHQXOBJS-UHFFFAOYSA-N 0 0 349.438 2.515 50 0 EFAARN CC(C)n1cnnc1[C@H](C)n1cc(-c2ccc(-c3cc[nH]n3)o2)nn1 ZINC000091646132 278141439 /nfs/dbraw/zinc/14/14/39/278141439.db2.gz GDTSHKKDVSTOFR-NSHDSACASA-N 0 0 338.375 2.710 50 0 EFAARN CC(=O)Oc1ccccc1[C@@H]1OC(=O)c2ccccc2N1C(C)=O ZINC000000546421 278222875 /nfs/dbraw/zinc/22/28/75/278222875.db2.gz UNJGXFQJSUNLLH-KRWDZBQOSA-N 0 0 325.320 2.834 50 0 EFAARN CC1(C)C[C@@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)CCO1 ZINC000091587297 278359446 /nfs/dbraw/zinc/35/94/46/278359446.db2.gz KYLPRMDOEPCXPF-HNNXBMFYSA-N 0 0 348.487 2.585 50 0 EFAARN CC1(C)C[C@@H](C[NH+]2CCN(c3ccc(C(=O)[O-])cc3)CC2)CCO1 ZINC000097636579 278360167 /nfs/dbraw/zinc/36/01/67/278360167.db2.gz RLGLDSVWNDKQAY-HNNXBMFYSA-N 0 0 332.444 2.712 50 0 EFAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@H]2C1 ZINC000095950897 278491244 /nfs/dbraw/zinc/49/12/44/278491244.db2.gz GQCZEUJZMZKGFY-ROUUACIJSA-N 0 0 340.423 2.759 50 0 EFAARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(O)cc1)C2=O ZINC000019320093 278706525 /nfs/dbraw/zinc/70/65/25/278706525.db2.gz LKQCGDLDRHSPAX-UHFFFAOYSA-N 0 0 328.456 2.890 50 0 biogenic EFAARN Cc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 ZINC000013752047 278779978 /nfs/dbraw/zinc/77/99/78/278779978.db2.gz OXANPELCYHGOLI-WJDWOHSUSA-N 0 0 333.416 2.983 50 0 EFAARN CCCn1ncc([C@H]2CC(=O)NCc3nc4cc(C)ccn4c32)c1C ZINC000065417546 278994519 /nfs/dbraw/zinc/99/45/19/278994519.db2.gz XPKULMWHXSXCMJ-CQSZACIVSA-N 0 0 337.427 2.709 50 0 EFAARN Cc1nc(NC(N)=S)c(Br)cc1Br ZINC000098072917 279101847 /nfs/dbraw/zinc/10/18/47/279101847.db2.gz RBDAYGUNTZANDA-UHFFFAOYSA-N 0 0 325.029 2.571 50 0 EFAARN Cc1nc([C@H]2CN(Cc3ccccc3C(F)(F)F)CCO2)no1 ZINC000095958095 279108957 /nfs/dbraw/zinc/10/89/57/279108957.db2.gz YDRQOQWKPPHRHH-CYBMUJFWSA-N 0 0 327.306 2.970 50 0 EFAARN Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc3sccc3[nH]1)C2 ZINC000072152505 279111281 /nfs/dbraw/zinc/11/12/81/279111281.db2.gz UDXBHYPWNCISPU-UHFFFAOYSA-N 0 0 341.440 2.592 50 0 EFAARN CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)cc1O)CC2 ZINC000091426090 279256289 /nfs/dbraw/zinc/25/62/89/279256289.db2.gz KAVMFBXIPRIZIU-UHFFFAOYSA-N 0 0 330.428 2.565 50 0 EFAARN Cn1c2sc3c(c2c(=O)n([C@H]2CCOC(C)(C)C2)c1=O)CCCC3 ZINC000012407161 279323612 /nfs/dbraw/zinc/32/36/12/279323612.db2.gz SQBYMXPXPJPLBO-NSHDSACASA-N 0 0 348.468 2.771 50 0 EFAARN Cn1ncc(CN2CCc3nc[nH]c3[C@@H]2c2cccc(O)c2)c1C1CC1 ZINC000067758425 279403932 /nfs/dbraw/zinc/40/39/32/279403932.db2.gz OPQINKHQZSNVPD-FQEVSTJZSA-N 0 0 349.438 2.874 50 0 EFAARN CCN1c2ccccc2N[C@@H]2[C@@H]1[C@@H](C(C)=O)C(=O)N2c1ccccc1 ZINC000015321198 279463904 /nfs/dbraw/zinc/46/39/04/279463904.db2.gz CZSBSEYAXYCKAK-QYZOEREBSA-N 0 0 335.407 2.885 50 0 EFAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccs1 ZINC000001025267 279530211 /nfs/dbraw/zinc/53/02/11/279530211.db2.gz LFFMTPATFLXRGG-JOYOIKCWSA-N 0 0 336.438 2.960 50 0 EFAARN NC(=O)c1nnsc1Nc1ccccc1NC(=O)c1ccccc1 ZINC000001417030 279612078 /nfs/dbraw/zinc/61/20/78/279612078.db2.gz MNQZHUJQIBHSSY-UHFFFAOYSA-N 0 0 339.380 2.633 50 0 EFAARN C[C@H]1CC(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)c(=O)[nH]c2C1 ZINC000067630984 279633250 /nfs/dbraw/zinc/63/32/50/279633250.db2.gz XBTHEZZDVFZQCG-MRVPVSSYSA-N 0 0 332.306 2.670 50 0 EFAARN O=C(CC1CC1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012437430 279746301 /nfs/dbraw/zinc/74/63/01/279746301.db2.gz XQCRHKRLJJMSHM-HXUWFJFHSA-N 0 0 344.430 2.967 50 0 EFAARN CC(C)[C@@H](C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000000084605 279783372 /nfs/dbraw/zinc/78/33/72/279783372.db2.gz SWKSXVHIGQYKLO-INIZCTEOSA-N 0 0 328.412 2.756 50 0 EFAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CSCCC(=O)N1 ZINC000075171453 280027518 /nfs/dbraw/zinc/02/75/18/280027518.db2.gz QTUGXKCSVLHANW-KRWDZBQOSA-N 0 0 338.432 2.818 50 0 EFAARN CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 ZINC000006673674 280034962 /nfs/dbraw/zinc/03/49/62/280034962.db2.gz WKEMXQOQZQXSES-NEPJUHHUSA-N 0 0 348.852 2.574 50 0 EFAARN O=C([C@@H](c1ccc(F)cc1)N1CCCCC1)N1CCc2[nH]cnc2C1 ZINC000096132483 280074971 /nfs/dbraw/zinc/07/49/71/280074971.db2.gz CCMVAFRWQJKCRS-GOSISDBHSA-N 0 0 342.418 2.661 50 0 EFAARN CC[C@@H](C)N1CC(=O)N2[C@@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004061336 280104273 /nfs/dbraw/zinc/10/42/73/280104273.db2.gz FRWKGDXMHKAFBM-WQGACYEGSA-N 0 0 325.412 2.623 50 0 biogenic EFAARN CC[C@@H](CO)Nc1ncnc2c3cc4c(nc3oc21)CC(C)(C)OC4 ZINC000008659761 280151018 /nfs/dbraw/zinc/15/10/18/280151018.db2.gz CGXSJKPYELRRME-NSHDSACASA-N 0 0 342.399 2.805 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000101198043 280175482 /nfs/dbraw/zinc/17/54/82/280175482.db2.gz FGLZXUUMILEIGI-GVAFMPQTSA-N 0 0 348.196 2.672 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000016184415 280175550 /nfs/dbraw/zinc/17/55/50/280175550.db2.gz NMWFIAYQODQVRM-BHTHQVBYSA-N 0 0 348.196 2.672 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000000275041 280175746 /nfs/dbraw/zinc/17/57/46/280175746.db2.gz FGLZXUUMILEIGI-CRJCFHLZSA-N 0 0 348.196 2.672 50 0 EFAARN O=C1C[C@@]2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 ZINC000000543318 280271389 /nfs/dbraw/zinc/27/13/89/280271389.db2.gz GLQHFFYQNBJTAH-SFHVURJKSA-N 0 0 342.301 2.649 50 0 EFAARN O=C1Nc2c3cc4c(nc3sc2C(=O)N2CCC[C@@H]12)CCCC4 ZINC000004709968 280302871 /nfs/dbraw/zinc/30/28/71/280302871.db2.gz JIHHOYHMBSDCKY-LBPRGKRZSA-N 0 0 327.409 2.732 50 0 EFAARN Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)nn1C ZINC000009001868 280375575 /nfs/dbraw/zinc/37/55/75/280375575.db2.gz SCZWYHKPUQZZNB-UHFFFAOYSA-N 0 0 337.383 2.910 50 0 EFAARN O=c1nc2n(n1Cc1ccc(Cl)cc1)C(=O)N(c1ccccc1)C2 ZINC000015085546 280396384 /nfs/dbraw/zinc/39/63/84/280396384.db2.gz SKLQKMSOOJJZCH-UHFFFAOYSA-N 0 0 340.770 2.735 50 0 EFAARN CC(C)n1cnnc1[C@@H](C)n1cc(-c2ccc(-c3cc[nH]n3)o2)nn1 ZINC000091646131 280788657 /nfs/dbraw/zinc/78/86/57/280788657.db2.gz GDTSHKKDVSTOFR-LLVKDONJSA-N 0 0 338.375 2.710 50 0 EFAARN Cc1cccc(-c2nc3s/c(=C\c4ccccc4F)c(=O)n3n2)c1 ZINC000000527272 281186551 /nfs/dbraw/zinc/18/65/51/281186551.db2.gz FWBWHHQCJHJAGW-GDNBJRDFSA-N 0 0 337.379 2.813 50 0 EFAARN CCc1cc(=O)n(CC(=O)NC2CCCC2)c(-c2ccccc2)n1 ZINC000057527134 281375036 /nfs/dbraw/zinc/37/50/36/281375036.db2.gz CFQUTIWAEVVQGL-UHFFFAOYSA-N 0 0 325.412 2.532 50 0 EFAARN CCc1cc(=O)n(CC(=O)N2CCC(C)CC2)c(-c2ccccc2)n1 ZINC000057527105 281375064 /nfs/dbraw/zinc/37/50/64/281375064.db2.gz RPJJUYRQFSJQTI-UHFFFAOYSA-N 0 0 339.439 2.731 50 0 EFAARN CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000005559373 281618351 /nfs/dbraw/zinc/61/83/51/281618351.db2.gz JLFZOPOWQZGXNL-LBPRGKRZSA-N 0 0 328.199 2.710 50 0 EFAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCCC[C@@H]4C)n(C)c3nc12 ZINC000002917217 292711070 /nfs/dbraw/zinc/71/10/70/292711070.db2.gz ZEKNAVFVJPEWLT-ZDUSSCGKSA-N 0 0 338.411 2.509 50 0 EFAARN CN(C)[C@H]1CS(=O)(=O)[C@@]12CC1c3ccccc3C2c2ccccc21 ZINC000031716338 289395442 /nfs/dbraw/zinc/39/54/42/289395442.db2.gz DHIQQBILTIUGMZ-PCODVIEZSA-N 0 0 339.460 2.765 50 0 EFAARN NC(=O)c1ccc(CNC(=O)/C=C/c2nc3ccccc3s2)cc1 ZINC000125409379 293009909 /nfs/dbraw/zinc/00/99/09/293009909.db2.gz YRNZNJHBHQSWLZ-MDZDMXLPSA-N 0 0 337.404 2.725 50 0 EFAARN Cc1[nH]nc2c1[C@H](c1cc3ccccc3n(C)c1=O)SCC(=O)N2 ZINC000044902887 293127284 /nfs/dbraw/zinc/12/72/84/293127284.db2.gz RVEFYEHTWIYSSH-HNNXBMFYSA-N 0 0 340.408 2.994 50 0 EFAARN Cc1oc2c(c1C(=O)N[C@H]1CC[C@H](n3cnnc3)CC1)C(=O)CCC2 ZINC000244811349 294039657 /nfs/dbraw/zinc/03/96/57/294039657.db2.gz SBHGRAMURBJLMN-JOCQHMNTSA-N 0 0 342.399 2.612 50 0 EFAARN Cn1cnc2cc(C(=O)N[C@H]3[C@@H](C4CCCC4)[C@H]4OCC[C@@H]34)ccc21 ZINC000222692334 294475742 /nfs/dbraw/zinc/47/57/42/294475742.db2.gz CLNFLQMEGFPILJ-PIKADFDJSA-N 0 0 339.439 2.897 50 0 EFAARN COc1c2c(cc3c1[C@H](C(=O)Nc1ccccc1)N(C)CC3)OCO2 ZINC000035882660 294907788 /nfs/dbraw/zinc/90/77/88/294907788.db2.gz DSGPKLJXRHWHBT-MRXNPFEDSA-N 0 0 340.379 2.592 50 0 biogenic EFAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)cc(OC)c1O ZINC000044900606 295021549 /nfs/dbraw/zinc/02/15/49/295021549.db2.gz NGJQWUNMLFMFFB-HNNXBMFYSA-N 0 0 349.412 2.876 50 0 EFAARN COc1ccc(CCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 ZINC000006255009 295119045 /nfs/dbraw/zinc/11/90/45/295119045.db2.gz IPNNDIKAFRVGNH-UHFFFAOYSA-N 0 0 347.440 2.733 50 0 EFAARN COc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000004592759 295155609 /nfs/dbraw/zinc/15/56/09/295155609.db2.gz XSQSECQRRRCUPN-ZMZPIMSZSA-N 0 0 340.404 2.969 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)c2cc3ccccc3oc2=O)c1 ZINC000002689339 295178031 /nfs/dbraw/zinc/17/80/31/295178031.db2.gz IQDZVGLQDPWYHB-UHFFFAOYSA-N 0 0 346.360 2.643 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000000269983 295178125 /nfs/dbraw/zinc/17/81/25/295178125.db2.gz PSQDMZUIZOACLE-GFCCVEGCSA-N 0 0 333.409 2.844 50 0 EFAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1 ZINC000001461176 295179123 /nfs/dbraw/zinc/17/91/23/295179123.db2.gz UMMCEYMWMCFGEI-LLVKDONJSA-N 0 0 327.336 2.907 50 0 EFAARN COc1ccc2c(c1)c(/C=C1/OC(=O)c3c1cc(C)[nH]c3=O)cn2C ZINC000029747339 295276949 /nfs/dbraw/zinc/27/69/49/295276949.db2.gz NZEHZMFMHPZUSN-FRKPEAEDSA-N 0 0 336.347 2.852 50 0 EFAARN COc1cccc(C(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 ZINC000005071106 295283295 /nfs/dbraw/zinc/28/32/95/295283295.db2.gz LPOGICPZRFMRIG-MRXNPFEDSA-N 0 0 343.404 2.653 50 0 EFAARN COc1ccccc1N1C(=S)N=NC1c1nn(C)c(C)c1Cl ZINC000006714271 295344941 /nfs/dbraw/zinc/34/49/41/295344941.db2.gz PTGHNLRKIKFNPP-UHFFFAOYSA-N 0 0 335.820 2.927 50 0 EFAARN COc1ccccc1-n1nnc(S(=O)(=O)c2ccc(C)cc2)c1C ZINC000006817015 295345857 /nfs/dbraw/zinc/34/58/57/295345857.db2.gz MATGWGFNUATRLP-UHFFFAOYSA-N 0 0 343.408 2.726 50 0 EFAARN O=C(C(F)(F)F)C(Br)(Br)Br ZINC000038459117 295421243 /nfs/dbraw/zinc/42/12/43/295421243.db2.gz JKQXEWCRXCUQNU-UHFFFAOYSA-N 0 0 348.738 2.956 50 0 EFAARN O=C1Nc2ccccc2[C@@]12Nc1sc3c(c1C(=O)N2)CCCC3 ZINC000004111303 304690261 /nfs/dbraw/zinc/69/02/61/304690261.db2.gz KDDLQOPELGUMRF-QGZVFWFLSA-N 0 0 325.393 2.587 50 0 EFAARN Cc1cc(=O)c(C(=O)[O-])cn1Nc1[nH+]cc(C(F)(F)F)cc1Cl ZINC000020366157 301065964 /nfs/dbraw/zinc/06/59/64/301065964.db2.gz WDSKFJBZJNMJOS-UHFFFAOYSA-N 0 0 347.680 2.797 50 0 EFAARN Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CCN1CCCCO1 ZINC000055385239 302098575 /nfs/dbraw/zinc/09/85/75/302098575.db2.gz FWMVQVGMJXDFOX-IBGZPJMESA-N 0 0 346.471 2.920 50 0 EFAARN Cc1ccccc1N1C(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000007718554 302103598 /nfs/dbraw/zinc/10/35/98/302103598.db2.gz VPFSPAADBDANFZ-DLBZAZTESA-N 0 0 342.420 2.607 50 0 EFAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C(=O)C[C@H]2c2ccccc21 ZINC000003091020 302104431 /nfs/dbraw/zinc/10/44/31/302104431.db2.gz MJNGQQGXBHYKAI-FZDIXFNVSA-N 0 0 331.371 2.954 50 0 EFAARN Cc1ccn2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)nc2c1 ZINC000097679838 302262833 /nfs/dbraw/zinc/26/28/33/302262833.db2.gz QCSRHPZLFZYHOP-OAHLLOKOSA-N 0 0 325.416 2.684 50 0 EFAARN Cc1[nH]nc2c1[C@@H](c1cc3ccccc3n(C)c1=O)SCC(=O)N2 ZINC000044902884 302532183 /nfs/dbraw/zinc/53/21/83/302532183.db2.gz RVEFYEHTWIYSSH-OAHLLOKOSA-N 0 0 340.408 2.994 50 0 EFAARN Cc1nc([C@H](c2cccnc2)N2CCOCC2)n(C2CCCCC2)n1 ZINC000095519392 302636279 /nfs/dbraw/zinc/63/62/79/302636279.db2.gz WZHVKTBCJGDSJU-SFHVURJKSA-N 0 0 341.459 2.908 50 0 EFAARN NC(=O)COc1ccc(N[S@@](=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006744635 303253145 /nfs/dbraw/zinc/25/31/45/303253145.db2.gz RTTHJXSOWRGFMM-DCCOXESHSA-N 0 0 348.468 2.595 50 0 EFAARN O=C(N1CCC[C@](O)(CO)CC1)C1(c2ccccc2)CCCCC1 ZINC000072164491 303679615 /nfs/dbraw/zinc/67/96/15/303679615.db2.gz PLJONQWUWKNQMX-LJQANCHMSA-N 0 0 331.456 2.624 50 0 EFAARN Cc1nc(-c2cccc(NC(=O)CCc3c(C)noc3C)c2)n[nH]1 ZINC000298691470 311014696 /nfs/dbraw/zinc/01/46/96/311014696.db2.gz CUEFZEIKTSQKAG-UHFFFAOYSA-N 0 0 325.372 2.956 50 0 EFAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)Cn1cncn1 ZINC000299134414 311054974 /nfs/dbraw/zinc/05/49/74/311054974.db2.gz OYFXOQILIUCTTA-JTQLQIEISA-N 0 0 345.790 2.713 50 0 EFAARN CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](O)C23CCCC3)cc1 ZINC000330336301 311314195 /nfs/dbraw/zinc/31/41/95/311314195.db2.gz SHEOFWUDAHKUAF-HNNXBMFYSA-N 0 0 331.416 2.946 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccncc2C)cc1Cl ZINC000494603067 314612720 /nfs/dbraw/zinc/61/27/20/314612720.db2.gz NKAFMYHEQXJWIO-UHFFFAOYSA-N 0 0 326.805 2.531 50 0 EFAARN C[C@@H](NCc1c(-c2ccccc2)nc2ccccn21)c1nncn1C ZINC000494789042 314635906 /nfs/dbraw/zinc/63/59/06/314635906.db2.gz XNTNALJNHJMMSP-CQSZACIVSA-N 0 0 332.411 2.981 50 0 EFAARN CCO[C@@H](C)c1noc(CN2Cc3cnn(-c4ccccc4)c3C2)n1 ZINC000550158964 318188684 /nfs/dbraw/zinc/18/86/84/318188684.db2.gz NGUJDIQJNMMHSM-ZDUSSCGKSA-N 0 0 339.399 2.869 50 0 EFAARN COc1cccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000000488621 323210687 /nfs/dbraw/zinc/21/06/87/323210687.db2.gz AFDWKRHYGSKPBZ-KRWDZBQOSA-N 0 0 335.363 2.844 50 0 EFAARN Cc1ccccc1C1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 ZINC000195366750 323525509 /nfs/dbraw/zinc/52/55/09/323525509.db2.gz LGPSUKQZYXNSEA-KRWDZBQOSA-N 0 0 328.456 2.982 50 0 EFAARN O=C(Nc1nc2ccccc2s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007767156 462749371 /nfs/dbraw/zinc/74/93/71/462749371.db2.gz JGIVKSUWYQJIGG-LLVKDONJSA-N 0 0 341.392 2.877 50 0 EFAARN Cc1cc(=O)c(OCC(=O)Nc2nc(-c3cccs3)cs2)c[nH]1 ZINC000095472810 463092254 /nfs/dbraw/zinc/09/22/54/463092254.db2.gz MJMSJFZCIIUDGC-UHFFFAOYSA-N 0 0 347.421 2.886 50 0 EFAARN CCOC(=O)c1csc(NC(=O)Cn2ccc3ccccc32)n1 ZINC000079484293 463219909 /nfs/dbraw/zinc/21/99/09/463219909.db2.gz RCODNYLBHXXRAB-UHFFFAOYSA-N 0 0 329.381 2.913 50 0 EFAARN CCCCCOc1ccc(C)cc1S(=O)(=O)N1CCOCC1 ZINC000041092034 472044176 /nfs/dbraw/zinc/04/41/76/472044176.db2.gz 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CCN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000000299940 471344592 /nfs/dbraw/zinc/34/45/92/471344592.db2.gz IYTUNTGTNWWZLV-IBGZPJMESA-N 0 0 325.364 2.522 50 0 EFAARN CCOC(=O)c1c(NC(=S)NC(C)=O)sc2c1CCCC2 ZINC000000296879 471344678 /nfs/dbraw/zinc/34/46/78/471344678.db2.gz GWELKXUDYGMTNZ-UHFFFAOYSA-N 0 0 326.443 2.637 50 0 EFAARN C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000000299734 471344937 /nfs/dbraw/zinc/34/49/37/471344937.db2.gz NKNFPVOPLUIORL-ZDUSSCGKSA-N 0 0 334.375 2.651 50 0 EFAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)cc1 ZINC000000309697 471345752 /nfs/dbraw/zinc/34/57/52/471345752.db2.gz XQJGKESWJQZBSD-AWEZNQCLSA-N 0 0 339.395 2.780 50 0 EFAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)N1CCCC1 ZINC000000308146 471345864 /nfs/dbraw/zinc/34/58/64/471345864.db2.gz LPVAQHAHCSZIIM-UHFFFAOYSA-N 0 0 347.798 2.936 50 0 EFAARN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2OC)cc1 ZINC000000309360 471346036 /nfs/dbraw/zinc/34/60/36/471346036.db2.gz CXXGHMBTHPXZCG-UHFFFAOYSA-N 0 0 346.408 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/nfs/dbraw/zinc/35/39/83/471353983.db2.gz MLUMWZJTSCYSJX-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN Cc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 ZINC000000389219 471354180 /nfs/dbraw/zinc/35/41/80/471354180.db2.gz DOHTVKJCYRFRGA-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN CCCc1nn(CC(=O)N(c2ccccc2)C(C)C)c(=S)n1N ZINC000000392194 471354284 /nfs/dbraw/zinc/35/42/84/471354284.db2.gz PZRSCWVYBVUJMW-UHFFFAOYSA-N 0 0 333.461 2.522 50 0 EFAARN O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1 ZINC000000418376 471356414 /nfs/dbraw/zinc/35/64/14/471356414.db2.gz HIKRKFWWIFACIF-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCCC1 ZINC000000418962 471356988 /nfs/dbraw/zinc/35/69/88/471356988.db2.gz NNZPHJDIWUCOFY-UHFFFAOYSA-N 0 0 339.424 2.530 50 0 EFAARN Cc1ccccc1OCC(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000000424991 471358260 /nfs/dbraw/zinc/35/82/60/471358260.db2.gz DUOPKSFYTQABQC-UHFFFAOYSA-N 0 0 341.392 2.517 50 0 EFAARN CCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000000441323 471359491 /nfs/dbraw/zinc/35/94/91/471359491.db2.gz VNIXNXIQVMEKML-UHFFFAOYSA-N 0 0 339.424 2.956 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)NC(=O)N1 ZINC000000432520 471359895 /nfs/dbraw/zinc/35/98/95/471359895.db2.gz XXQZJEDAWJLZQX-INIZCTEOSA-N 0 0 348.399 2.675 50 0 EFAARN CCOc1ccc(N2C(=O)c3ccccc3[C@@]2(O)c2ncc[nH]2)cc1 ZINC000000434666 471360150 /nfs/dbraw/zinc/36/01/50/471360150.db2.gz OKANAAWLUFLZQU-LJQANCHMSA-N 0 0 335.363 2.662 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000000450563 471360871 /nfs/dbraw/zinc/36/08/71/471360871.db2.gz QLVNDWXKLWNAJS-UHFFFAOYSA-N 0 0 332.425 2.563 50 0 EFAARN CNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 ZINC000000444619 471360935 /nfs/dbraw/zinc/36/09/35/471360935.db2.gz VJWIXGWGIHAPEB-UHFFFAOYSA-N 0 0 334.379 2.793 50 0 EFAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000448528 471361592 /nfs/dbraw/zinc/36/15/92/471361592.db2.gz MWADHDQIUSABNC-UHFFFAOYSA-N 0 0 327.336 2.693 50 0 EFAARN CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000000444319 471361775 /nfs/dbraw/zinc/36/17/75/471361775.db2.gz MHZRSCFZMPLHEI-UHFFFAOYSA-N 0 0 346.452 2.962 50 0 EFAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 ZINC000000456270 471361967 /nfs/dbraw/zinc/36/19/67/471361967.db2.gz VHXNEVCKAYVJTO-UHFFFAOYSA-N 0 0 334.372 2.970 50 0 EFAARN NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1 ZINC000000457949 471362007 /nfs/dbraw/zinc/36/20/07/471362007.db2.gz JYNGSKNABKQWRX-UHFFFAOYSA-N 0 0 337.423 2.957 50 0 EFAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ncccc2C)c1 ZINC000000456274 471362073 /nfs/dbraw/zinc/36/20/73/471362073.db2.gz DQVDTPILPLKPSV-UHFFFAOYSA-N 0 0 331.397 2.534 50 0 EFAARN COc1ccc2ccc(OC)c(/C=C3\NC(=S)N(C)C3=O)c2c1 ZINC000000456660 471362091 /nfs/dbraw/zinc/36/20/91/471362091.db2.gz QWGJEFQKGXLUCS-ZROIWOOFSA-N 0 0 328.393 2.544 50 0 EFAARN COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OC ZINC000000456589 471362310 /nfs/dbraw/zinc/36/23/10/471362310.db2.gz OQKYWFIMGUGVGA-UHFFFAOYSA-N 0 0 328.368 2.939 50 0 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331.846 2.931 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000000474624 471364555 /nfs/dbraw/zinc/36/45/55/471364555.db2.gz BCPAZFNQCBWOTM-RUDMXATFSA-N 0 0 336.800 2.639 50 0 EFAARN COc1ccc(C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(OC)n1 ZINC000000487432 471365222 /nfs/dbraw/zinc/36/52/22/471365222.db2.gz JCILKLDQDBUHBG-IAQYHMDHSA-N 0 0 327.384 2.588 50 0 biogenic EFAARN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000000479316 471365468 /nfs/dbraw/zinc/36/54/68/471365468.db2.gz INOXIWCLRBLHNE-UHFFFAOYSA-N 0 0 349.408 2.738 50 0 EFAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O ZINC000000488447 471365526 /nfs/dbraw/zinc/36/55/26/471365526.db2.gz AOBBQNFQVXYECH-UHFFFAOYSA-N 0 0 346.379 2.811 50 0 EFAARN O=C(c1ccccc1)c1ccc2c(c1)OCCOCCOCCO2 ZINC000000500433 471366273 /nfs/dbraw/zinc/36/62/73/471366273.db2.gz YHFDFYQXSAIPLL-UHFFFAOYSA-N 0 0 328.364 2.722 50 0 EFAARN Cc1cc(C)n(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000000503336 471366380 /nfs/dbraw/zinc/36/63/80/471366380.db2.gz 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/nfs/dbraw/zinc/36/96/55/471369655.db2.gz OUWWEDGXDGSGMT-UHFFFAOYSA-N 0 0 326.381 2.845 50 0 EFAARN CN(C)S(=O)(=O)c1cccc(-c2cn3cc(Cl)ccc3n2)c1 ZINC000000536693 471369914 /nfs/dbraw/zinc/36/99/14/471369914.db2.gz CDFYRTDHIKBKFK-UHFFFAOYSA-N 0 0 335.816 2.905 50 0 EFAARN COC(=O)[C@@H](NC(=O)Nc1cccc(Br)c1)C(C)C ZINC000000534797 471369990 /nfs/dbraw/zinc/36/99/90/471369990.db2.gz KMCYASMLOQYJMJ-NSHDSACASA-N 0 0 329.194 2.768 50 0 biogenic EFAARN CCN(CC)C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000000555180 471370235 /nfs/dbraw/zinc/37/02/35/471370235.db2.gz SGKWRXXCEMAABT-UHFFFAOYSA-N 0 0 346.452 2.994 50 0 EFAARN CSc1nc2sc3c(c2c(SCC(N)=O)n1)CCCC3 ZINC000000554019 471370914 /nfs/dbraw/zinc/37/09/14/471370914.db2.gz QEPURZGLOPNAEG-UHFFFAOYSA-N 0 0 325.484 2.869 50 0 EFAARN O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccc1 ZINC000000548987 471370979 /nfs/dbraw/zinc/37/09/79/471370979.db2.gz RNKULPYMNVCMTI-UHFFFAOYSA-N 0 0 334.331 2.524 50 0 EFAARN Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccccc1O ZINC000000565399 471371188 /nfs/dbraw/zinc/37/11/88/471371188.db2.gz VADKSFKXEIFQKI-KRWDZBQOSA-N 0 0 331.755 2.767 50 0 EFAARN O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000000612871 471373439 /nfs/dbraw/zinc/37/34/39/471373439.db2.gz ABEWZJVIYUECSY-UHFFFAOYSA-N 0 0 325.393 2.615 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000000615503 471373498 /nfs/dbraw/zinc/37/34/98/471373498.db2.gz KYUJPHKWDOGNNB-CQSZACIVSA-N 0 0 337.379 2.637 50 0 EFAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000000615498 471373653 /nfs/dbraw/zinc/37/36/53/471373653.db2.gz KOXWYBLNMQWLQU-ZDUSSCGKSA-N 0 0 340.379 2.695 50 0 EFAARN NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000000615106 471373935 /nfs/dbraw/zinc/37/39/35/471373935.db2.gz SFYIEZGEQOCGRQ-UHFFFAOYSA-N 0 0 328.372 2.651 50 0 EFAARN COC(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 ZINC000000612729 471374106 /nfs/dbraw/zinc/37/41/06/471374106.db2.gz BDZDSKJNWMUUOC-UHFFFAOYSA-N 0 0 336.391 2.787 50 0 EFAARN COC(=O)Cc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000614164 471374188 /nfs/dbraw/zinc/37/41/88/471374188.db2.gz MNYNFKULUUCCSJ-UHFFFAOYSA-N 0 0 329.352 2.672 50 0 EFAARN COC(=O)c1cccc(COC(=O)c2cc3ccccc3oc2=O)c1 ZINC000000616118 471374364 /nfs/dbraw/zinc/37/43/64/471374364.db2.gz RFGNFZHLCKHLBF-UHFFFAOYSA-N 0 0 338.315 2.937 50 0 EFAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCCCC2)cc1 ZINC000000617851 471374612 /nfs/dbraw/zinc/37/46/12/471374612.db2.gz MPXCHMNKTCTBCQ-CQSZACIVSA-N 0 0 338.473 2.501 50 0 EFAARN O=C(CSc1nnnn1-c1ccccc1)NC1CCCCCC1 ZINC000000616415 471374895 /nfs/dbraw/zinc/37/48/95/471374895.db2.gz XQBDEVJNHQADFV-UHFFFAOYSA-N 0 0 331.445 2.593 50 0 EFAARN O=S(=O)(NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000000619452 471374928 /nfs/dbraw/zinc/37/49/28/471374928.db2.gz YJIKMFQKVPBPIZ-UHFFFAOYSA-N 0 0 331.437 2.713 50 0 EFAARN CCOC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000000753281 471374956 /nfs/dbraw/zinc/37/49/56/471374956.db2.gz YBPUJEWDNZDTSJ-UHFFFAOYSA-N 0 0 339.457 2.576 50 0 EFAARN O=C(CCc1ccccc1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000000617421 471374966 /nfs/dbraw/zinc/37/49/66/471374966.db2.gz KPFSKPZNWUPTHO-UHFFFAOYSA-N 0 0 338.407 2.730 50 0 EFAARN CCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C ZINC000000618795 471374981 /nfs/dbraw/zinc/37/49/81/471374981.db2.gz HYTDMEWBJLCIJO-RYUDHWBXSA-N 0 0 327.446 2.500 50 0 EFAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000000618922 471374992 /nfs/dbraw/zinc/37/49/92/471374992.db2.gz CALIFBVFCNLIOG-CHWSQXEVSA-N 0 0 327.446 2.617 50 0 EFAARN Cc1cc(C)nc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)n1 ZINC000000811591 471375759 /nfs/dbraw/zinc/37/57/59/471375759.db2.gz CUABEYPNNCWQNL-ZDUSSCGKSA-N 0 0 329.787 2.869 50 0 EFAARN O=C1CN(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2N1 ZINC000000814416 471375872 /nfs/dbraw/zinc/37/58/72/471375872.db2.gz USEQFRAGWIWICD-UHFFFAOYSA-N 0 0 338.388 2.987 50 0 EFAARN COC(=O)c1cn([C@H](C)C(=O)NCc2ccco2)c2ccccc12 ZINC000000807291 471376319 /nfs/dbraw/zinc/37/63/19/471376319.db2.gz TZIZXZPXNNRLAF-GFCCVEGCSA-N 0 0 326.352 2.898 50 0 EFAARN CCc1nc(C)cn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000000816472 471377057 /nfs/dbraw/zinc/37/70/57/471377057.db2.gz YSLZVKDMUUIKMK-UHFFFAOYSA-N 0 0 344.820 2.662 50 0 EFAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)c(OC)c1 ZINC000000908814 471377202 /nfs/dbraw/zinc/37/72/02/471377202.db2.gz PZMRLKBQFNHVNV-OAHLLOKOSA-N 0 0 348.399 2.673 50 0 EFAARN O=C(NCc1ccccc1)[C@@H](C(=O)c1ccccc1)n1ccccc1=O ZINC000000819439 471377340 /nfs/dbraw/zinc/37/73/40/471377340.db2.gz WCKKRCFWPGOFLT-LJQANCHMSA-N 0 0 346.386 2.589 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 ZINC000000873298 471377695 /nfs/dbraw/zinc/37/76/95/471377695.db2.gz CUWMOEXMPNTWER-UHFFFAOYSA-N 0 0 337.423 2.916 50 0 EFAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O ZINC000000982508 471378328 /nfs/dbraw/zinc/37/83/28/471378328.db2.gz DCFDAOHEADCAJL-XNFYSYIQSA-N 0 0 335.381 2.601 50 0 EFAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000001059116 471379670 /nfs/dbraw/zinc/37/96/70/471379670.db2.gz MRWLGAZAGZAXAA-GFCCVEGCSA-N 0 0 325.320 2.676 50 0 EFAARN Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001053662 471379741 /nfs/dbraw/zinc/37/97/41/471379741.db2.gz JOBIPKPQTXZKDQ-UHFFFAOYSA-N 0 0 334.397 2.625 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cccc(OC)c1 ZINC000001025422 471379885 /nfs/dbraw/zinc/37/98/85/471379885.db2.gz OVPPZSJXYJOULX-OAHLLOKOSA-N 0 0 346.408 2.518 50 0 EFAARN Cc1nc(NC(=O)c2c(F)cccc2F)sc1C(=O)N(C)C ZINC000001054819 471379899 /nfs/dbraw/zinc/37/98/99/471379899.db2.gz XPRILLPYKLYJEF-UHFFFAOYSA-N 0 0 325.340 2.684 50 0 EFAARN CC(=O)c1ccc(N2CCN(C(=O)Cc3cccs3)CC2)cc1 ZINC000001055336 471380134 /nfs/dbraw/zinc/38/01/34/471380134.db2.gz JRJXDYIUFGONRI-UHFFFAOYSA-N 0 0 328.437 2.842 50 0 EFAARN O=C(c1cccc(F)c1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000001070085 471380853 /nfs/dbraw/zinc/38/08/53/471380853.db2.gz XUNPWKQPBBGGRF-MRXNPFEDSA-N 0 0 331.368 2.783 50 0 EFAARN CC(C)(C)Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 ZINC000001097237 471380942 /nfs/dbraw/zinc/38/09/42/471380942.db2.gz QTJPMFLXDKKYPP-UHFFFAOYSA-N 0 0 348.247 2.964 50 0 EFAARN Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1 ZINC000001075983 471381411 /nfs/dbraw/zinc/38/14/11/471381411.db2.gz VRRUXVDRYAOJMV-UHFFFAOYSA-N 0 0 333.398 2.627 50 0 EFAARN COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000001076084 471381584 /nfs/dbraw/zinc/38/15/84/471381584.db2.gz NGDYFHLNWQOAOJ-UHFFFAOYSA-N 0 0 339.750 2.998 50 0 EFAARN Cc1c(C)n(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000001169868 471381893 /nfs/dbraw/zinc/38/18/93/471381893.db2.gz MIFUWKLBFFZBEJ-HNNXBMFYSA-N 0 0 348.402 2.915 50 0 EFAARN O=C1OCC[C@H]1Sc1nnc(-c2cccc(Br)c2)o1 ZINC000001111202 471382284 /nfs/dbraw/zinc/38/22/84/471382284.db2.gz IHEGCGKUCFDNKE-SECBINFHSA-N 0 0 341.186 2.907 50 0 EFAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O ZINC000001129473 471382586 /nfs/dbraw/zinc/38/25/86/471382586.db2.gz RJKKDQMUKAJIDH-VAENJDROSA-N 0 0 330.365 2.766 50 0 EFAARN CC(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000001125295 471382836 /nfs/dbraw/zinc/38/28/36/471382836.db2.gz MCBKKBSCGBFKCQ-UHFFFAOYSA-N 0 0 335.363 2.628 50 0 EFAARN CN1O[C@H](c2ccccn2)C[C@@H]1[C@@H]1C[C@H](c2ccccn2)ON1C ZINC000001248044 471383685 /nfs/dbraw/zinc/38/36/85/471383685.db2.gz XMGVSBZNCGEFPA-FZDBZEDMSA-N 0 0 326.400 2.530 50 0 EFAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 ZINC000001288093 471385283 /nfs/dbraw/zinc/38/52/83/471385283.db2.gz LGRNUNRSWUFSQJ-UHFFFAOYSA-N 0 0 333.727 2.864 50 0 EFAARN O=c1[nH]nc2ccc(SCc3cccc(C(F)(F)F)c3)nn21 ZINC000001395705 471388122 /nfs/dbraw/zinc/38/81/22/471388122.db2.gz LFHYTZDZQIPWRG-UHFFFAOYSA-N 0 0 326.303 2.729 50 0 EFAARN O=c1c(-c2ccnn2-c2cccc(Cl)c2)cnc2n1CCS2 ZINC000001393631 471388259 /nfs/dbraw/zinc/38/82/59/471388259.db2.gz JPFQNLQRZOXECE-UHFFFAOYSA-N 0 0 330.800 2.855 50 0 EFAARN CCOC(=O)n1c2ccccc2n(Cc2ccc(OC)cc2)c1=O ZINC000001397823 471388267 /nfs/dbraw/zinc/38/82/67/471388267.db2.gz DOPADPSFGUKWDI-UHFFFAOYSA-N 0 0 326.352 2.865 50 0 EFAARN COC(=O)c1cc2c(nc(N)nc2N(C)Cc2ccccc2)s1 ZINC000001387162 471388324 /nfs/dbraw/zinc/38/83/24/471388324.db2.gz MXGVRTYKKADKCT-UHFFFAOYSA-N 0 0 328.397 2.697 50 0 EFAARN CCOC(=O)c1cnn(C(=O)c2ccc(Cl)cc2Cl)c1N ZINC000001394487 471388562 /nfs/dbraw/zinc/38/85/62/471388562.db2.gz SBZSJPGBFWYKFP-UHFFFAOYSA-N 0 0 328.155 2.637 50 0 EFAARN O=S(=O)(NCc1ccc(Cl)cc1)NCc1ccccc1F ZINC000001387520 471388993 /nfs/dbraw/zinc/38/89/93/471388993.db2.gz BMWBCNTWAKJOST-UHFFFAOYSA-N 0 0 328.796 2.603 50 0 EFAARN Cc1ccc(NC(=O)CN2C(=O)OC3(CCCCC3)[C@@]2(C)O)cc1 ZINC000001422283 471389430 /nfs/dbraw/zinc/38/94/30/471389430.db2.gz DWHMTRCTVBQESY-QGZVFWFLSA-N 0 0 332.400 2.797 50 0 EFAARN O=C(CSc1ncnc2ccccc21)NCC(=O)c1ccccc1 ZINC000001422646 471389482 /nfs/dbraw/zinc/38/94/82/471389482.db2.gz PFNRXJVMHDLRAO-UHFFFAOYSA-N 0 0 337.404 2.721 50 0 EFAARN O=S(=O)(C[C@H](O)COc1ccccc1Cl)c1ccc(F)cc1 ZINC000001399270 471389665 /nfs/dbraw/zinc/38/96/65/471389665.db2.gz XRELGQVQVZWNKG-GFCCVEGCSA-N 0 0 344.791 2.693 50 0 EFAARN CNC(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000001400059 471389783 /nfs/dbraw/zinc/38/97/83/471389783.db2.gz FSWAVOWDVZBPQU-UHFFFAOYSA-N 0 0 344.720 2.928 50 0 EFAARN Cc1cc(C)n(-c2nc(C)nc(C)c2I)n1 ZINC000001403936 471389798 /nfs/dbraw/zinc/38/97/98/471389798.db2.gz XCWCZNBYNVPHIP-UHFFFAOYSA-N 0 0 328.157 2.501 50 0 EFAARN O=C(OCC1c2ccccc2-c2ccccc21)N1CCO[C@H](CO)C1 ZINC000001435911 471390447 /nfs/dbraw/zinc/39/04/47/471390447.db2.gz RHLNPNGKORBWJY-AWEZNQCLSA-N 0 0 339.391 2.629 50 0 EFAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccco1 ZINC000001437006 471390855 /nfs/dbraw/zinc/39/08/55/471390855.db2.gz UNNYXBPVHBQHRU-HNNXBMFYSA-N 0 0 328.393 2.773 50 0 EFAARN CC1(C)OC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@]1(C)O ZINC000001432048 471391260 /nfs/dbraw/zinc/39/12/60/471391260.db2.gz MFKLLAQUAVKHSB-AWEZNQCLSA-N 0 0 346.305 2.583 50 0 EFAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1cnc2ccccc21 ZINC000001430438 471391335 /nfs/dbraw/zinc/39/13/35/471391335.db2.gz URFFBDGQAMNLDG-HNNXBMFYSA-N 0 0 340.379 2.687 50 0 EFAARN CCc1ccc(O[C@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1 ZINC000001460489 471392663 /nfs/dbraw/zinc/39/26/63/471392663.db2.gz STGJQSNAOHACSI-BDJLRTHQSA-N 0 0 326.343 2.578 50 0 EFAARN O=C1c2ccccc2C(=O)N1C[C@H](O)COc1cccc2ccccc21 ZINC000001643436 471394491 /nfs/dbraw/zinc/39/44/91/471394491.db2.gz ANFLIXLNSGXOAS-HNNXBMFYSA-N 0 0 347.370 2.876 50 0 EFAARN O=C(Cn1c2ccccc2nc1NCCCO)c1ccc(F)cc1 ZINC000001775642 471397455 /nfs/dbraw/zinc/39/74/55/471397455.db2.gz DWWDGCCLXKOFGY-UHFFFAOYSA-N 0 0 327.359 2.853 50 0 EFAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(C)CC3)C2=O)cc1 ZINC000001805742 471397612 /nfs/dbraw/zinc/39/76/12/471397612.db2.gz PRGQGGAAVQYFHH-KRWDZBQOSA-N 0 0 330.428 2.839 50 0 EFAARN CCOC(=O)C(C=Nc1ccc(Br)cc1)C(=O)OCC ZINC000001807582 471398245 /nfs/dbraw/zinc/39/82/45/471398245.db2.gz CZRWKFPNRGCSND-UHFFFAOYSA-N 0 0 342.189 2.871 50 0 EFAARN COc1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000001774450 471398431 /nfs/dbraw/zinc/39/84/31/471398431.db2.gz YGICUWFEYJKJJM-UHFFFAOYSA-N 0 0 339.347 2.538 50 0 EFAARN S=C1N[C@H](c2ccccc2)N2C(=S)N[C@H](c3ccccc3)N12 ZINC000001811704 471399081 /nfs/dbraw/zinc/39/90/81/471399081.db2.gz LRGBKQAXMKYMHJ-KBPBESRZSA-N 0 0 326.450 2.679 50 0 EFAARN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCC(C)CC2)s1 ZINC000001884083 471399507 /nfs/dbraw/zinc/39/95/07/471399507.db2.gz BVUZEIDOQPQMKB-UHFFFAOYSA-N 0 0 338.477 2.714 50 0 EFAARN COc1ccc(NC(=O)[C@H](C)n2c(C)cc(C)nc2=O)cc1Cl ZINC000001994272 471400523 /nfs/dbraw/zinc/40/05/23/471400523.db2.gz AHAPNQYMLWVWKD-NSHDSACASA-N 0 0 335.791 2.722 50 0 EFAARN COC(=O)[C@H](CCSC)NC(=O)N[C@H](C)CCc1ccccc1 ZINC000002103280 471401174 /nfs/dbraw/zinc/40/11/74/471401174.db2.gz WTEFTFLGKQIRAL-HIFRSBDPSA-N 0 0 338.473 2.602 50 0 biogenic EFAARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000002057292 471401280 /nfs/dbraw/zinc/40/12/80/471401280.db2.gz PEXFWNKJAYDMNU-MRXNPFEDSA-N 0 0 348.399 2.714 50 0 EFAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccn3)CC2=O)cc1 ZINC000002065672 471401782 /nfs/dbraw/zinc/40/17/82/471401782.db2.gz MNGIZVFAZVPSAC-CQSZACIVSA-N 0 0 339.395 2.862 50 0 EFAARN COc1ccccc1-c1noc(CCC(=O)NCc2ccccc2)n1 ZINC000002196341 471402295 /nfs/dbraw/zinc/40/22/95/471402295.db2.gz ZBCQTVBHINOAKH-UHFFFAOYSA-N 0 0 337.379 2.994 50 0 EFAARN COCCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000002140768 471402818 /nfs/dbraw/zinc/40/28/18/471402818.db2.gz LECSFNMGOOWCIW-UHFFFAOYSA-N 0 0 332.787 2.969 50 0 EFAARN Cc1nnc(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)s1 ZINC000002191157 471403284 /nfs/dbraw/zinc/40/32/84/471403284.db2.gz JGBZQPUPUIAPST-UHFFFAOYSA-N 0 0 345.457 2.958 50 0 EFAARN O=C(CCNC(=O)OCc1ccccc1)NCCc1ccccc1 ZINC000002278660 471404853 /nfs/dbraw/zinc/40/48/53/471404853.db2.gz CBWIVJRBUMRHBP-UHFFFAOYSA-N 0 0 326.396 2.662 50 0 EFAARN CC(C)Cc1nc2oc3c(ncnc3NCCO)c2c2c1CCC2 ZINC000002334291 471405454 /nfs/dbraw/zinc/40/54/54/471405454.db2.gz TYVQNOLHDLJNKR-UHFFFAOYSA-N 0 0 326.400 2.862 50 0 EFAARN 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471458364 /nfs/dbraw/zinc/45/83/64/471458364.db2.gz RJPRWCRIGUHWIX-INIZCTEOSA-N 0 0 342.399 2.919 50 0 EFAARN CCN(CC)C(=O)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004041198 471458372 /nfs/dbraw/zinc/45/83/72/471458372.db2.gz JSJFBZNXGZNREY-OYRIPWCXSA-N 0 0 342.439 2.664 50 0 biogenic EFAARN CC(=O)c1ccc(N2CCC(C(=O)NCc3ccncc3)CC2)cc1 ZINC000004052228 471458720 /nfs/dbraw/zinc/45/87/20/471458720.db2.gz QNZQKCDTLUBLSX-UHFFFAOYSA-N 0 0 337.423 2.817 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004122997 471459738 /nfs/dbraw/zinc/45/97/38/471459738.db2.gz KRLYHCLWTURWLZ-UHFFFAOYSA-N 0 0 342.395 2.793 50 0 EFAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000004139770 471460004 /nfs/dbraw/zinc/46/00/04/471460004.db2.gz ATJPKASFYTUWJX-UHFFFAOYSA-N 0 0 346.452 2.596 50 0 EFAARN Cc1ccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004185640 471461050 /nfs/dbraw/zinc/46/10/50/471461050.db2.gz ZJJUAECXWMIZHI-OAHLLOKOSA-N 0 0 349.477 2.886 50 0 EFAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000004348261 471463999 /nfs/dbraw/zinc/46/39/99/471463999.db2.gz NJLGMWUUELXFKA-UHFFFAOYSA-N 0 0 329.421 2.830 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000004454637 471465305 /nfs/dbraw/zinc/46/53/05/471465305.db2.gz QABSANMQMALING-UHFFFAOYSA-N 0 0 331.803 2.706 50 0 EFAARN O=c1c(Cl)c(N2CCOCC2)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000004476183 471465485 /nfs/dbraw/zinc/46/54/85/471465485.db2.gz VKFXUAVCQOAYSY-UHFFFAOYSA-N 0 0 349.862 2.659 50 0 EFAARN O=c1[nH]ncc(NN=Cc2ccccc2Br)c1Cl ZINC000004423430 471465734 /nfs/dbraw/zinc/46/57/34/471465734.db2.gz OYSFBLLHMARREH-UHFFFAOYSA-N 0 0 327.569 2.632 50 0 EFAARN Cc1cccc(-c2noc(CN3CCN(c4ccccn4)CC3)n2)c1 ZINC000004487190 471467140 /nfs/dbraw/zinc/46/71/40/471467140.db2.gz NESBNTXEOAJXGD-UHFFFAOYSA-N 0 0 335.411 2.762 50 0 EFAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N ZINC000004586017 471469224 /nfs/dbraw/zinc/46/92/24/471469224.db2.gz JFKJVEYKULGZOM-UHFFFAOYSA-N 0 0 345.453 2.760 50 0 EFAARN CCOC(=O)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004599717 471469634 /nfs/dbraw/zinc/46/96/34/471469634.db2.gz YULMIFQYMRMFGE-UHFFFAOYSA-N 0 0 334.460 2.940 50 0 EFAARN CCOCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004757975 471473511 /nfs/dbraw/zinc/47/35/11/471473511.db2.gz NHZRFIQFFZKJKU-UHFFFAOYSA-N 0 0 330.350 2.781 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 ZINC000004865964 471478246 /nfs/dbraw/zinc/47/82/46/471478246.db2.gz MEACCDYDYGCTLV-UHFFFAOYSA-N 0 0 347.802 2.854 50 0 EFAARN COC(=O)[C@H](CCSC)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004992214 471481381 /nfs/dbraw/zinc/48/13/81/471481381.db2.gz ZETWAMSVKSUKIE-ZZTKBFGJSA-N 0 0 325.474 2.614 50 0 EFAARN CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000005059557 471485669 /nfs/dbraw/zinc/48/56/69/471485669.db2.gz BUIKFTLVHSBYAQ-INIZCTEOSA-N 0 0 331.416 2.597 50 0 EFAARN COc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1F ZINC000005148717 471487828 /nfs/dbraw/zinc/48/78/28/471487828.db2.gz MJSMCEPUWWMNLC-GFCCVEGCSA-N 0 0 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O=C(Nc1ccon1)c1cccn(Cc2ccccc2Cl)c1=O ZINC000005269947 471496674 /nfs/dbraw/zinc/49/66/74/471496674.db2.gz OBFXYZIWEUKBGY-UHFFFAOYSA-N 0 0 329.743 2.790 50 0 EFAARN C[C@@H]1C[C@H](c2ccccc2)n2nc(NC(=O)c3cccnc3)nc2N1 ZINC000005267642 471496836 /nfs/dbraw/zinc/49/68/36/471496836.db2.gz WWPNGHMJSFJSQG-IUODEOHRSA-N 0 0 334.383 2.719 50 0 EFAARN O=C(CCCn1nnc2ccccc2c1=O)Nc1ccccc1Cl ZINC000005270837 471497305 /nfs/dbraw/zinc/49/73/05/471497305.db2.gz COCPMWKPGKCXBR-UHFFFAOYSA-N 0 0 342.786 2.864 50 0 EFAARN CCSc1ccccc1C(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000005313513 471498323 /nfs/dbraw/zinc/49/83/23/471498323.db2.gz IEGVNUGLGHZCIC-UHFFFAOYSA-N 0 0 339.420 2.965 50 0 EFAARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1F ZINC000005307977 471498802 /nfs/dbraw/zinc/49/88/02/471498802.db2.gz YDNPJNQDONQSIR-UHFFFAOYSA-N 0 0 325.343 2.955 50 0 EFAARN O=C(CCCCCn1nnc2ccccc2c1=O)N1CCCCCC1 ZINC000005324009 471500002 /nfs/dbraw/zinc/50/00/02/471500002.db2.gz MQTCXINCCQXYIM-UHFFFAOYSA-N 0 0 342.443 2.755 50 0 EFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc(F)cc1 ZINC000005339278 471500265 /nfs/dbraw/zinc/50/02/65/471500265.db2.gz KYKUVEJEURURNW-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN CCc1ccc(O)c(-c2cc(C(=O)Nc3nnc(C)s3)n[nH]2)c1 ZINC000005341776 471500758 /nfs/dbraw/zinc/50/07/58/471500758.db2.gz QJXVIGZOHHLTAH-UHFFFAOYSA-N 0 0 329.385 2.757 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000005350530 471501628 /nfs/dbraw/zinc/50/16/28/471501628.db2.gz MKYUKZDJTJSXSB-QGZVFWFLSA-N 0 0 342.326 2.729 50 0 EFAARN O=C(Cc1cccc2ccccc21)Nc1ccc(-n2cnnn2)cc1 ZINC000005457088 471506875 /nfs/dbraw/zinc/50/68/75/471506875.db2.gz WGVALOBPXPRILU-UHFFFAOYSA-N 0 0 329.363 2.997 50 0 EFAARN Cc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000005482957 471507971 /nfs/dbraw/zinc/50/79/71/471507971.db2.gz GEINABBVUVUZBO-HNNXBMFYSA-N 0 0 337.335 2.824 50 0 EFAARN COc1cccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)c1 ZINC000005470337 471508277 /nfs/dbraw/zinc/50/82/77/471508277.db2.gz ZBOVSLDCNHHCJV-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN COc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000005470403 471508458 /nfs/dbraw/zinc/50/84/58/471508458.db2.gz GBBQDYMPGUGZMR-UHFFFAOYSA-N 0 0 347.798 2.864 50 0 EFAARN CC(=O)c1ccc(OC(=O)Cn2c3ccccc3sc2=O)cc1 ZINC000005495728 471509036 /nfs/dbraw/zinc/50/90/36/471509036.db2.gz SUUXUWHAIZTURO-UHFFFAOYSA-N 0 0 327.361 2.871 50 0 EFAARN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2C)cc1 ZINC000005554157 471509480 /nfs/dbraw/zinc/50/94/80/471509480.db2.gz GHVAVUQBEUMKBF-UHFFFAOYSA-N 0 0 346.452 2.919 50 0 EFAARN CC(C)(C)c1ccc(OC[C@H](O)C[S@@](=O)c2ccccn2)cc1 ZINC000005563100 471511026 /nfs/dbraw/zinc/51/10/26/471511026.db2.gz LJMQGOKEKNJUKB-WNSKOXEYSA-N 0 0 333.453 2.927 50 0 EFAARN CCc1nnc(SCC(=O)Nc2ccc(N(CC)CC)cc2)[nH]1 ZINC000005823264 471522860 /nfs/dbraw/zinc/52/28/60/471522860.db2.gz APNZGOPATKBTFJ-UHFFFAOYSA-N 0 0 333.461 2.944 50 0 EFAARN COc1cc(NC(Nc2cc(OC)ncn2)c2ccccc2)ncn1 ZINC000005916105 471525413 /nfs/dbraw/zinc/52/54/13/471525413.db2.gz 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/nfs/dbraw/zinc/53/82/01/471538201.db2.gz VCBOLOIVNQPCAM-NEWSRXKRSA-N 0 0 333.428 2.918 50 0 biogenic EFAARN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000006362244 471542218 /nfs/dbraw/zinc/54/22/18/471542218.db2.gz DMKXMDBDEKEOKF-UHFFFAOYSA-N 0 0 349.408 2.899 50 0 EFAARN CCOc1cccc(C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c1 ZINC000006351588 471542386 /nfs/dbraw/zinc/54/23/86/471542386.db2.gz KAWVZWJWZJFICX-AWEZNQCLSA-N 0 0 334.269 2.506 50 0 EFAARN C[C@@H]1CCc2c(sc3c2-c2nnc(S)n2-c2nnc(S)n2-3)C1 ZINC000006409646 471544512 /nfs/dbraw/zinc/54/45/12/471544512.db2.gz HBJDWRDTANADJF-RXMQYKEDSA-N 0 0 348.482 2.592 50 0 EFAARN O=C(Nc1cccc(Cl)c1Cl)OCCN1CCNC1=S ZINC000006500094 471546772 /nfs/dbraw/zinc/54/67/72/471546772.db2.gz FPLBJENGLKLNEI-UHFFFAOYSA-N 0 0 334.228 2.732 50 0 EFAARN S=C1N=NC(COc2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000006492210 471546781 /nfs/dbraw/zinc/54/67/81/471546781.db2.gz YQASEHAOCMNAIP-UHFFFAOYSA-N 0 0 327.365 2.864 50 0 EFAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)C1 ZINC000006516706 471548540 /nfs/dbraw/zinc/54/85/40/471548540.db2.gz WNCZPIMABVNLJT-RYUDHWBXSA-N 0 0 331.441 2.520 50 0 EFAARN CCn1ncc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c1C ZINC000006634205 471555156 /nfs/dbraw/zinc/55/51/56/471555156.db2.gz GTNJTDOSMMCAHE-UHFFFAOYSA-N 0 0 337.489 2.706 50 0 EFAARN O[C@@](/C=C/c1ccc(Cl)cc1)(Cn1cncn1)c1ccncc1 ZINC000006659437 471556997 /nfs/dbraw/zinc/55/69/97/471556997.db2.gz LNPLFCFWGQGYTQ-JZLODUJNSA-N 0 0 326.787 2.928 50 0 EFAARN CCNC(=O)c1sc2ncc(C(=O)c3ccc(C)cc3)n2c1C ZINC000006661226 471557200 /nfs/dbraw/zinc/55/72/00/471557200.db2.gz CTPGWMDVONUOBK-UHFFFAOYSA-N 0 0 327.409 2.993 50 0 EFAARN CCN(CC)S(=O)(=O)c1ccc(N2CCc3ccccc32)nc1 ZINC000006653049 471557371 /nfs/dbraw/zinc/55/73/71/471557371.db2.gz IRMKDHIUECEMBG-UHFFFAOYSA-N 0 0 331.441 2.806 50 0 EFAARN COc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)cc1OC ZINC000006678009 471558345 /nfs/dbraw/zinc/55/83/45/471558345.db2.gz LZJRYBMIPQFECO-UHFFFAOYSA-N 0 0 339.351 2.684 50 0 EFAARN CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000006671625 471558535 /nfs/dbraw/zinc/55/85/35/471558535.db2.gz ULPMQUSEZYHGMB-GJZGRUSLSA-N 0 0 336.482 2.728 50 0 EFAARN Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000006668176 471558867 /nfs/dbraw/zinc/55/88/67/471558867.db2.gz POALRXOLGGJCBI-UHFFFAOYSA-N 0 0 334.372 2.820 50 0 EFAARN COC(=O)c1ccccc1NC(=O)c1nc(SC)ncc1Cl ZINC000006669814 471558962 /nfs/dbraw/zinc/55/89/62/471558962.db2.gz FRBWUZUTRHUOKS-UHFFFAOYSA-N 0 0 337.788 2.891 50 0 EFAARN COC(=O)c1c2c(sc1NC(=O)NCc1cccnc1)CCC2 ZINC000006673064 471558995 /nfs/dbraw/zinc/55/89/95/471558995.db2.gz CMQSUNDQCCAJPD-UHFFFAOYSA-N 0 0 331.397 2.740 50 0 EFAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCc1cccnc1 ZINC000006697795 471559499 /nfs/dbraw/zinc/55/94/99/471559499.db2.gz QGOQQEUNNMDEIK-UHFFFAOYSA-N 0 0 347.223 2.876 50 0 EFAARN COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000006697303 471559995 /nfs/dbraw/zinc/55/99/95/471559995.db2.gz 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NMYCWUVJEMEZQE-GFCCVEGCSA-N 0 0 340.383 2.886 50 0 EFAARN O=C(CCN1CCCCO1)N1CCO[C@@H](CCCc2ccccc2)C1 ZINC000012758969 471793854 /nfs/dbraw/zinc/79/38/54/471793854.db2.gz RGWXHROFMIEWEU-IBGZPJMESA-N 0 0 346.471 2.654 50 0 EFAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)CO)c(C)c21 ZINC000012895229 471803927 /nfs/dbraw/zinc/80/39/27/471803927.db2.gz LXRQDSMPIKFQDS-NSHDSACASA-N 0 0 343.379 2.504 50 0 biogenic EFAARN Cc1ccc2oc(-c3cc(NC(=O)c4nc[nH]n4)ccc3O)nc2c1 ZINC000013126479 471818132 /nfs/dbraw/zinc/81/81/32/471818132.db2.gz WYAOHFALJGIOIL-UHFFFAOYSA-N 0 0 335.323 2.879 50 0 EFAARN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)cc1 ZINC000013123856 471818188 /nfs/dbraw/zinc/81/81/88/471818188.db2.gz AXWYLFOSJCFRFC-INIZCTEOSA-N 0 0 348.362 2.761 50 0 EFAARN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000013326412 471825872 /nfs/dbraw/zinc/82/58/72/471825872.db2.gz NJABHDAAABYGQP-UHFFFAOYSA-N 0 0 330.211 2.901 50 0 EFAARN Cc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1F ZINC000013325035 471826270 /nfs/dbraw/zinc/82/62/70/471826270.db2.gz QENWMLOVIRXMKA-UHFFFAOYSA-N 0 0 328.391 2.879 50 0 EFAARN Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc32)c1 ZINC000013326707 471826295 /nfs/dbraw/zinc/82/62/95/471826295.db2.gz LJQSQGLSPXUJMW-UHFFFAOYSA-N 0 0 338.367 2.620 50 0 EFAARN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1Br)[C@@H]1CCCO1 ZINC000013331583 471826451 /nfs/dbraw/zinc/82/64/51/471826451.db2.gz VSNGVMGGFMNDEJ-MDZLAQPJSA-N 0 0 342.233 2.900 50 0 EFAARN CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331405 471826619 /nfs/dbraw/zinc/82/66/19/471826619.db2.gz XWURTEVPWZSEOV-UHFFFAOYSA-N 0 0 344.415 2.541 50 0 EFAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCO2)c(C)c1NC(=O)[C@H]1CCCO1 ZINC000013516926 471832650 /nfs/dbraw/zinc/83/26/50/471832650.db2.gz NMYOYKSPQACELR-GASCZTMLSA-N 0 0 346.427 2.847 50 0 EFAARN COc1ccc(Cl)cc1NC(=S)NCCCN1CCCC1=O ZINC000013519878 471832719 /nfs/dbraw/zinc/83/27/19/471832719.db2.gz UESHEZFRPIWCQK-UHFFFAOYSA-N 0 0 341.864 2.648 50 0 EFAARN C[C@@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)Nc1nccs1 ZINC000013549506 471832843 /nfs/dbraw/zinc/83/28/43/471832843.db2.gz PIHUAZOQZCMOGB-RXMQYKEDSA-N 0 0 340.821 2.582 50 0 EFAARN CCOC(=O)CC(=O)Nc1nc([C@H]2COc3ccccc3O2)cs1 ZINC000013569923 471833415 /nfs/dbraw/zinc/83/34/15/471833415.db2.gz MOXNWEWELLSVJT-CYBMUJFWSA-N 0 0 348.380 2.547 50 0 EFAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc32)cc1 ZINC000013572070 471833911 /nfs/dbraw/zinc/83/39/11/471833911.db2.gz FGKQBZUFCZBQAK-JTQLQIEISA-N 0 0 341.396 2.675 50 0 EFAARN O=C(CN1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000013628053 471834393 /nfs/dbraw/zinc/83/43/93/471834393.db2.gz FRPDPTJOQJWNMW-GOSISDBHSA-N 0 0 348.402 2.911 50 0 EFAARN O=S(=O)(NCCCN1CCc2ccccc21)c1ccc(F)cc1 ZINC000013646954 471835782 /nfs/dbraw/zinc/83/57/82/471835782.db2.gz ARDXXMKEDSNAEN-UHFFFAOYSA-N 0 0 334.416 2.557 50 0 EFAARN Cc1ccc(C(=O)N2CCCc3ccccc32)cc1NS(C)(=O)=O ZINC000013673334 471837608 /nfs/dbraw/zinc/83/76/08/471837608.db2.gz OYUCTJSXDOLZSW-UHFFFAOYSA-N 0 0 344.436 2.960 50 0 EFAARN Cn1c(CNC(=O)c2ccc(F)c(Cl)c2)nc2cc(N)ccc21 ZINC000013693391 471838460 /nfs/dbraw/zinc/83/84/60/471838460.db2.gz VBEFJQUMUIFICM-UHFFFAOYSA-N 0 0 332.766 2.878 50 0 EFAARN O=S1(=O)CCN(CCC2=CCCCC2)c2c(F)nc(F)c(F)c21 ZINC000013685748 471838481 /nfs/dbraw/zinc/83/84/81/471838481.db2.gz PWLSRVGASSCYCE-UHFFFAOYSA-N 0 0 346.374 2.983 50 0 EFAARN CC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 ZINC000013697027 471838491 /nfs/dbraw/zinc/83/84/91/471838491.db2.gz IPACHJZIOSVWSW-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN O=C1c2ccccc2N(CCOc2ccc(F)cc2)C2=NCCN21 ZINC000013685623 471838555 /nfs/dbraw/zinc/83/85/55/471838555.db2.gz UFTHUDGSPVDKOR-UHFFFAOYSA-N 0 0 325.343 2.537 50 0 EFAARN O=C(c1cn2cc(Cl)ccc2n1)N1CCN(c2ccccc2)CC1 ZINC000013690733 471838686 /nfs/dbraw/zinc/83/86/86/471838686.db2.gz GPYQQNIVXPSMPL-UHFFFAOYSA-N 0 0 340.814 2.950 50 0 EFAARN CSc1ncccc1C(=O)Nc1ccc2c(c1)N(C(C)=O)CC2 ZINC000013696050 471838802 /nfs/dbraw/zinc/83/88/02/471838802.db2.gz BBXOZGJRCJGDOI-UHFFFAOYSA-N 0 0 327.409 2.965 50 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335.411 2.909 50 0 EFAARN COCCNC(=O)Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000013717174 471841430 /nfs/dbraw/zinc/84/14/30/471841430.db2.gz HNQPGKRQNAKEMC-UHFFFAOYSA-N 0 0 348.349 2.522 50 0 EFAARN CSc1cccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000013737235 471842265 /nfs/dbraw/zinc/84/22/65/471842265.db2.gz AKUVZXZDTVEPTG-UHFFFAOYSA-N 0 0 345.424 2.991 50 0 EFAARN Cc1ccc2c(c1)N(CC(=O)Nc1ccc3cc[nH]c3c1)C(=O)CO2 ZINC000013735312 471842449 /nfs/dbraw/zinc/84/24/49/471842449.db2.gz BHBZYXOWRBWCLR-UHFFFAOYSA-N 0 0 335.363 2.840 50 0 EFAARN Cc1ccc(N2CCN(CC(=O)NCc3ccccc3)C[C@H]2C)cc1 ZINC000013737096 471842663 /nfs/dbraw/zinc/84/26/63/471842663.db2.gz DYRWWNCOZGEWQH-GOSISDBHSA-N 0 0 337.467 2.822 50 0 EFAARN CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000013744884 471842794 /nfs/dbraw/zinc/84/27/94/471842794.db2.gz YZATUOWPBZLKOH-QGZVFWFLSA-N 0 0 339.439 2.896 50 0 EFAARN CCc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000013744950 471843026 /nfs/dbraw/zinc/84/30/26/471843026.db2.gz 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/nfs/dbraw/zinc/85/64/35/471856435.db2.gz BCPMSDFDAPPGOD-GFCCVEGCSA-N 0 0 341.440 2.771 50 0 EFAARN O=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1Cl ZINC000014193216 471860050 /nfs/dbraw/zinc/86/00/50/471860050.db2.gz VKLCWJCOCSIADG-UHFFFAOYSA-N 0 0 345.226 2.771 50 0 EFAARN CCc1ccc([C@H](C)NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000014219112 471863070 /nfs/dbraw/zinc/86/30/70/471863070.db2.gz RPSGVSBEJOJZHF-NSHDSACASA-N 0 0 331.397 2.825 50 0 EFAARN Cc1c(CN(C)S(=O)(=O)c2ccc(CC(C)C)cc2)cnn1C ZINC000014249978 471865757 /nfs/dbraw/zinc/86/57/57/471865757.db2.gz DLJHNAKPRNMOMB-UHFFFAOYSA-N 0 0 335.473 2.748 50 0 EFAARN CN(CC(=O)Oc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014468074 471872587 /nfs/dbraw/zinc/87/25/87/471872587.db2.gz ZKVFZIZWNNQGLC-UHFFFAOYSA-N 0 0 339.800 2.566 50 0 EFAARN Cc1ccc([C@@H](C)CCN2CC(=O)N(C3CCCCC3)C[C@H](O)C2)o1 ZINC000014536384 471874307 /nfs/dbraw/zinc/87/43/07/471874307.db2.gz XWIKXERSJXTEMI-MAUKXSAKSA-N 0 0 348.487 2.919 50 0 EFAARN COC(=O)[C@@H]1C[C@H](Oc2ccc(OCc3ccccc3)cc2)CN1 ZINC000014632563 471876617 /nfs/dbraw/zinc/87/66/17/471876617.db2.gz RZVGUEIWAOZIDM-ROUUACIJSA-N 0 0 327.380 2.548 50 0 EFAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(F)cc1Cl ZINC000014796673 471879351 /nfs/dbraw/zinc/87/93/51/471879351.db2.gz NWXOIEDFTNMUCS-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN O=C(c1cccnc1)[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000014955970 471882550 /nfs/dbraw/zinc/88/25/50/471882550.db2.gz OVHGQQUMGHUGQW-OAHLLOKOSA-N 0 0 349.394 2.622 50 0 EFAARN Cc1cc2cccc(C(=O)N3CC[C@]4(C3)CCCN(C)C4=O)c2o1 ZINC000014957177 471882676 /nfs/dbraw/zinc/88/26/76/471882676.db2.gz ZNRWCYOPFPZMFB-IBGZPJMESA-N 0 0 326.396 2.826 50 0 EFAARN Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)[C@@H]1CCOC1)C2 ZINC000014997736 471884455 /nfs/dbraw/zinc/88/44/55/471884455.db2.gz NPHLGXSFKQOXGD-ZBFHGGJFSA-N 0 0 338.407 2.513 50 0 EFAARN COc1cccc(-c2noc3c2CN(C(=O)c2cc(C)on2)CC3)c1 ZINC000014976403 471884471 /nfs/dbraw/zinc/88/44/71/471884471.db2.gz PMZKHPCMULTQSX-UHFFFAOYSA-N 0 0 339.351 2.845 50 0 EFAARN CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000014974762 471884542 /nfs/dbraw/zinc/88/45/42/471884542.db2.gz NAYXOCIKGJJKEJ-GOSISDBHSA-N 0 0 336.382 2.716 50 0 EFAARN CNC(=O)Cc1c(C)n(Cc2ccccc2F)c2c1C(=O)CCC2 ZINC000014978964 471884849 /nfs/dbraw/zinc/88/48/49/471884849.db2.gz SETWGSYYESGSNJ-UHFFFAOYSA-N 0 0 328.387 2.791 50 0 EFAARN Cc1c(C(=O)N2CCCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000015008083 471885615 /nfs/dbraw/zinc/88/56/15/471885615.db2.gz UYUNODDHQAZZEK-UHFFFAOYSA-N 0 0 339.424 2.935 50 0 EFAARN CCOC(=O)c1cc(C(=O)c2ccccc2)c(SC)n(CC)c1=O ZINC000015021564 471885813 /nfs/dbraw/zinc/88/58/13/471885813.db2.gz IWLYCGOOGZEIEV-UHFFFAOYSA-N 0 0 345.420 2.998 50 0 EFAARN CSc1nnc(CN(C)Cc2ccc(C)o2)n1C[C@H]1CCCO1 ZINC000015072685 471887938 /nfs/dbraw/zinc/88/79/38/471887938.db2.gz ZXCKJRVZFXQWRF-CYBMUJFWSA-N 0 0 336.461 2.712 50 0 EFAARN CN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 ZINC000015067453 471887993 /nfs/dbraw/zinc/88/79/93/471887993.db2.gz SDIUTPMCXYVBOY-HNNXBMFYSA-N 0 0 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O=C(Cn1ccccc1=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151740491 473489247 /nfs/dbraw/zinc/48/92/47/473489247.db2.gz QQEIWBQSXAIAEK-INIZCTEOSA-N 0 0 338.407 2.801 50 0 EFAARN Cc1nc(CN2CCCN(C(=O)Cc3cccs3)CC2)cs1 ZINC000165839144 473516207 /nfs/dbraw/zinc/51/62/07/473516207.db2.gz UKNVGHDTJRHHAG-UHFFFAOYSA-N 0 0 335.498 2.790 50 0 EFAARN NN1C(=O)c2ccccc2C12c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000169425842 473547888 /nfs/dbraw/zinc/54/78/88/473547888.db2.gz CHYVTSCIBXXQJT-UHFFFAOYSA-N 0 0 346.342 2.825 50 0 EFAARN Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccoc4)n3n2)cc1 ZINC000169778420 473548613 /nfs/dbraw/zinc/54/86/13/473548613.db2.gz PJHBIXWIMZYPOC-UHFFFAOYSA-N 0 0 333.351 2.623 50 0 EFAARN CCOc1cc(=O)n2c(c1C(=O)Nc1ccccc1OC)CCCC2 ZINC000169752927 473548661 /nfs/dbraw/zinc/54/86/61/473548661.db2.gz WKWFOYWZHIJZOJ-UHFFFAOYSA-N 0 0 342.395 2.844 50 0 EFAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(c2ccccc2)=NO3)s1 ZINC000169760459 473548889 /nfs/dbraw/zinc/54/88/89/473548889.db2.gz HRCOMPDPMAKTGQ-UHFFFAOYSA-N 0 0 341.436 2.970 50 0 EFAARN O=C(NCc1nnc2ccc(-c3ccccc3)nn21)c1ccccc1F ZINC000169781423 473549020 /nfs/dbraw/zinc/54/90/20/473549020.db2.gz MDUXFSOAWWEIEF-UHFFFAOYSA-N 0 0 347.353 2.860 50 0 EFAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)cc1 ZINC000169765935 473549106 /nfs/dbraw/zinc/54/91/06/473549106.db2.gz USAPBWBTDPSHNN-IBGZPJMESA-N 0 0 349.434 2.937 50 0 EFAARN COc1ccccc1[C@@H]1NC(=O)N(CCC(C)C)C2=C1C(=O)OC2 ZINC000169760806 473549210 /nfs/dbraw/zinc/54/92/10/473549210.db2.gz XPWMSTARUQBIRH-INIZCTEOSA-N 0 0 330.384 2.619 50 0 EFAARN O=C(NCc1nnc2ccc(-c3ccccc3)nn21)C1CCCCC1 ZINC000169778377 473549291 /nfs/dbraw/zinc/54/92/91/473549291.db2.gz MHVDOXBYRUSXLP-UHFFFAOYSA-N 0 0 335.411 2.988 50 0 EFAARN Cc1ccc(C2=NOC3(CCN(C(=O)c4ccco4)CC3)N2)cc1 ZINC000169754988 473549395 /nfs/dbraw/zinc/54/93/95/473549395.db2.gz ANHJLGCQFAGZTF-UHFFFAOYSA-N 0 0 325.368 2.502 50 0 EFAARN CN(C)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000169896864 473549920 /nfs/dbraw/zinc/54/99/20/473549920.db2.gz FHLWRFCZBNSCJE-UHFFFAOYSA-N 0 0 344.242 2.869 50 0 EFAARN COCCn1c(C(=O)Nc2nnc(CC(C)C)[nH]2)cc2ccccc21 ZINC000170625694 473567553 /nfs/dbraw/zinc/56/75/53/473567553.db2.gz XUDNNIOOBDLFGT-UHFFFAOYSA-N 0 0 341.415 2.857 50 0 EFAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4[nH]cnc4c3)ccc12 ZINC000170625415 473568141 /nfs/dbraw/zinc/56/81/41/473568141.db2.gz LUNQVIJIWJFHQN-UHFFFAOYSA-N 0 0 349.346 2.995 50 0 biogenic EFAARN O=C(c1n[nH]c2c1CCCC2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000192798022 473727910 /nfs/dbraw/zinc/72/79/10/473727910.db2.gz ZSPZNCVNIULPKZ-INIZCTEOSA-N 0 0 329.375 2.641 50 0 EFAARN Cc1c(OCC(=O)Nc2ccncc2)c(=O)ccn1CCC(C)C ZINC000263587009 473787023 /nfs/dbraw/zinc/78/70/23/473787023.db2.gz BBJLXOJCROSWKY-UHFFFAOYSA-N 0 0 329.400 2.615 50 0 EFAARN O=C(COc1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1cccnc1 ZINC000263586541 473787069 /nfs/dbraw/zinc/78/70/69/473787069.db2.gz VNGYIWPLTXIPBS-MRXNPFEDSA-N 0 0 340.379 2.943 50 0 biogenic EFAARN CCN(CC)C(=O)c1nnn2cc(-c3ccc(Cl)cc3)[nH]c(=O)c12 ZINC000263618350 473787334 /nfs/dbraw/zinc/78/73/34/473787334.db2.gz SNNDKQDDHSWVCX-UHFFFAOYSA-N 0 0 345.790 2.632 50 0 EFAARN Fc1ccccc1-c1nnc2ccc(NCC3CCOCC3)nn21 ZINC000194989674 473987827 /nfs/dbraw/zinc/98/78/27/473987827.db2.gz ZOIZTNYBHVNGGA-UHFFFAOYSA-N 0 0 327.363 2.769 50 0 EFAARN Brc1cn2c(I)cnc2s1 ZINC000214476816 474136594 /nfs/dbraw/zinc/13/65/94/474136594.db2.gz IBRNMHJSSNBFEZ-UHFFFAOYSA-N 0 0 328.960 2.763 50 0 EFAARN C[C@@H]1CN(C(=S)SCC(=O)Oc2ccccc2)C[C@@H](C)O1 ZINC000215684366 474137774 /nfs/dbraw/zinc/13/77/74/474137774.db2.gz FORBNRXQSSBBON-VXGBXAGGSA-N 0 0 325.455 2.719 50 0 EFAARN CCn1ncnc1CN1CCC(COc2ccc(OC)cc2)CC1 ZINC000215930273 474139435 /nfs/dbraw/zinc/13/94/35/474139435.db2.gz IZXLNSPXGNCOCY-UHFFFAOYSA-N 0 0 330.432 2.598 50 0 EFAARN COc1ccc2c(c1)[C@@H](NC(=O)c1n[nH]c3c1CCC3)CC(C)(C)O2 ZINC000216489653 474140888 /nfs/dbraw/zinc/14/08/88/474140888.db2.gz IPTWXPGQTUGMFC-HNNXBMFYSA-N 0 0 341.411 2.939 50 0 EFAARN COc1ccc(C(=O)N2CCCC[C@H]2c2cc(C)on2)c(OC)n1 ZINC000219680635 474147959 /nfs/dbraw/zinc/14/79/59/474147959.db2.gz MQKBYOXVJXRTPQ-AWEZNQCLSA-N 0 0 331.372 2.763 50 0 EFAARN O=C(N1CCNC1=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219343036 474148259 /nfs/dbraw/zinc/14/82/59/474148259.db2.gz VSICKQGNZIUKHA-ZDUSSCGKSA-N 0 0 341.383 2.590 50 0 EFAARN C[C@@H]1Cc2cc(C(=O)NCc3ccccc3-n3cncn3)ccc2O1 ZINC000219713963 474148278 /nfs/dbraw/zinc/14/82/78/474148278.db2.gz WFAZXCDRJFLISB-CYBMUJFWSA-N 0 0 334.379 2.521 50 0 EFAARN CCCc1nnsc1C(=O)NCc1nc2cc(OC)ccc2o1 ZINC000219872620 474149250 /nfs/dbraw/zinc/14/92/50/474149250.db2.gz GXIZIDCQAHLFQG-UHFFFAOYSA-N 0 0 332.385 2.570 50 0 EFAARN CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)o1 ZINC000219777063 474149386 /nfs/dbraw/zinc/14/93/86/474149386.db2.gz MFBAYMROXUSNMM-CYBMUJFWSA-N 0 0 328.368 2.808 50 0 EFAARN CCn1ncnc1[C@H](NC(=O)CCc1ccc(F)c(F)c1)C1CC1 ZINC000219854668 474149744 /nfs/dbraw/zinc/14/97/44/474149744.db2.gz GIZDYMUPPMBKBW-MRXNPFEDSA-N 0 0 334.370 2.776 50 0 EFAARN Cc1nc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cs1 ZINC000219995116 474150518 /nfs/dbraw/zinc/15/05/18/474150518.db2.gz FISALXVPAFFEAG-ZQIUZPCESA-N 0 0 344.436 2.628 50 0 EFAARN O[C@H](c1cc2n(n1)CCN(c1nc3ccccc3s1)C2)C1CC1 ZINC000219933069 474150953 /nfs/dbraw/zinc/15/09/53/474150953.db2.gz UEIDFKZIBIGMNY-INIZCTEOSA-N 0 0 326.425 2.956 50 0 EFAARN Cc1nn(CCNC(=O)[C@H](c2ccccc2C)N(C)C)c(C)c1C ZINC000219943339 474151057 /nfs/dbraw/zinc/15/10/57/474151057.db2.gz DUAIGGHHMAXKLD-SFHVURJKSA-N 0 0 328.460 2.536 50 0 EFAARN CCN(CC[NH+]1CCCC1)Cc1cc2c(cc1OC)OCCCO2 ZINC000220114830 474152529 /nfs/dbraw/zinc/15/25/29/474152529.db2.gz SKXMLXHCKTXCLW-UHFFFAOYSA-N 0 0 334.460 2.774 50 0 EFAARN Cc1nc2nc(-c3cccnc3)nn2cc1C(=O)Nc1ccccc1 ZINC000220133639 474152970 /nfs/dbraw/zinc/15/29/70/474152970.db2.gz CTRWCNXWVUGXQJ-UHFFFAOYSA-N 0 0 330.351 2.747 50 0 EFAARN O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccncc1 ZINC000220023998 474152999 /nfs/dbraw/zinc/15/29/99/474152999.db2.gz NSIFPUZNRDDEDS-GXOAENINSA-N 0 0 333.391 2.872 50 0 EFAARN Cc1c[nH]c(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 ZINC000220391746 474153814 /nfs/dbraw/zinc/15/38/14/474153814.db2.gz AGQWCMHTRLXXBL-PUJMQQBBSA-N 0 0 336.395 2.508 50 0 EFAARN CCn1c(C)cc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c1C ZINC000220454896 474154309 /nfs/dbraw/zinc/15/43/09/474154309.db2.gz WUGVLAOSYOFINH-ZIFCJYIRSA-N 0 0 341.455 2.632 50 0 EFAARN Cc1csc(SCC(=O)NC[C@@H]2Cc3ccccc3CN2C)n1 ZINC000220259533 474154427 /nfs/dbraw/zinc/15/44/27/474154427.db2.gz GLHOYBRALLULNA-HNNXBMFYSA-N 0 0 347.509 2.717 50 0 EFAARN Cc1nc(CCNC(=O)c2cccc(OC(F)F)c2)nc2c1CCC2 ZINC000220324317 474154540 /nfs/dbraw/zinc/15/45/40/474154540.db2.gz PZESEIKTOZVCBG-UHFFFAOYSA-N 0 0 347.365 2.848 50 0 EFAARN C[C@H](Oc1ccc(CN2CC[NH+](CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000220416921 474154571 /nfs/dbraw/zinc/15/45/71/474154571.db2.gz TZXUTCCLANZYPY-INIZCTEOSA-N 0 0 346.471 2.846 50 0 EFAARN Cc1ccc(F)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1F ZINC000220386005 474154728 /nfs/dbraw/zinc/15/47/28/474154728.db2.gz XZUHJTNFJQOUFS-KGLIPLIRSA-N 0 0 325.355 2.587 50 0 EFAARN CSCC[C@@H](O)C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 ZINC000220592532 474155622 /nfs/dbraw/zinc/15/56/22/474155622.db2.gz GBOMIBMCKSBGHL-CYBMUJFWSA-N 0 0 336.457 2.856 50 0 EFAARN CCc1noc(C)c1C(=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000220538185 474156631 /nfs/dbraw/zinc/15/66/31/474156631.db2.gz QWIVCGPONSLOIC-QXGSTGNESA-N 0 0 340.423 2.921 50 0 EFAARN CSc1ncccc1C(=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000220689430 474157270 /nfs/dbraw/zinc/15/72/70/474157270.db2.gz AXUNWMJEZHQDFX-MRXNPFEDSA-N 0 0 343.452 2.784 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(C)c(OC)cc1C ZINC000220961335 474157824 /nfs/dbraw/zinc/15/78/24/474157824.db2.gz RPGNAEDQMFXPGT-OAHLLOKOSA-N 0 0 334.441 2.668 50 0 EFAARN Cc1cc(C(F)(F)F)nc(SCC(=O)NCc2ccco2)n1 ZINC000220966811 474157852 /nfs/dbraw/zinc/15/78/52/474157852.db2.gz TZCDFEUAEFQJFD-UHFFFAOYSA-N 0 0 331.319 2.805 50 0 EFAARN O=C(CCc1cccnc1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000220686750 474157983 /nfs/dbraw/zinc/15/79/83/474157983.db2.gz NZBNSNKLYXDSKF-UHFFFAOYSA-N 0 0 344.321 2.659 50 0 EFAARN C[C@H]1CN(C(=O)c2ccccc2OC(F)(F)C(F)F)CCN1C ZINC000221231581 474159154 /nfs/dbraw/zinc/15/91/54/474159154.db2.gz WOSGXGAIHRWKGJ-JTQLQIEISA-N 0 0 334.313 2.699 50 0 EFAARN Cc1cc2c(cc1C(=O)NC[C@H]1OCCc3ccccc31)OCCO2 ZINC000221229042 474159515 /nfs/dbraw/zinc/15/95/15/474159515.db2.gz JGRGINVLFPGBLS-LJQANCHMSA-N 0 0 339.391 2.810 50 0 EFAARN O=C(CCCOc1ccccc1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000221219258 474159568 /nfs/dbraw/zinc/15/95/68/474159568.db2.gz YIVXGFMWUPPMEY-MRXNPFEDSA-N 0 0 333.428 2.690 50 0 EFAARN CSc1nc(C(=O)NC[C@@H]2Cc3ccccc3CN2C)cs1 ZINC000221207925 474160298 /nfs/dbraw/zinc/16/02/98/474160298.db2.gz IOWRNUIQRHKIBX-ZDUSSCGKSA-N 0 0 333.482 2.652 50 0 EFAARN O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000221346417 474160506 /nfs/dbraw/zinc/16/05/06/474160506.db2.gz GMZBTSMOPPCWAF-GOSISDBHSA-N 0 0 338.407 2.838 50 0 EFAARN Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)cn1 ZINC000221353262 474160933 /nfs/dbraw/zinc/16/09/33/474160933.db2.gz NHLVSDVPCUTKJQ-LLVKDONJSA-N 0 0 325.343 2.862 50 0 EFAARN CCn1c(CNC(=O)c2cccc3c2OCCO3)nc2ccccc21 ZINC000221311729 474160946 /nfs/dbraw/zinc/16/09/46/474160946.db2.gz UJRYVEYRBNKQGN-UHFFFAOYSA-N 0 0 337.379 2.757 50 0 EFAARN COc1cccc2ccc(CN3CCn4nc([C@@H](C)O)cc4C3)nc21 ZINC000221351460 474161033 /nfs/dbraw/zinc/16/10/33/474161033.db2.gz UAELFKWUHZGIGH-CYBMUJFWSA-N 0 0 338.411 2.509 50 0 EFAARN O[C@@H](c1cc2n(n1)CCCN(Cc1ccccn1)C2)c1ccccc1 ZINC000221318166 474161039 /nfs/dbraw/zinc/16/10/39/474161039.db2.gz KBYWGGKXLONDHE-HXUWFJFHSA-N 0 0 334.423 2.766 50 0 EFAARN Cc1cc(C)n(CCCC(=O)NCCc2nc3c(cccc3C)[nH]2)n1 ZINC000221437523 474161060 /nfs/dbraw/zinc/16/10/60/474161060.db2.gz GMCYHOZCEWIAAI-UHFFFAOYSA-N 0 0 339.443 2.824 50 0 EFAARN CCc1nccn1CC(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000221319378 474161636 /nfs/dbraw/zinc/16/16/36/474161636.db2.gz PUEXOEWUDGAQCF-UHFFFAOYSA-N 0 0 340.452 2.928 50 0 EFAARN COC(=O)N1CCCC[C@H]1C(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000221391115 474161663 /nfs/dbraw/zinc/16/16/63/474161663.db2.gz ABOACIGJQBCMBT-KRWDZBQOSA-N 0 0 343.427 2.756 50 0 EFAARN CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000222197862 474166709 /nfs/dbraw/zinc/16/67/09/474166709.db2.gz ZZIQDQBOEYBTKD-DLBZAZTESA-N 0 0 330.476 2.607 50 0 EFAARN C[C@@H]1C[C@H](N2CCO[C@@H](c3nc(-c4ccccc4)cs3)C2)C(=O)O1 ZINC000222214403 474167034 /nfs/dbraw/zinc/16/70/34/474167034.db2.gz JVPOPNCUPFWEJL-UHOFOFEASA-N 0 0 344.436 2.887 50 0 EFAARN CSc1ncc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)cn1 ZINC000222327958 474168133 /nfs/dbraw/zinc/16/81/33/474168133.db2.gz WYUJOKLGTCEIKJ-UHFFFAOYSA-N 0 0 347.444 2.725 50 0 EFAARN O=C(CO[C@@H](c1ccccc1)C(F)(F)F)NCC1CCOCC1 ZINC000222299586 474168566 /nfs/dbraw/zinc/16/85/66/474168566.db2.gz WRYLYRHLABIDOI-HNNXBMFYSA-N 0 0 331.334 2.849 50 0 EFAARN O=C(CN1CCOc2ccccc2C1)NCc1cccc2[nH]ccc21 ZINC000222383991 474169232 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474683508 /nfs/dbraw/zinc/68/35/08/474683508.db2.gz VSMVPVMVWLJFRM-UHFFFAOYSA-N 0 0 346.408 2.845 50 0 EFAARN Cc1cc(NC(=O)CN2CCC3(CCC(=O)N3C)CC2)ccc1Cl ZINC000252500775 474683832 /nfs/dbraw/zinc/68/38/32/474683832.db2.gz TVFTUIHUFOHRGU-UHFFFAOYSA-N 0 0 349.862 2.674 50 0 EFAARN CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C1CC1 ZINC000252510468 474689582 /nfs/dbraw/zinc/68/95/82/474689582.db2.gz ZLMDEWJCJFCSBA-UHFFFAOYSA-N 0 0 346.412 2.635 50 0 EFAARN Cc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(C)n1C ZINC000252570437 474697617 /nfs/dbraw/zinc/69/76/17/474697617.db2.gz WTHIEKQNEQTWQS-ZHALLVOQSA-N 0 0 326.440 2.754 50 0 EFAARN CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)o1 ZINC000252572187 474697744 /nfs/dbraw/zinc/69/77/44/474697744.db2.gz YXLNCVKWEYOTRI-JYJNAYRXSA-N 0 0 329.396 2.790 50 0 EFAARN CSCC[C@H](CO)NC(=O)c1cnc2c(cccc2C(C)C)c1O ZINC000252570589 474698115 /nfs/dbraw/zinc/69/81/15/474698115.db2.gz WWEVQTOVFGIPEX-GFCCVEGCSA-N 0 0 348.468 2.908 50 0 EFAARN O=C(N[C@H]1CC[C@H](Oc2ncccn2)CC1)c1cc2ccccn2c1 ZINC000252570979 474698379 /nfs/dbraw/zinc/69/83/79/474698379.db2.gz XMHRLCOFHVFUFV-JCNLHEQBSA-N 0 0 336.395 2.849 50 0 EFAARN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1csc2c1CCCC2 ZINC000273090097 474710032 /nfs/dbraw/zinc/71/00/32/474710032.db2.gz KVFONNCQTPBDQK-UHFFFAOYSA-N 0 0 327.409 2.727 50 0 EFAARN COc1cccc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1 ZINC000253398471 474737290 /nfs/dbraw/zinc/73/72/90/474737290.db2.gz HFXJQYWUAXWHTR-QGZVFWFLSA-N 0 0 346.452 2.808 50 0 EFAARN Cc1n[nH]cc1CNC(=O)COc1cccc2c1ccn2C(C)C ZINC000253400335 474737393 /nfs/dbraw/zinc/73/73/93/474737393.db2.gz DWHJDINDMJEQML-UHFFFAOYSA-N 0 0 326.400 2.949 50 0 EFAARN Cc1noc([C@H]2CN(C(=O)Cn3cccc3)C[C@@H]2c2ccccc2)n1 ZINC000253407080 474738637 /nfs/dbraw/zinc/73/86/37/474738637.db2.gz VOWYSYFYUOCZSZ-SJORKVTESA-N 0 0 336.395 2.589 50 0 EFAARN O=C(CC1(n2cccc2)CCOCC1)Nc1nnc(C2CC2)s1 ZINC000253408295 474740589 /nfs/dbraw/zinc/74/05/89/474740589.db2.gz KPKOFBBMHLCBKD-UHFFFAOYSA-N 0 0 332.429 2.752 50 0 EFAARN Cc1nc(C(=O)N2CC[C@@H](c3noc(-c4ccco4)n3)C2)cs1 ZINC000253473395 474758988 /nfs/dbraw/zinc/75/89/88/474758988.db2.gz USQWQIWQSZTVLX-SNVBAGLBSA-N 0 0 330.369 2.724 50 0 EFAARN O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](n2nccn2)C1 ZINC000253472023 474759638 /nfs/dbraw/zinc/75/96/38/474759638.db2.gz HWMWKDBMWKJTST-CQSZACIVSA-N 0 0 346.390 2.989 50 0 EFAARN COc1cccc(SCC(=O)N2CCC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000268412239 474964845 /nfs/dbraw/zinc/96/48/45/474964845.db2.gz CVSAYAKVCAUXJV-ZDUSSCGKSA-N 0 0 346.456 2.620 50 0 EFAARN C[C@]1(O)C(=O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000257346489 474965561 /nfs/dbraw/zinc/96/55/61/474965561.db2.gz KKPWLTSTAUZZSR-MDRVBTNBSA-N 0 0 348.483 2.889 50 0 EFAARN C[C@]12CC[C@@H]3[C@H](C[C@H](F)[C@@]4(O)C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O ZINC000257355977 474966785 /nfs/dbraw/zinc/96/67/85/474966785.db2.gz DZRJGNYGUDZEKW-XPZKLPTHSA-N 0 0 326.452 2.814 50 0 EFAARN Cc1nc(C(=O)Nc2cccnc2)nn1-c1ccc(OC(F)F)cc1 ZINC000261490654 474979716 /nfs/dbraw/zinc/97/97/16/474979716.db2.gz SUTZBEQPIPMWBD-UHFFFAOYSA-N 0 0 345.309 2.824 50 0 EFAARN O=C(Nc1ccccc1O)c1ncn(-c2ccc(OC(F)F)cc2)n1 ZINC000261490641 474980002 /nfs/dbraw/zinc/98/00/02/474980002.db2.gz ROJYDSWZRMIQJS-UHFFFAOYSA-N 0 0 346.293 2.827 50 0 EFAARN COC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)cn(C)c1=O ZINC000261494841 474981212 /nfs/dbraw/zinc/98/12/12/474981212.db2.gz LJSZMJKEGRCIOC-UHFFFAOYSA-N 0 0 346.692 2.906 50 0 EFAARN CCCc1nnc(SCC(=O)Nc2ccc(C(=O)OC)cc2)o1 ZINC000269001556 475120421 /nfs/dbraw/zinc/12/04/21/475120421.db2.gz BPWGNDTUUNVZAO-UHFFFAOYSA-N 0 0 335.385 2.540 50 0 EFAARN Cn1nccc1[C@H]1CCCCN1C(=O)c1cc2ccccc2oc1=O ZINC000281261883 475142242 /nfs/dbraw/zinc/14/22/42/475142242.db2.gz MGLOMZYEENIULK-MRXNPFEDSA-N 0 0 337.379 2.894 50 0 EFAARN COCc1nc(CN2Cc3cnn(-c4ccccc4)c3C2)cs1 ZINC000339803051 475517092 /nfs/dbraw/zinc/51/70/92/475517092.db2.gz DORBFMPLHCRQRD-UHFFFAOYSA-N 0 0 326.425 2.991 50 0 EFAARN COc1ccc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)nc1 ZINC000338288922 475750470 /nfs/dbraw/zinc/75/04/70/475750470.db2.gz RWGYPDHOCDOWBO-GFCCVEGCSA-N 0 0 332.400 2.967 50 0 EFAARN O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1n[nH]c2c1CCC2 ZINC000334159278 476122973 /nfs/dbraw/zinc/12/29/73/476122973.db2.gz RGODFGPACIQREA-CCEZHUSRSA-N 0 0 337.376 2.820 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)Nc2cc(-n3cnnc3)ccc2C)C1 ZINC000299764274 476151666 /nfs/dbraw/zinc/15/16/66/476151666.db2.gz ZAYNWVIQSCEKES-MRXNPFEDSA-N 0 0 343.431 2.999 50 0 EFAARN CC(C)[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 ZINC000299773670 476152947 /nfs/dbraw/zinc/15/29/47/476152947.db2.gz FDQNHYJLASYUOT-GOSISDBHSA-N 0 0 345.487 2.930 50 0 EFAARN CCCNC(=O)CNC(=O)c1cccc(-c2cccc(N(C)C)c2)c1 ZINC000299769460 476153746 /nfs/dbraw/zinc/15/37/46/476153746.db2.gz RQXUFKJNOBBWSA-UHFFFAOYSA-N 0 0 339.439 2.676 50 0 EFAARN Cc1cc(C)n(CC2(CNc3cc([C@H]4CCOC4)nc(C)n3)CC2)n1 ZINC000299774496 476153956 /nfs/dbraw/zinc/15/39/56/476153956.db2.gz JPUDXTOVWVLWNE-INIZCTEOSA-N 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/nfs/dbraw/zinc/80/28/44/476802844.db2.gz QJVDWYKZAIHJKX-QGZVFWFLSA-N 0 0 347.411 2.828 50 0 EFAARN O=C(NCCc1ccc(-c2ccoc2)s1)C(=O)NCc1ccco1 ZINC000390832461 476803631 /nfs/dbraw/zinc/80/36/31/476803631.db2.gz ZOKNGWFYKSYTCD-UHFFFAOYSA-N 0 0 344.392 2.576 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCn2nc(C3CC3)cc2C1 ZINC000390832397 476803854 /nfs/dbraw/zinc/80/38/54/476803854.db2.gz ZFZXKTJFDNQVPO-QHHAFSJGSA-N 0 0 337.379 2.545 50 0 EFAARN CSCC[C@@H](C(=O)Nc1n[nH]c(-c2ccco2)n1)n1cccc1 ZINC000409413581 476983548 /nfs/dbraw/zinc/98/35/48/476983548.db2.gz IXWSSDCKUKTLGN-NSHDSACASA-N 0 0 331.401 2.799 50 0 EFAARN Cc1c(OCC(=O)Nc2cccnc2)c(=O)ccn1CCC(C)C ZINC000409413143 476984582 /nfs/dbraw/zinc/98/45/82/476984582.db2.gz AKZFZLVODATTOD-UHFFFAOYSA-N 0 0 329.400 2.615 50 0 EFAARN CCc1nc(C)c(C(=O)Nc2ccccc2CN2CCOCC2)o1 ZINC000431348836 477014214 /nfs/dbraw/zinc/01/42/14/477014214.db2.gz KGERMFZBXRFWAB-UHFFFAOYSA-N 0 0 329.400 2.630 50 0 EFAARN CCCc1cc(CNC(=O)N(C)CCCn2nc(C)cc2C)on1 ZINC000426412791 477706955 /nfs/dbraw/zinc/70/69/55/477706955.db2.gz SPXDNGNRFWRVMJ-UHFFFAOYSA-N 0 0 333.436 2.672 50 0 EFAARN Cc1nc(NCCc2cnn(-c3ccccc3)c2)cc([C@H]2CCOC2)n1 ZINC000426442499 477709713 /nfs/dbraw/zinc/70/97/13/477709713.db2.gz HGYMIPCLTVWBKM-KRWDZBQOSA-N 0 0 349.438 3.129 50 0 EFAARN Cc1nnc(SCCNC(=O)N(C)Cc2cccs2)s1 ZINC000426444673 477710544 /nfs/dbraw/zinc/71/05/44/477710544.db2.gz RAQSKLJQLYCJLR-UHFFFAOYSA-N 0 0 328.488 2.842 50 0 EFAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)Nc2cccc3nn(C)nc32)c1 ZINC000426444377 477710787 /nfs/dbraw/zinc/71/07/87/477710787.db2.gz BLUQSIAOHYUQAQ-CYBMUJFWSA-N 0 0 338.415 2.767 50 0 EFAARN COc1cccc(OCCCN(C)c2cc([C@H]3CCOC3)ncn2)c1 ZINC000426438541 477710973 /nfs/dbraw/zinc/71/09/73/477710973.db2.gz FYKXQWMUCCNUIA-HNNXBMFYSA-N 0 0 343.427 2.894 50 0 EFAARN O=C(c1ccnc(-c2cc(F)cc3cccnc32)c1)N1CCOCC1 ZINC000426522856 477713468 /nfs/dbraw/zinc/71/34/68/477713468.db2.gz INCYOBUUIWGFDJ-UHFFFAOYSA-N 0 0 337.354 2.908 50 0 EFAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1onc2c1CCCC2 ZINC000426519273 477714059 /nfs/dbraw/zinc/71/40/59/477714059.db2.gz PHVXCSQYDLDUOZ-UHFFFAOYSA-N 0 0 339.395 2.610 50 0 EFAARN CNC(=O)C1(NC(=O)NCc2cccc(SC)c2)CCCCC1 ZINC000426533773 477714809 /nfs/dbraw/zinc/71/48/09/477714809.db2.gz KEZGIUMMEMMWTI-UHFFFAOYSA-N 0 0 335.473 2.657 50 0 EFAARN Cc1cc(C)c(CNC(=O)N2CCN(C)C(=O)[C@H]2C(C)C)c(C)c1 ZINC000426527077 477715928 /nfs/dbraw/zinc/71/59/28/477715928.db2.gz VYHGILCXIHMIMF-QGZVFWFLSA-N 0 0 331.460 2.620 50 0 EFAARN Cc1ccc(O)c(-c2cccc(C(=O)NCCNC(=O)C(C)C)c2)c1 ZINC000426538366 477717417 /nfs/dbraw/zinc/71/74/17/477717417.db2.gz JZYBCEPQVHWLPI-UHFFFAOYSA-N 0 0 340.423 2.870 50 0 EFAARN O=C(c1[nH]cnc1-c1ccccc1)N1CCC[C@@H](c2ccncn2)C1 ZINC000426547699 477718305 /nfs/dbraw/zinc/71/83/05/477718305.db2.gz WJUDOTJSXRYTOP-OAHLLOKOSA-N 0 0 333.395 2.887 50 0 EFAARN Cc1n[nH]c(C)c1CCCNC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000426544403 477719074 /nfs/dbraw/zinc/71/90/74/477719074.db2.gz OUVBLOQFHFOQIP-SFHVURJKSA-N 0 0 342.443 2.742 50 0 EFAARN COCCN(Cc1nccs1)C(=O)c1c[nH]nc1-c1cccs1 ZINC000426550639 477719675 /nfs/dbraw/zinc/71/96/75/477719675.db2.gz OQTXYACYCOXZGP-UHFFFAOYSA-N 0 0 348.453 2.884 50 0 EFAARN CCc1ncc2c(n1)CN(C(=O)c1cnc(C)nc1-c1ccccc1)C2 ZINC000426581011 477721513 /nfs/dbraw/zinc/72/15/13/477721513.db2.gz MMNJTSKQLCNWEL-UHFFFAOYSA-N 0 0 345.406 2.960 50 0 EFAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)c1onc3c1CCCC3)C2 ZINC000426580674 477721892 /nfs/dbraw/zinc/72/18/92/477721892.db2.gz GMOHSTLWCAFONZ-GFCCVEGCSA-N 0 0 342.395 2.543 50 0 EFAARN O=C([O-])Cn1ccc([C@@H]2CCC[N@H+](CCSc3ccccc3)C2)n1 ZINC000426580946 477721992 /nfs/dbraw/zinc/72/19/92/477721992.db2.gz JIGPFJHSFRLWKO-OAHLLOKOSA-N 0 0 345.468 2.939 50 0 EFAARN COc1ccc2[nH]c(CNc3cc([C@@H]4CCOC4)nc(C)n3)cc2c1 ZINC000426590021 477722968 /nfs/dbraw/zinc/72/29/68/477722968.db2.gz RVMSIAHVTVZEAT-CYBMUJFWSA-N 0 0 338.411 3.391 50 0 EFAARN CCCCN1CCN(C(=O)Nc2cc(N(C)C)ccc2C)CC1=O ZINC000426589928 477724064 /nfs/dbraw/zinc/72/40/64/477724064.db2.gz FDGILOPWUPZTBZ-UHFFFAOYSA-N 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COCCOCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067192874 215123037 /nfs/dbraw/zinc/12/30/37/215123037.db2.gz QSWQTLHCVIPQAJ-AWEZNQCLSA-N 0 0 348.226 2.556 50 0 EFAARN COc1cc(C)c(-c2nc(CN3CCN(C)C(=O)C3)c(C)o2)cc1C ZINC000067431898 215144075 /nfs/dbraw/zinc/14/40/75/215144075.db2.gz MWHXNGXQJMKZIH-UHFFFAOYSA-N 0 0 343.427 2.549 50 0 EFAARN COc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1OC ZINC000003243812 209986756 /nfs/dbraw/zinc/98/67/56/209986756.db2.gz UUFKRBFRIOVRND-UHFFFAOYSA-N 0 0 347.342 2.567 50 0 EFAARN O=C(NCCCc1nc2ccccc2o1)c1c[nH]c(=O)c(Cl)c1 ZINC000067446894 215146658 /nfs/dbraw/zinc/14/66/58/215146658.db2.gz PCCCXZXPPIHEHD-UHFFFAOYSA-N 0 0 331.759 2.532 50 0 EFAARN COCC(C)(C)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067447284 215147355 /nfs/dbraw/zinc/14/73/55/215147355.db2.gz GYCZWSGIGXSDKO-UHFFFAOYSA-N 0 0 349.381 2.912 50 0 EFAARN COc1ccc(OCc2nc(C(=O)N(C)C[C@H]3CCCO3)co2)cc1 ZINC000067473321 215151885 /nfs/dbraw/zinc/15/18/85/215151885.db2.gz QWDKASOFYQOJGP-OAHLLOKOSA-N 0 0 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GFKQUKNXTWOVRD-UHFFFAOYSA-N 0 0 342.428 2.913 50 0 EFAARN CNC(=O)CSc1nc2sc(C)nc2c(-c2ccccc2)n1 ZINC000035682697 213046133 /nfs/dbraw/zinc/04/61/33/213046133.db2.gz LEYHVDZDUSDIKL-UHFFFAOYSA-N 0 0 330.438 2.900 50 0 EFAARN COc1ccccc1NC(=O)C1(NC=O)C2CC3CC(C2)CC1C3 ZINC000035616040 213042538 /nfs/dbraw/zinc/04/25/38/213042538.db2.gz QWAATFXVMSWBPH-UHFFFAOYSA-N 0 0 328.412 2.575 50 0 EFAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1 ZINC000035597545 213041983 /nfs/dbraw/zinc/04/19/83/213041983.db2.gz PBABXCVFVJFXEX-ZDUSSCGKSA-N 0 0 348.424 2.555 50 0 EFAARN O=C(CCc1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000035598281 213041231 /nfs/dbraw/zinc/04/12/31/213041231.db2.gz COHUBWCRCXYQRK-UHFFFAOYSA-N 0 0 348.450 2.840 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)NCCNc1ccc(C)nn1 ZINC000035598006 213041137 /nfs/dbraw/zinc/04/11/37/213041137.db2.gz HSPANMWXWHEJOR-UHFFFAOYSA-N 0 0 335.795 2.681 50 0 EFAARN COc1cc(C(=O)N2CCOC23CCCCC3)cc(OC)c1OC ZINC000035671120 213045118 /nfs/dbraw/zinc/04/51/18/213045118.db2.gz NRQKJANQVHLWBT-UHFFFAOYSA-N 0 0 335.400 2.845 50 0 EFAARN CSc1ccc(Cc2nnc(NC(=O)c3cc(C)nn3C)o2)cc1 ZINC000035588359 213040700 /nfs/dbraw/zinc/04/07/00/213040700.db2.gz MSIYWSXIXVTTHJ-UHFFFAOYSA-N 0 0 343.412 2.677 50 0 EFAARN COc1cc(NC(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000035597149 213040242 /nfs/dbraw/zinc/04/02/42/213040242.db2.gz GSTATFACKGBRMS-UHFFFAOYSA-N 0 0 346.383 2.913 50 0 EFAARN CN1C(=O)c2cccc(NC(=O)c3c(F)cccc3Cl)c2C1=O ZINC000035586296 213040441 /nfs/dbraw/zinc/04/04/41/213040441.db2.gz UMQLJOBCSDUASG-UHFFFAOYSA-N 0 0 332.718 2.957 50 0 EFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 ZINC000035578170 213039337 /nfs/dbraw/zinc/03/93/37/213039337.db2.gz PMTJUXIPZDYKCC-UHFFFAOYSA-N 0 0 342.892 2.979 50 0 EFAARN c1ccc2c(c1)nc(-c1cccnc1)nc2NCCCN1CCOCC1 ZINC000035498265 213032138 /nfs/dbraw/zinc/03/21/38/213032138.db2.gz JICWYOBPBCGBRJ-UHFFFAOYSA-N 0 0 349.438 2.826 50 0 EFAARN COc1ccc(CC2C(=O)OC=C2Nc2ccc3c(c2)OCO3)cc1 ZINC000035326437 213021789 /nfs/dbraw/zinc/02/17/89/213021789.db2.gz XKWFCUQNPOIDPS-UHFFFAOYSA-N 0 0 339.347 2.889 50 0 EFAARN Cc1nnnn1-c1ccccc1C(=O)NCc1ccccc1Cl ZINC000071288567 215755310 /nfs/dbraw/zinc/75/53/10/215755310.db2.gz JVFRYGCQTHIAJI-UHFFFAOYSA-N 0 0 327.775 2.554 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)nn2C)C1 ZINC000035293619 213018518 /nfs/dbraw/zinc/01/85/18/213018518.db2.gz HNDGBPCHKXAKIN-GFCCVEGCSA-N 0 0 347.440 2.564 50 0 EFAARN O=C([C@@H](c1ccccc1)n1cnnn1)N1CCC(c2ccccc2)CC1 ZINC000071328795 215761283 /nfs/dbraw/zinc/76/12/83/215761283.db2.gz OJUXDBCYXMQUTH-LJQANCHMSA-N 0 0 347.422 2.669 50 0 EFAARN N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000035052108 213005836 /nfs/dbraw/zinc/00/58/36/213005836.db2.gz DHQUQYYPAWHGAR-QGZVFWFLSA-N 0 0 327.380 2.581 50 0 EFAARN CCn1nc(C)c(C(=O)NCc2ccc(-n3ccnc3C)cc2)c1C ZINC000071750185 215807605 /nfs/dbraw/zinc/80/76/05/215807605.db2.gz FSASTOZUBMCALS-UHFFFAOYSA-N 0 0 337.427 2.944 50 0 EFAARN Cc1nc(C(C)C)nc(C)c1OCc1nc(-c2cnccn2)no1 ZINC000071753243 215810151 /nfs/dbraw/zinc/81/01/51/215810151.db2.gz UVNAKMVBEVEILW-UHFFFAOYSA-N 0 0 326.360 2.636 50 0 EFAARN CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000071753881 215811328 /nfs/dbraw/zinc/81/13/28/215811328.db2.gz AURQEPSGOHVBLU-UHFFFAOYSA-N 0 0 347.422 2.736 50 0 EFAARN CN(CCn1ccc2ccccc21)S(=O)(=O)NCc1ccccc1 ZINC000071754128 215812107 /nfs/dbraw/zinc/81/21/07/215812107.db2.gz CIIASXVKZHTOKE-UHFFFAOYSA-N 0 0 343.452 2.608 50 0 EFAARN COc1ccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)cc1 ZINC000071765000 215820729 /nfs/dbraw/zinc/82/07/29/215820729.db2.gz ZMAAPZVPMYOGRP-UHFFFAOYSA-N 0 0 336.395 2.823 50 0 EFAARN COCc1c(C)onc1C(=O)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000071775932 215825758 /nfs/dbraw/zinc/82/57/58/215825758.db2.gz BGHLTEPJVXBXPZ-HNNXBMFYSA-N 0 0 342.395 2.865 50 0 EFAARN CC(C)C(=O)N[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl ZINC000033305723 212921027 /nfs/dbraw/zinc/92/10/27/212921027.db2.gz MSUUUUMWMGOARJ-KKZNHRDASA-N 0 0 331.671 2.564 50 0 EFAARN COc1ccc2oc(=O)c(C(=O)NCc3ccc(F)cc3)cc2c1 ZINC000000424122 209587002 /nfs/dbraw/zinc/58/70/02/209587002.db2.gz DFIOMDHBYPIALK-UHFFFAOYSA-N 0 0 327.311 2.871 50 0 EFAARN CSc1nc2ncn(CC(=O)Nc3ccc(C)cc3)c(=O)c2s1 ZINC000033020810 212889315 /nfs/dbraw/zinc/88/93/15/212889315.db2.gz VSBWLYUCIGCSGT-UHFFFAOYSA-N 0 0 346.437 2.522 50 0 EFAARN CCCCNC(=O)CCSc1nc2c3ccccc3ncn2n1 ZINC000032830955 212852549 /nfs/dbraw/zinc/85/25/49/212852549.db2.gz AEPWUUQAXYVZAO-UHFFFAOYSA-N 0 0 329.429 2.676 50 0 EFAARN CCc1noc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)n1 ZINC000032500649 212805870 /nfs/dbraw/zinc/80/58/70/212805870.db2.gz PAESXKCEWNUJDH-SECBINFHSA-N 0 0 330.413 2.577 50 0 EFAARN COc1ccc2c(ccn2CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000032104005 212789533 /nfs/dbraw/zinc/78/95/33/212789533.db2.gz KTAIUKKXVPNISH-UHFFFAOYSA-N 0 0 338.363 2.695 50 0 EFAARN COC(=O)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095521105 291184495 /nfs/dbraw/zinc/18/44/95/291184495.db2.gz DCHVRKZRRZWTFD-UHFFFAOYSA-N 0 0 336.819 2.921 50 0 EFAARN O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc[nH]c1=O ZINC000072128084 216018744 /nfs/dbraw/zinc/01/87/44/216018744.db2.gz ZDWOWWMGPVRKBU-HNNXBMFYSA-N 0 0 345.830 2.835 50 0 EFAARN Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N(C(C)C)C(C)C)C2 ZINC000072129261 216019588 /nfs/dbraw/zinc/01/95/88/216019588.db2.gz CYZKOVUVHZRJEV-UHFFFAOYSA-N 0 0 345.491 2.982 50 0 EFAARN O=C(Nc1ccc(F)cc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000032092646 212787546 /nfs/dbraw/zinc/78/75/46/212787546.db2.gz PRNHEKOFGVNNAZ-UHFFFAOYSA-N 0 0 347.367 2.578 50 0 EFAARN Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)cc1C ZINC000072117261 216012840 /nfs/dbraw/zinc/01/28/40/216012840.db2.gz XRLAFERKBCLIOY-UHFFFAOYSA-N 0 0 339.443 2.536 50 0 EFAARN COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2c1cccc2Cl ZINC000032075009 212786495 /nfs/dbraw/zinc/78/64/95/212786495.db2.gz JUZFTYXREZAHCQ-QGZVFWFLSA-N 0 0 331.755 2.761 50 0 EFAARN CC(C)c1cc(C(=O)NCC2(N3CCOCC3)CCCCCC2)no1 ZINC000072119448 216013664 /nfs/dbraw/zinc/01/36/64/216013664.db2.gz SSFUGNHEYNMVCH-UHFFFAOYSA-N 0 0 349.475 2.953 50 0 EFAARN CC/C=C/CC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 ZINC000072121837 216015194 /nfs/dbraw/zinc/01/51/94/216015194.db2.gz DXLUPQOGXZFQBX-CWDCEQMOSA-N 0 0 334.847 2.956 50 0 EFAARN C[C@@H](c1ccon1)N(C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 ZINC000072123955 216017135 /nfs/dbraw/zinc/01/71/35/216017135.db2.gz GKAZNRDCZHWGGY-MRZGDXHCSA-N 0 0 337.383 2.813 50 0 EFAARN COc1cc(C)ccc1OCCN1CC[C@@]2(CCCO2)CCC1=O ZINC000072127480 216017530 /nfs/dbraw/zinc/01/75/30/216017530.db2.gz MNWQNSYWLXHTSN-LJQANCHMSA-N 0 0 333.428 2.944 50 0 EFAARN Cn1ccc2c1nccc2-c1ccc([C@H](O)CN2CCOCC2)cc1 ZINC000072135545 216024428 /nfs/dbraw/zinc/02/44/28/216024428.db2.gz DHAAMYWVKMYBTB-LJQANCHMSA-N 0 0 337.423 2.606 50 0 EFAARN CC(C)CCCC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072137123 216024578 /nfs/dbraw/zinc/02/45/78/216024578.db2.gz TWNIPDYYXJQCSY-QGZVFWFLSA-N 0 0 334.435 2.912 50 0 EFAARN Cc1cnn(CC2CCN(Cc3cn(-c4ccccc4)nn3)CC2)c1 ZINC000072140291 216025634 /nfs/dbraw/zinc/02/56/34/216025634.db2.gz JEXUZDIOCUQDHM-UHFFFAOYSA-N 0 0 336.443 2.684 50 0 EFAARN Cn1ncc2c1nc(C1CCCC1)nc2NC[C@H](O)c1cccnc1 ZINC000072143155 216028839 /nfs/dbraw/zinc/02/88/39/216028839.db2.gz FDHDBPVHWQGJPT-HNNXBMFYSA-N 0 0 338.415 2.561 50 0 EFAARN CCNC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072143811 216029498 /nfs/dbraw/zinc/02/94/98/216029498.db2.gz YCUJPJXHZBIKPN-IAOVAPTHSA-N 0 0 335.398 2.556 50 0 EFAARN COc1c[nH]c(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O ZINC000072144219 216030172 /nfs/dbraw/zinc/03/01/72/216030172.db2.gz FNOVQMTUWBAJIA-UHFFFAOYSA-N 0 0 340.423 2.506 50 0 EFAARN CC[C@@H](C)Nc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 ZINC000072144726 216030338 /nfs/dbraw/zinc/03/03/38/216030338.db2.gz COEKPKRTKZPWOJ-GFCCVEGCSA-N 0 0 325.416 2.654 50 0 EFAARN COCc1noc(CNc2cc(-c3ccccc3)nc3ccnn32)n1 ZINC000072144851 216030556 /nfs/dbraw/zinc/03/05/56/216030556.db2.gz CRHAOUUPASZBSU-UHFFFAOYSA-N 0 0 336.355 2.538 50 0 EFAARN CC(C)c1cc(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)on1 ZINC000072144578 216030682 /nfs/dbraw/zinc/03/06/82/216030682.db2.gz UCYHOFAVEJYIBB-AWEZNQCLSA-N 0 0 341.411 2.602 50 0 EFAARN C[C@@]1(O)CCN(C(=O)c2ccccc2O)C[C@@H]1Cc1ccccc1 ZINC000072144283 216030881 /nfs/dbraw/zinc/03/08/81/216030881.db2.gz MZHZYNHYTQJQNI-OXJNMPFZSA-N 0 0 325.408 2.848 50 0 EFAARN CCc1nc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)ncc1C ZINC000072145756 216031832 /nfs/dbraw/zinc/03/18/32/216031832.db2.gz VOCXGSJZYJZEGU-MRXNPFEDSA-N 0 0 336.439 2.528 50 0 EFAARN CCc1cnc(C)nc1N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072140395 216028148 /nfs/dbraw/zinc/02/81/48/216028148.db2.gz DJNBVZOYXPPWBB-QGZVFWFLSA-N 0 0 342.418 2.742 50 0 EFAARN C(CN1CCOCC1)[C@H]1CCCCN1Cc1noc(C2CCCC2)n1 ZINC000072150316 216038106 /nfs/dbraw/zinc/03/81/06/216038106.db2.gz UGUMKULIECYLCQ-QGZVFWFLSA-N 0 0 348.491 2.804 50 0 EFAARN Cc1ccccc1CC[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000072149804 216038399 /nfs/dbraw/zinc/03/83/99/216038399.db2.gz CXZCLVDHPYTAEY-INIZCTEOSA-N 0 0 347.484 2.762 50 0 EFAARN CCCCSCc1cc(C(=O)N2CCC[C@](O)(CO)C2)oc1C ZINC000072151751 216039781 /nfs/dbraw/zinc/03/97/81/216039781.db2.gz SYGGTMMVQAMFMI-QGZVFWFLSA-N 0 0 341.473 2.581 50 0 EFAARN CCc1cc(N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)ncn1 ZINC000072151292 216039870 /nfs/dbraw/zinc/03/98/70/216039870.db2.gz PLDSELAOFNJGBV-INIZCTEOSA-N 0 0 344.846 2.948 50 0 EFAARN COc1ccc(OC2CCN(Cc3cnc(N(C)C)nc3)CC2)cc1 ZINC000072152245 216041408 /nfs/dbraw/zinc/04/14/08/216041408.db2.gz QOPPJLUSCZIQJE-UHFFFAOYSA-N 0 0 342.443 2.595 50 0 EFAARN CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)C1CCC1)C2 ZINC000072151930 216041494 /nfs/dbraw/zinc/04/14/94/216041494.db2.gz QIECFFCTWDDBHE-UHFFFAOYSA-N 0 0 336.439 2.894 50 0 EFAARN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(CC)nc(C)n1)CC2 ZINC000072147523 216035310 /nfs/dbraw/zinc/03/53/10/216035310.db2.gz JXXVPTPHFROKBB-INIZCTEOSA-N 0 0 346.475 2.503 50 0 EFAARN CC(C)c1nnc(C[N@@H+]2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)o1 ZINC000072148641 216036795 /nfs/dbraw/zinc/03/67/95/216036795.db2.gz 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/nfs/dbraw/zinc/20/39/54/216203954.db2.gz CAVODDJZWSLWKP-UHFFFAOYSA-N 0 0 331.422 2.832 50 0 EFAARN CCc1cnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCSC)C2)nc1 ZINC000072412240 216205411 /nfs/dbraw/zinc/20/54/11/216205411.db2.gz WBSVDGMGKPEAQN-JKSUJKDBSA-N 0 0 348.516 2.609 50 0 EFAARN COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000000079874 209405706 /nfs/dbraw/zinc/40/57/06/209405706.db2.gz GRANVWJEQAQHLV-QWRGUYRKSA-N 0 0 347.864 2.763 50 0 EFAARN OC[C@H]1CCCN(c2cc(-c3ccc(F)cc3)nc3ccnn32)C1 ZINC000072418789 216207570 /nfs/dbraw/zinc/20/75/70/216207570.db2.gz JDCSFVSFGFWFMY-ZDUSSCGKSA-N 0 0 326.375 2.744 50 0 EFAARN O=C([O-])C1(n2ccnc2)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000072420393 216208763 /nfs/dbraw/zinc/20/87/63/216208763.db2.gz PTOQCQOTEQBPAF-UHFFFAOYSA-N 0 0 337.782 2.752 50 0 EFAARN CSCC[C@@H](O)C(=O)N(C)Cc1csc(-c2cccs2)n1 ZINC000072422485 216211307 /nfs/dbraw/zinc/21/13/07/216211307.db2.gz XXGPILXIQCSDDV-LLVKDONJSA-N 0 0 342.511 2.944 50 0 EFAARN CCc1cc(NC[C@@H](O)c2ccc(O)cc2)n2nc(C)c(C)c2n1 ZINC000072422831 216211660 /nfs/dbraw/zinc/21/16/60/216211660.db2.gz FNCPQOCAKFBAKU-MRXNPFEDSA-N 0 0 326.400 2.760 50 0 EFAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1cccnc1 ZINC000000066946 209398851 /nfs/dbraw/zinc/39/88/51/209398851.db2.gz VFLMELZKKFEGEM-QGZVFWFLSA-N 0 0 347.378 2.662 50 0 EFAARN COc1cc(C(NC(C)=O)NC(C)=O)ccc1OCc1ccccc1 ZINC000000065301 209397506 /nfs/dbraw/zinc/39/75/06/209397506.db2.gz QNTGGWPCCZYDFR-UHFFFAOYSA-N 0 0 342.395 2.545 50 0 EFAARN O=C([O-])C1(n2ccnc2)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000072425095 216214694 /nfs/dbraw/zinc/21/46/94/216214694.db2.gz JMNPDINBIDHPKH-UHFFFAOYSA-N 0 0 337.782 2.752 50 0 EFAARN COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)c1 ZINC000072424966 216214733 /nfs/dbraw/zinc/21/47/33/216214733.db2.gz SDUAIMNVMKSFKY-CQSZACIVSA-N 0 0 341.411 2.604 50 0 EFAARN Cc1nn2c(nc(C)cc2NCc2ccc(-n3cncn3)cc2)c1C ZINC000072425300 216214794 /nfs/dbraw/zinc/21/47/94/216214794.db2.gz CBSGWXAJGNIEKY-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/64/02/209386402.db2.gz NYYORGBPDGLJNJ-INIZCTEOSA-N 0 0 332.400 2.912 50 0 EFAARN Cc1nccn1C1(C(=O)[O-])CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000072428290 216218996 /nfs/dbraw/zinc/21/89/96/216218996.db2.gz KZPOPIMFUYAUFD-NSCUHMNNSA-N 0 0 343.402 2.920 50 0 EFAARN Cc1ccc(-c2cc(C(=O)N3C[C@H](O)CO3)c3ccccc3n2)cc1 ZINC000072426969 216217676 /nfs/dbraw/zinc/21/76/76/216217676.db2.gz PYHPECBWGMRZEI-HNNXBMFYSA-N 0 0 334.375 2.959 50 0 EFAARN O=C(CC1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 ZINC000072426904 216217777 /nfs/dbraw/zinc/21/77/77/216217777.db2.gz YIJOAOPLGDBROQ-DOTOQJQBSA-N 0 0 346.496 2.930 50 0 EFAARN O=C(C[C@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1 ZINC000072426876 216218043 /nfs/dbraw/zinc/21/80/43/216218043.db2.gz XSVIEOKVBJQKAT-AWEZNQCLSA-N 0 0 344.427 2.597 50 0 EFAARN CC(C)[C@@H](O)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072433225 216227979 /nfs/dbraw/zinc/22/79/79/216227979.db2.gz MYLHTCPISHCECB-CQSZACIVSA-N 0 0 345.361 2.532 50 0 EFAARN Cc1nonc1C(=O)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072435255 216229286 /nfs/dbraw/zinc/22/92/86/216229286.db2.gz DXASFLWYDUQXCY-CYBMUJFWSA-N 0 0 329.335 2.761 50 0 EFAARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3cnccn3)cc2)n1 ZINC000072434962 216229300 /nfs/dbraw/zinc/22/93/00/216229300.db2.gz NTEBKUFEERSALV-HNNXBMFYSA-N 0 0 335.411 2.829 50 0 EFAARN COCc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000072437814 216232922 /nfs/dbraw/zinc/23/29/22/216232922.db2.gz IAMUHGGHJPTUKF-UHFFFAOYSA-N 0 0 326.396 2.922 50 0 EFAARN Cc1csc(CN2CCc3ncnc(N4CC=CCC4)c3CC2)n1 ZINC000072440117 216233384 /nfs/dbraw/zinc/23/33/84/216233384.db2.gz LEFIJUICTYBYJK-UHFFFAOYSA-N 0 0 341.484 2.609 50 0 EFAARN CC(C)c1cc(N2CCN(c3ccc(O)cc3)CC2)n2nccc2n1 ZINC000072435587 216230869 /nfs/dbraw/zinc/23/08/69/216230869.db2.gz GWNMLKISZJMQEL-UHFFFAOYSA-N 0 0 337.427 2.885 50 0 EFAARN CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(Cl)c2)CC1 ZINC000072437256 216232246 /nfs/dbraw/zinc/23/22/46/216232246.db2.gz PFRDVCSQPACMGP-UHFFFAOYSA-N 0 0 340.807 2.653 50 0 EFAARN C[C@@H](COc1ccccc1)NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000072437404 216232576 /nfs/dbraw/zinc/23/25/76/216232576.db2.gz CUJNZMXXSAGHHC-INIZCTEOSA-N 0 0 340.423 2.721 50 0 EFAARN COCc1cc(NCC[C@@H]2COc3ccccc3O2)n2nccc2n1 ZINC000072439073 216233945 /nfs/dbraw/zinc/23/39/45/216233945.db2.gz ZOJJDKBCHLTLJK-CQSZACIVSA-N 0 0 340.383 2.518 50 0 EFAARN CCOC(=O)N1CCC(Nc2cc(CC)nc3c(C)c(C)nn32)CC1 ZINC000072440679 216235114 /nfs/dbraw/zinc/23/51/14/216235114.db2.gz FXNAYFBPMXHBFN-UHFFFAOYSA-N 0 0 345.447 2.941 50 0 EFAARN O=C(CCCc1cn[nH]c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000072440827 216235121 /nfs/dbraw/zinc/23/51/21/216235121.db2.gz RINPTIMLHXCPAO-UHFFFAOYSA-N 0 0 344.434 2.606 50 0 EFAARN C/C(=C\c1ccco1)C[NH+]1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072448074 216237046 /nfs/dbraw/zinc/23/70/46/216237046.db2.gz FLLLMVLLHDSEMF-GXDHUFHOSA-N 0 0 329.400 2.764 50 0 EFAARN CCCc1nc2c(cnn2C)c(NCCNc2ncccc2C)n1 ZINC000072454245 216240800 /nfs/dbraw/zinc/24/08/00/216240800.db2.gz 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/nfs/dbraw/zinc/25/13/94/216251394.db2.gz ZMZJQOIBRBYRKI-UHFFFAOYSA-N 0 0 347.484 2.776 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)o1 ZINC000072463573 216246617 /nfs/dbraw/zinc/24/66/17/216246617.db2.gz KOBJJSTVUMWAGL-CYBMUJFWSA-N 0 0 343.427 2.905 50 0 EFAARN CCc1nnc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)o1 ZINC000072463855 216246926 /nfs/dbraw/zinc/24/69/26/216246926.db2.gz FAFJWGIFGJTHMU-UHFFFAOYSA-N 0 0 331.416 2.608 50 0 EFAARN Cc1nc[nH]c1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072468083 216247319 /nfs/dbraw/zinc/24/73/19/216247319.db2.gz QGQOFQSEJNLFGE-HNNXBMFYSA-N 0 0 330.407 2.594 50 0 EFAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1csc(N)n1 ZINC000072469585 216248426 /nfs/dbraw/zinc/24/84/26/216248426.db2.gz PCGLKLTYZSXNRV-UHFFFAOYSA-N 0 0 342.424 2.972 50 0 EFAARN CC(C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072470055 216248671 /nfs/dbraw/zinc/24/86/71/216248671.db2.gz KPDZKORGLZOXTP-HXUWFJFHSA-N 0 0 343.471 2.859 50 0 EFAARN Cc1ccccc1CN1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 ZINC000072476737 216254756 /nfs/dbraw/zinc/25/47/56/216254756.db2.gz DUKBIPDLUSKQMA-LJQANCHMSA-N 0 0 342.414 2.512 50 0 EFAARN Cc1nn(C)c2nc(-c3ccccn3)nc(NCCCOC(C)C)c12 ZINC000072474458 216251984 /nfs/dbraw/zinc/25/19/84/216251984.db2.gz CLEVXGVLWUTWTI-UHFFFAOYSA-N 0 0 340.431 2.961 50 0 EFAARN Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H](C)n3ccnc3)c12 ZINC000072474797 216251988 /nfs/dbraw/zinc/25/19/88/216251988.db2.gz PIUINUCFNZNSNW-GFCCVEGCSA-N 0 0 348.414 2.603 50 0 EFAARN Cc1nn(C)c2nc(-c3cccnc3)nc(N[C@@H](C)c3cnn(C)c3)c12 ZINC000072474960 216253030 /nfs/dbraw/zinc/25/30/30/216253030.db2.gz KOUSZDMYSXLOJX-NSHDSACASA-N 0 0 348.414 2.640 50 0 EFAARN Cc1nn(C)c2nc(C)nc(N(C)CC[C@@H](O)c3ccccc3)c12 ZINC000072479926 216259520 /nfs/dbraw/zinc/25/95/20/216259520.db2.gz DLTGXSNBLGYCRR-OAHLLOKOSA-N 0 0 325.416 2.540 50 0 EFAARN Cc1nn(C)c2nc(C)nc(N(C)CC[C@H](O)c3ccccc3)c12 ZINC000072479925 216259741 /nfs/dbraw/zinc/25/97/41/216259741.db2.gz DLTGXSNBLGYCRR-HNNXBMFYSA-N 0 0 325.416 2.540 50 0 EFAARN 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O=C(Nc1ccc(F)cc1)c1nnn2c1CO[C@H](c1ccccc1)C2 ZINC000263616207 240387349 /nfs/dbraw/zinc/38/73/49/240387349.db2.gz HPTYCTVDRKBZIT-INIZCTEOSA-N 0 0 338.342 2.941 50 0 EFAARN O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCCCCC1 ZINC000263617235 240388890 /nfs/dbraw/zinc/38/88/90/240388890.db2.gz MVJVQCWVRIEWAK-INIZCTEOSA-N 0 0 344.390 2.705 50 0 EFAARN Cn1nc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1=O ZINC000022283658 212287547 /nfs/dbraw/zinc/28/75/47/212287547.db2.gz QBJIKVIPFXXXPA-UHFFFAOYSA-N 0 0 346.346 2.841 50 0 EFAARN C[C@](O)(CCc1ccccc1)CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000062021533 291340294 /nfs/dbraw/zinc/34/02/94/291340294.db2.gz DKOPDYDYSAMATP-IBGZPJMESA-N 0 0 342.395 2.921 50 0 EFAARN O=C(N1CCN(c2cccnn2)CC1)C1(c2cccc(Cl)c2)CC1 ZINC000195047195 240814173 /nfs/dbraw/zinc/81/41/73/240814173.db2.gz NHRUVKHGKRXGIZ-UHFFFAOYSA-N 0 0 342.830 2.510 50 0 EFAARN O=C(C[C@H]1NCCc2c3ccccc3[nH]c2C1=O)Nc1ccccc1 ZINC000038571127 283875171 /nfs/dbraw/zinc/87/51/71/283875171.db2.gz XFJQLPHHGKAXEN-QGZVFWFLSA-N 0 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/nfs/dbraw/zinc/05/57/34/241055734.db2.gz ZZUZFPLVGMHBRD-UHFFFAOYSA-N 0 0 344.371 2.576 50 0 EFAARN O=C(c1cc(-c2ccccc2)on1)N1CC(Oc2nccs2)C1 ZINC000206919297 241055946 /nfs/dbraw/zinc/05/59/46/241055946.db2.gz JDEYBOKCSSZYRO-UHFFFAOYSA-N 0 0 327.365 2.702 50 0 EFAARN O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206982510 241059177 /nfs/dbraw/zinc/05/91/77/241059177.db2.gz CGXBVTDZFZLZNF-UHFFFAOYSA-N 0 0 338.816 2.640 50 0 EFAARN CC[C@@H]1C(=O)NCCN1C(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000215967063 241157138 /nfs/dbraw/zinc/15/71/38/241157138.db2.gz VIHMQHBIEGGVAZ-CQSZACIVSA-N 0 0 334.803 2.674 50 0 EFAARN COc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2 ZINC000216017141 241160440 /nfs/dbraw/zinc/16/04/40/241160440.db2.gz BGIWQTKQRVJLBQ-UHFFFAOYSA-N 0 0 345.468 2.547 50 0 EFAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1[nH]nc(N)c1-c1ccccc1 ZINC000216150539 241167162 /nfs/dbraw/zinc/16/71/62/241167162.db2.gz AYZAQYNGYJEEIX-OAHLLOKOSA-N 0 0 348.406 2.735 50 0 EFAARN Cc1ccc(OCCCN(C)C(=O)c2cccn(C)c2=O)c(C)c1 ZINC000216260086 241178855 /nfs/dbraw/zinc/17/88/55/241178855.db2.gz FQMJGXCOEUGGHU-UHFFFAOYSA-N 0 0 328.412 2.543 50 0 EFAARN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1ccncn1)O2 ZINC000216280652 241181045 /nfs/dbraw/zinc/18/10/45/241181045.db2.gz CDNGCVADEPZMPT-IBGZPJMESA-N 0 0 341.411 2.508 50 0 EFAARN CCCc1cc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)no1 ZINC000216403415 241188192 /nfs/dbraw/zinc/18/81/92/241188192.db2.gz FCUPRYKPHNSHCT-IBGZPJMESA-N 0 0 340.379 2.877 50 0 EFAARN COc1ccc([C@]2(C(=O)N(C)CCn3cccn3)CC2(C)C)cc1 ZINC000216443666 241190891 /nfs/dbraw/zinc/19/08/91/241190891.db2.gz DEJXQGQKDZDDJY-IBGZPJMESA-N 0 0 327.428 2.718 50 0 EFAARN COCCn1ccnc1CN(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000215525451 241131412 /nfs/dbraw/zinc/13/14/12/241131412.db2.gz VGTYRPVAULBRBZ-UHFFFAOYSA-N 0 0 333.823 2.691 50 0 EFAARN COc1ccc(C2(C(=O)N(C)CCc3c(C)n[nH]c3C)CC2)cc1 ZINC000215527981 241131833 /nfs/dbraw/zinc/13/18/33/241131833.db2.gz CPDRGBQIYXWPPT-UHFFFAOYSA-N 0 0 327.428 2.768 50 0 EFAARN 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COc1cccc(C[C@H]2CN(Cc3nc(C)c(C)nc3C)CCO2)c1 ZINC000020323756 212119943 /nfs/dbraw/zinc/11/99/43/212119943.db2.gz YWDQQXPCQSXZKX-IBGZPJMESA-N 0 0 341.455 2.854 50 0 EFAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC1CCCC1 ZINC000020166797 212108059 /nfs/dbraw/zinc/10/80/59/212108059.db2.gz MDZXGSCSNJPQLQ-CYBMUJFWSA-N 0 0 344.484 2.945 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)CN2C(=O)CCC3=C2CCCC3)C1 ZINC000020201771 212110691 /nfs/dbraw/zinc/11/06/91/212110691.db2.gz NJHNRDBIZFHNJJ-MRXNPFEDSA-N 0 0 334.460 2.855 50 0 EFAARN Nc1cc(N)nc(S[C@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000020198388 212110733 /nfs/dbraw/zinc/11/07/33/212110733.db2.gz OCEOIQLXQHCLDY-HNNXBMFYSA-N 0 0 343.456 2.533 50 0 EFAARN CCc1cc(C(=O)NC2=C(C)N(Cc3ccccc3C)N[C@@H]2C)no1 ZINC000020191907 212110199 /nfs/dbraw/zinc/11/01/99/212110199.db2.gz KEKQIOKZXBRGSD-CYBMUJFWSA-N 0 0 340.427 2.916 50 0 EFAARN CCOC(=O)CN1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000020167641 212108814 /nfs/dbraw/zinc/10/88/14/212108814.db2.gz CCOVTBJKGYZJME-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/85/79/01/211857901.db2.gz NPOVFZUXEBZSGJ-CQSZACIVSA-N 0 0 337.383 2.685 50 0 EFAARN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)cc1 ZINC000015800674 211854678 /nfs/dbraw/zinc/85/46/78/211854678.db2.gz DONFCUBVOUEBJG-JYRVWZFOSA-N 0 0 328.349 2.872 50 0 EFAARN COCCn1c(C(=O)Nc2nnc(C(C)C)[nH]2)cc2ccccc21 ZINC000079936489 217265943 /nfs/dbraw/zinc/26/59/43/217265943.db2.gz SRNYKJDJGVVLFY-UHFFFAOYSA-N 0 0 327.388 2.782 50 0 EFAARN O=C(Cc1csc(-n2cccc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000080337749 217298704 /nfs/dbraw/zinc/29/87/04/217298704.db2.gz NLKDSYGMWVHNRL-KDOFPFPSSA-N 0 0 345.468 2.630 50 0 EFAARN COCc1noc(-c2ccc(N(C)CC[C@@H]3CCCCO3)nc2)n1 ZINC000015066556 211795539 /nfs/dbraw/zinc/79/55/39/211795539.db2.gz XQKMXMVXSJFQGV-AWEZNQCLSA-N 0 0 332.404 2.673 50 0 EFAARN O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc32)C1)c1ccoc1 ZINC000015067861 211794561 /nfs/dbraw/zinc/79/45/61/211794561.db2.gz WZRSIVDYCCDXBU-KRWDZBQOSA-N 0 0 334.375 2.964 50 0 EFAARN CS(=O)(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000014980466 211783804 /nfs/dbraw/zinc/78/38/04/211783804.db2.gz ZQZZRUXHALKMOY-SFHVURJKSA-N 0 0 345.464 2.869 50 0 EFAARN O=C(c1cscn1)N1CCC[C@@](CO)(CCOc2ccccc2)C1 ZINC000014979156 211783129 /nfs/dbraw/zinc/78/31/29/211783129.db2.gz DITQHBIKKYHDAW-GOSISDBHSA-N 0 0 346.452 2.827 50 0 EFAARN CC[C@H](COC)NC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000014949496 211775687 /nfs/dbraw/zinc/77/56/87/211775687.db2.gz FFWMJOGSPYXQGV-LLVKDONJSA-N 0 0 340.326 2.687 50 0 EFAARN CCNc1ncnc2sc(C(=O)NCCCOC(C)C)c(C)c21 ZINC000014878974 211769101 /nfs/dbraw/zinc/76/91/01/211769101.db2.gz VLBZVXMBTHBZFI-UHFFFAOYSA-N 0 0 336.461 2.976 50 0 EFAARN CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3ccc(Cl)o3)C[C@H]2C1 ZINC000081936770 217454706 /nfs/dbraw/zinc/45/47/06/217454706.db2.gz QWTQZWMABJQDCG-PHIMTYICSA-N 0 0 340.807 2.872 50 0 EFAARN Cc1cnc(C(=O)N2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)cn1 ZINC000082107180 217467577 /nfs/dbraw/zinc/46/75/77/217467577.db2.gz BGKBVSXFHKPFBX-AWEZNQCLSA-N 0 0 335.411 2.990 50 0 EFAARN CCn1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cc1=O ZINC000082107699 217467744 /nfs/dbraw/zinc/46/77/44/217467744.db2.gz HUQIGQMIFDTVJR-QGZVFWFLSA-N 0 0 338.407 2.603 50 0 EFAARN O=C(CCc1ccncc1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000082106967 217466605 /nfs/dbraw/zinc/46/66/05/217466605.db2.gz OOALFSNRRICRKA-UHFFFAOYSA-N 0 0 327.403 2.892 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1cn2ccsc2n1 ZINC000082147039 217477571 /nfs/dbraw/zinc/47/75/71/217477571.db2.gz BTCNZPBLUJEEPY-NSHDSACASA-N 0 0 331.445 2.556 50 0 EFAARN Cc1cccc(N2C[C@@H](C)N(C(=O)Cc3ccccc3O)CC2=O)c1 ZINC000082137349 217475845 /nfs/dbraw/zinc/47/58/45/217475845.db2.gz IWJBLHMGMAWSJW-OAHLLOKOSA-N 0 0 338.407 2.507 50 0 EFAARN O=C([C@@H]1CCCCn2nnnc21)N1CCC2(C=Cc3ccccc32)CC1 ZINC000097732915 284467115 /nfs/dbraw/zinc/46/71/15/284467115.db2.gz CAFCGOBDWRVEOH-MRXNPFEDSA-N 0 0 349.438 2.528 50 0 EFAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(N)=O ZINC000013955587 211660808 /nfs/dbraw/zinc/66/08/08/211660808.db2.gz QOYBOJSHERGUMJ-IBGZPJMESA-N 0 0 333.391 2.897 50 0 EFAARN Cn1cc(-c2ccco2)nc1CCNC(=O)c1cc(C2CC2)on1 ZINC000085471282 217672590 /nfs/dbraw/zinc/67/25/90/217672590.db2.gz VFXZTGBMRYFXQN-UHFFFAOYSA-N 0 0 326.356 2.518 50 0 EFAARN COc1ccc(CNC(=O)NCc2cc(-c3ccco3)n(C)n2)cc1 ZINC000085471391 217673092 /nfs/dbraw/zinc/67/30/92/217673092.db2.gz QTHSUZIRUZLGNC-UHFFFAOYSA-N 0 0 340.383 2.688 50 0 EFAARN COC(=O)c1c(Br)cccc1I ZINC000095803895 284510702 /nfs/dbraw/zinc/51/07/02/284510702.db2.gz FYAVLNMQBCJMLV-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN CC(=O)Nc1nc2ccc(C(=O)NCCc3ccco3)cc2s1 ZINC000013724249 211622757 /nfs/dbraw/zinc/62/27/57/211622757.db2.gz PHCCPNUKKCDNFR-UHFFFAOYSA-N 0 0 329.381 2.820 50 0 EFAARN COCCn1ccc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc21 ZINC000085877372 217687178 /nfs/dbraw/zinc/68/71/78/217687178.db2.gz ZIOZKUAJKRPBLT-MRXNPFEDSA-N 0 0 330.428 2.975 50 0 biogenic EFAARN O=C1C[C@H](N2CCc3[nH]c4ccccc4c3C2)C(=O)N1c1ccccc1 ZINC000085777241 217682185 /nfs/dbraw/zinc/68/21/85/217682185.db2.gz ZGVQXEFRTYKEGC-IBGZPJMESA-N 0 0 345.402 2.858 50 0 biogenic EFAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000013659345 211600934 /nfs/dbraw/zinc/60/09/34/211600934.db2.gz FMNXERUXFFRVFL-ZDUSSCGKSA-N 0 0 329.849 2.975 50 0 EFAARN C[C@@H](Sc1ncnc2[nH]cnc21)C(=O)NCc1ccc(Cl)cc1 ZINC000013570374 211582594 /nfs/dbraw/zinc/58/25/94/211582594.db2.gz FMFAFMZRPXXRSB-SECBINFHSA-N 0 0 347.831 2.803 50 0 EFAARN Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCO4)C2)no1 ZINC000426386934 247272231 /nfs/dbraw/zinc/27/22/31/247272231.db2.gz QUZPHNXERJJOOC-OAHLLOKOSA-N 0 0 327.384 2.723 50 0 EFAARN O=C(NCc1ccccn1)c1ccc2sc3c(c2c1)CCNC3=O ZINC000426387150 247272465 /nfs/dbraw/zinc/27/24/65/247272465.db2.gz VOOLVMVRGZJCHO-UHFFFAOYSA-N 0 0 337.404 2.512 50 0 EFAARN Cn1nc(C(=O)NCc2cnc3c(c2)CCC3)cc1-c1cccs1 ZINC000426380659 247273072 /nfs/dbraw/zinc/27/30/72/247273072.db2.gz QBPMIKITDFEBSH-UHFFFAOYSA-N 0 0 338.436 2.962 50 0 EFAARN Cc1nccn1[C@H](C)C(=O)N(C)CCc1nc2c(cccc2C)[nH]1 ZINC000426399458 247275210 /nfs/dbraw/zinc/27/52/10/247275210.db2.gz UDVTVVYLEDWZCC-CYBMUJFWSA-N 0 0 325.416 2.638 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2noc(C3CCCC3)n2)n1 ZINC000426399049 247276392 /nfs/dbraw/zinc/27/63/92/247276392.db2.gz OJSVZTVRMWXZJA-CQSZACIVSA-N 0 0 343.431 2.966 50 0 EFAARN COCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)n1cc(Cl)cn1 ZINC000426408893 247277575 /nfs/dbraw/zinc/27/75/75/247277575.db2.gz FTVIHFUVZSRJOP-GFCCVEGCSA-N 0 0 339.798 2.912 50 0 EFAARN Cc1nnc(CN(C)C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)o1 ZINC000426428378 247279815 /nfs/dbraw/zinc/27/98/15/247279815.db2.gz ZPSHXSPLDJOVNC-GOSISDBHSA-N 0 0 328.416 2.887 50 0 EFAARN O=C(NCc1csc(Cc2ccccc2)n1)N1CCC[C@H](CO)C1 ZINC000426421903 247279970 /nfs/dbraw/zinc/27/99/70/247279970.db2.gz OXHDRPKHGCMJRK-HNNXBMFYSA-N 0 0 345.468 2.648 50 0 EFAARN Cc1ccc2c(CC(=O)NCc3nnnn3-c3ccccc3)coc2c1 ZINC000426465303 247283361 /nfs/dbraw/zinc/28/33/61/247283361.db2.gz TUAKQUJJVQMUGZ-UHFFFAOYSA-N 0 0 347.378 2.576 50 0 EFAARN CC(C)[C@@H](Nc1ncnc2ccccc21)C(=O)NCc1ccccn1 ZINC000426465398 247284076 /nfs/dbraw/zinc/28/40/76/247284076.db2.gz BBTJSGKFYMGSJM-QGZVFWFLSA-N 0 0 335.411 2.778 50 0 EFAARN CSc1ccc(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)cc1 ZINC000426475389 247285214 /nfs/dbraw/zinc/28/52/14/247285214.db2.gz IUMONTQSHWVERV-INIZCTEOSA-N 0 0 331.437 2.501 50 0 EFAARN Cn1ccc2cc(-c3ccc(C(=O)NCCOCCO)cc3)ccc21 ZINC000426478029 247285516 /nfs/dbraw/zinc/28/55/16/247285516.db2.gz OVZBOFFTCGQPKI-UHFFFAOYSA-N 0 0 338.407 2.584 50 0 EFAARN Cc1cc(Cl)ccc1-c1cccc(C(=O)N(C)C[C@@H](O)CO)c1 ZINC000426477992 247285553 /nfs/dbraw/zinc/28/55/53/247285553.db2.gz JTGIFRBZFJTEFZ-MRXNPFEDSA-N 0 0 333.815 2.741 50 0 EFAARN CSCCCNC(=O)c1ccc(-c2ccc(C(N)=O)s2)cc1 ZINC000426477570 247286277 /nfs/dbraw/zinc/28/62/77/247286277.db2.gz NDYVCMIDSLGKRP-UHFFFAOYSA-N 0 0 334.466 2.997 50 0 EFAARN CCn1cc(NC(=O)N2CCN(c3ccccc3F)CC2)c(C)n1 ZINC000426489699 247286637 /nfs/dbraw/zinc/28/66/37/247286637.db2.gz TUQATVWQUBNQIR-UHFFFAOYSA-N 0 0 331.395 2.705 50 0 EFAARN CCOC[C@H](O)CNC(=O)c1cccc(-c2cccc3[nH]ccc32)c1 ZINC000426495538 247287015 /nfs/dbraw/zinc/28/70/15/247287015.db2.gz AGAKKRIDIVJEFO-MRXNPFEDSA-N 0 0 338.407 2.962 50 0 EFAARN CCc1nc(CNC(=O)N(Cc2cccc(OC)c2)C2CC2)no1 ZINC000426494708 247287744 /nfs/dbraw/zinc/28/77/44/247287744.db2.gz XIZMQVCLSSMTPC-UHFFFAOYSA-N 0 0 330.388 2.515 50 0 EFAARN Cn1c(CNC(=O)N(Cc2nccs2)C2CC2)nc2ccccc21 ZINC000426500343 247288198 /nfs/dbraw/zinc/28/81/98/247288198.db2.gz WTTCPTGWDFVCJC-UHFFFAOYSA-N 0 0 341.440 2.904 50 0 EFAARN c1cn(Cc2ccc(-c3cccc(CN4CCOCC4)c3)nc2)cn1 ZINC000426503400 247288407 /nfs/dbraw/zinc/28/84/07/247288407.db2.gz BKKDEYBQGAEXNX-UHFFFAOYSA-N 0 0 334.423 2.826 50 0 EFAARN CC[C@H](CO)N(Cc1ccco1)C(=O)Nc1ccc2c(c1)COC2=O ZINC000426502862 247288653 /nfs/dbraw/zinc/28/86/53/247288653.db2.gz HHRGGXIPMOOMQZ-CQSZACIVSA-N 0 0 344.367 2.755 50 0 EFAARN O=C(NCCN1CCCOC1=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426501872 247288879 /nfs/dbraw/zinc/28/88/79/247288879.db2.gz PCZLVLGFTFOONL-FQEVSTJZSA-N 0 0 342.439 2.847 50 0 EFAARN Cc1cnc(C)c(-c2ccc(C(=O)N[C@H](C)Cc3cnccn3)cc2)n1 ZINC000426503912 247289021 /nfs/dbraw/zinc/28/90/21/247289021.db2.gz CIKXXEXSXUMLPE-CYBMUJFWSA-N 0 0 347.422 2.911 50 0 EFAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)NCc1cnc2cnccn12 ZINC000426503473 247289227 /nfs/dbraw/zinc/28/92/27/247289227.db2.gz HXKDYAORJOAFPN-UHFFFAOYSA-N 0 0 337.358 2.517 50 0 EFAARN O=C(c1ccc(-c2ccc3c(c2)OCO3)cc1)N1CCC[C@H]1CO ZINC000426514883 247290523 /nfs/dbraw/zinc/29/05/23/247290523.db2.gz QNFWPAYYIBAKDY-INIZCTEOSA-N 0 0 325.364 2.679 50 0 EFAARN Cn1c(=O)cc(C(=O)N[C@@H]2COC3(C2)CCCCC3)c2ccccc21 ZINC000426512176 247290568 /nfs/dbraw/zinc/29/05/68/247290568.db2.gz OEYPROGNISELCI-AWEZNQCLSA-N 0 0 340.423 2.760 50 0 EFAARN CNC(=O)c1ccc(OC)c(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1 ZINC000426506879 247290771 /nfs/dbraw/zinc/29/07/71/247290771.db2.gz WPVHKMWIFUSELS-CUFDPUGPSA-N 0 0 343.427 2.565 50 0 EFAARN CC1(C)C[C@H](O)CCN(C(=O)NCc2c[nH]nc2-c2ccccc2)C1 ZINC000426562837 247292182 /nfs/dbraw/zinc/29/21/82/247292182.db2.gz GGRHLKHJHYUYEM-MRXNPFEDSA-N 0 0 342.443 2.769 50 0 EFAARN C[C@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)C1=CCCCC1 ZINC000426574933 247292441 /nfs/dbraw/zinc/29/24/41/247292441.db2.gz ARYLRCPMNIIGNZ-NSHDSACASA-N 0 0 330.367 2.812 50 0 EFAARN C[C@@H](NC(=O)Nc1cc(-n2cnnn2)ccc1F)C1=CCCCC1 ZINC000426574932 247292855 /nfs/dbraw/zinc/29/28/55/247292855.db2.gz ARYLRCPMNIIGNZ-LLVKDONJSA-N 0 0 330.367 2.812 50 0 EFAARN CCOc1ccccc1CN(C)C(=O)NCCSc1nccn1C ZINC000426728268 247293289 /nfs/dbraw/zinc/29/32/89/247293289.db2.gz LDCDAAQLBVUPKG-UHFFFAOYSA-N 0 0 348.472 2.753 50 0 EFAARN NC(=O)c1sccc1-c1cccc(C(=O)NC[C@H]2CCCCO2)c1 ZINC000426737351 247293827 /nfs/dbraw/zinc/29/38/27/247293827.db2.gz GRJABNPOJNWJKO-CQSZACIVSA-N 0 0 344.436 2.813 50 0 EFAARN CCN(Cc1cnn(CC)c1)C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000426360405 247267153 /nfs/dbraw/zinc/26/71/53/247267153.db2.gz QCZYIDSOCJZCDX-UHFFFAOYSA-N 0 0 340.431 2.819 50 0 EFAARN COc1cccc(CCNC(=O)N2CCC(F)(F)CC2)c1OC ZINC000426358871 247267313 /nfs/dbraw/zinc/26/73/13/247267313.db2.gz CZSDCSCZGTXVHP-UHFFFAOYSA-N 0 0 328.359 2.687 50 0 EFAARN O=C(c1ccc(-c2ccsc2)cc1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426370975 247268955 /nfs/dbraw/zinc/26/89/55/247268955.db2.gz LTMLQRHMEFIWFD-FZDBZEDMSA-N 0 0 343.448 2.619 50 0 EFAARN CCOc1ccc2ccccc2c1C(=O)NCCCN1CCOCC1 ZINC000013326856 211546540 /nfs/dbraw/zinc/54/65/40/211546540.db2.gz MHGZSXJSBUNYBU-UHFFFAOYSA-N 0 0 342.439 2.691 50 0 EFAARN O=C(c1ccc[nH]1)N1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000216224757 296246423 /nfs/dbraw/zinc/24/64/23/296246423.db2.gz ZWDNMHHNUXAJGZ-KRWDZBQOSA-N 0 0 343.427 2.807 50 0 EFAARN O=C(c1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)C(F)(F)F ZINC000000052748 296260216 /nfs/dbraw/zinc/26/02/16/296260216.db2.gz BOCDRQDDEPQHIV-SNVBAGLBSA-N 0 0 326.196 2.702 50 0 EFAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000215043355 296260857 /nfs/dbraw/zinc/26/08/57/296260857.db2.gz ZLTWHRORULWUPD-OAHLLOKOSA-N 0 0 342.317 2.810 50 0 EFAARN O=C(c1ccccc1O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000436189 296262803 /nfs/dbraw/zinc/26/28/03/296262803.db2.gz GITNYGIPTKRVPM-YGRLFVJLSA-N 0 0 328.290 2.645 50 0 EFAARN O=C(c1ccc(F)cc1)N1C(=S)NC(=O)C1=Cc1ccccc1 ZINC000001293723 284658575 /nfs/dbraw/zinc/65/85/75/284658575.db2.gz PSIHFKPXRKBLPT-GXDHUFHOSA-N 0 0 326.352 2.724 50 0 aggregator EFAARN O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000012710368 211437553 /nfs/dbraw/zinc/43/75/53/211437553.db2.gz MESYPZAHRGEAED-KRWDZBQOSA-N 0 0 339.391 2.796 50 0 EFAARN COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(C)C)C3)C2=O)c1 ZINC000012710094 211437644 /nfs/dbraw/zinc/43/76/44/211437644.db2.gz LMIRPNPPIFQLQM-HXUWFJFHSA-N 0 0 344.455 2.692 50 0 EFAARN Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000012771298 211451507 /nfs/dbraw/zinc/45/15/07/211451507.db2.gz UWAIDGCICPHZSL-MRXNPFEDSA-N 0 0 330.453 2.860 50 0 EFAARN O=C(N[C@@H]1CCOC1)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012588853 211417528 /nfs/dbraw/zinc/41/75/28/211417528.db2.gz HLDPWCKAMVQGHQ-OAHLLOKOSA-N 0 0 342.395 2.651 50 0 EFAARN CC(C)Oc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)cc1 ZINC000012580545 211414918 /nfs/dbraw/zinc/41/49/18/211414918.db2.gz LEXHKPAASGCDJD-OAHLLOKOSA-N 0 0 332.444 2.851 50 0 EFAARN COCCNC(=O)C(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000012428090 211376838 /nfs/dbraw/zinc/37/68/38/211376838.db2.gz OOQWAHIOJAYABL-UHFFFAOYSA-N 0 0 336.391 2.791 50 0 EFAARN CCCN(CCC)C(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1C ZINC000012421545 211376888 /nfs/dbraw/zinc/37/68/88/211376888.db2.gz LLYPWDCWDZZNEY-UHFFFAOYSA-N 0 0 340.427 2.757 50 0 EFAARN O=C(N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1)C1CCCC1 ZINC000012479811 211391706 /nfs/dbraw/zinc/39/17/06/211391706.db2.gz JRPOAJAETWVGKC-INIZCTEOSA-N 0 0 334.847 2.790 50 0 EFAARN O=C(CSc1ccccn1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000012448885 211386587 /nfs/dbraw/zinc/38/65/87/211386587.db2.gz VZZBEZOOADBNJN-MRXNPFEDSA-N 0 0 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WZLXSHXQPWXPID-QGZVFWFLSA-N 0 0 329.371 2.766 50 0 EFAARN Cc1nc2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)cc2nc1C ZINC000095384569 218316411 /nfs/dbraw/zinc/31/64/11/218316411.db2.gz VHWSYITWTKNFRU-MRXNPFEDSA-N 0 0 349.438 2.996 50 0 EFAARN Cc1nc2ccc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)cc2nc1C ZINC000095384570 218316796 /nfs/dbraw/zinc/31/67/96/218316796.db2.gz VHWSYITWTKNFRU-INIZCTEOSA-N 0 0 349.438 2.996 50 0 EFAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OCC)n1 ZINC000008856796 211012694 /nfs/dbraw/zinc/01/26/94/211012694.db2.gz KDJDWKCSVSUHLM-UHFFFAOYSA-N 0 0 347.440 2.852 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc21 ZINC000008765154 211002825 /nfs/dbraw/zinc/00/28/25/211002825.db2.gz JPNJEMPQCXSYAJ-UHFFFAOYSA-N 0 0 331.375 2.982 50 0 biogenic EFAARN CCOC(=O)Cc1cc(=O)n2nc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000008763139 211002457 /nfs/dbraw/zinc/00/24/57/211002457.db2.gz LBWXGTQFJVDTDK-UHFFFAOYSA-N 0 0 331.759 2.861 50 0 EFAARN Cc1ccccc1OCC(=O)Nc1nnc(-c2ccncc2)s1 ZINC000008768929 211002083 /nfs/dbraw/zinc/00/20/83/211002083.db2.gz SSYDKXHJVBSJMO-UHFFFAOYSA-N 0 0 326.381 2.926 50 0 EFAARN CN(C)[C@H](C(=O)NCCN1CCc2ccccc21)c1ccccc1F ZINC000095392164 218324432 /nfs/dbraw/zinc/32/44/32/218324432.db2.gz BYIFASPNNKTWCN-IBGZPJMESA-N 0 0 341.430 2.607 50 0 EFAARN C[C@]1(c2ccccc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 ZINC000008670577 210978166 /nfs/dbraw/zinc/97/81/66/210978166.db2.gz OBGAHUXKCOFNDS-WMLDXEAASA-N 0 0 340.477 2.728 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000008377057 210943129 /nfs/dbraw/zinc/94/31/29/210943129.db2.gz JWPOGCHTKVWNDR-UHFFFAOYSA-N 0 0 344.845 2.904 50 0 EFAARN NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1Cl ZINC000008286636 210926840 /nfs/dbraw/zinc/92/68/40/210926840.db2.gz PYCRHROAPISFKX-UHFFFAOYSA-N 0 0 345.207 2.893 50 0 EFAARN CC(C)n1cnc2ccc(NC(=O)CCCn3cccn3)cc2c1=O ZINC000095477962 218411048 /nfs/dbraw/zinc/41/10/48/218411048.db2.gz SGFAWKSWSWWRPP-UHFFFAOYSA-N 0 0 339.399 2.593 50 0 EFAARN CC[C@@H](C)[C@@H](C(=O)NCc1ccncc1)N1Cc2ccccc2C1=O ZINC000095472687 218407481 /nfs/dbraw/zinc/40/74/81/218407481.db2.gz KXKSBTRIFZSITD-KDOFPFPSSA-N 0 0 337.423 2.769 50 0 EFAARN CC(C)n1nnc(-c2ccc(C(=O)NCC(=O)c3ccccc3)cc2)n1 ZINC000095473429 218408548 /nfs/dbraw/zinc/40/85/48/218408548.db2.gz XGVLQCPWTBZXCH-UHFFFAOYSA-N 0 0 349.394 2.534 50 0 EFAARN CC(C)c1n[nH]c2c1CN(C(=O)Nc1ccc3c(c1)COC3=O)CC2 ZINC000095509661 218420531 /nfs/dbraw/zinc/42/05/31/218420531.db2.gz XTBJJXWKJPZTII-UHFFFAOYSA-N 0 0 340.383 2.794 50 0 EFAARN Cc1ccc2nc(C)c(C)c(C(=O)NCCSc3c[nH]nn3)c2c1 ZINC000095515206 218422783 /nfs/dbraw/zinc/42/27/83/218422783.db2.gz UOKQZRVZSKXKBB-UHFFFAOYSA-N 0 0 341.440 2.800 50 0 EFAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2n[nH]cc2C1 ZINC000095530613 218432514 /nfs/dbraw/zinc/43/25/14/218432514.db2.gz WTFVFGLAPPURHG-CQSZACIVSA-N 0 0 342.399 2.558 50 0 EFAARN Cc1noc(C)c1CCC(=O)Nc1ccccc1-c1ccc(=O)[nH]n1 ZINC000096025098 218515897 /nfs/dbraw/zinc/51/58/97/218515897.db2.gz IFYXUWRDWUGPRK-UHFFFAOYSA-N 0 0 338.367 2.613 50 0 EFAARN O=C(Nc1ccc(F)cc1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025411 218516698 /nfs/dbraw/zinc/51/66/98/218516698.db2.gz KNRPIULFWYCUDA-MRXNPFEDSA-N 0 0 348.399 2.906 50 0 EFAARN COc1ccc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000007490556 210806582 /nfs/dbraw/zinc/80/65/82/210806582.db2.gz DOXJBVAUDVXHDO-UHFFFAOYSA-N 0 0 338.407 2.681 50 0 EFAARN O=C1C[C@H](c2cccc3nsnc32)c2c(nc3sccn32)CN1 ZINC000065399199 284846202 /nfs/dbraw/zinc/84/62/02/284846202.db2.gz NKYKCNXLCXGTLW-SECBINFHSA-N 0 0 341.421 2.552 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000007306025 210781480 /nfs/dbraw/zinc/78/14/80/210781480.db2.gz XQEFOPYWEZMHKA-LBPRGKRZSA-N 0 0 330.409 2.785 50 0 EFAARN O=C(Nc1cnn(C2CCOCC2)c1)c1cc(=O)c2ccccc2o1 ZINC000096104605 218597352 /nfs/dbraw/zinc/59/73/52/218597352.db2.gz XYUDZBCXHNBNAC-UHFFFAOYSA-N 0 0 339.351 2.593 50 0 EFAARN COc1cccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1 ZINC000006868303 210732205 /nfs/dbraw/zinc/73/22/05/210732205.db2.gz YOPJFTVODAOPLX-UHFFFAOYSA-N 0 0 340.368 2.637 50 0 EFAARN Cc1cccc(CC(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c1 ZINC000096098131 218591855 /nfs/dbraw/zinc/59/18/55/218591855.db2.gz HQJDVUFKXCXGHX-GOSISDBHSA-N 0 0 343.448 2.612 50 0 EFAARN CC[C@H](C(=O)NCCn1ccnc1-c1ncccn1)c1ccccc1 ZINC000096099054 218592465 /nfs/dbraw/zinc/59/24/65/218592465.db2.gz RVGLJJRZFAKAKW-INIZCTEOSA-N 0 0 335.411 2.650 50 0 EFAARN O=C(c1ccsc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099493 218592495 /nfs/dbraw/zinc/59/24/95/218592495.db2.gz HZFPOEPKWDUARC-UHFFFAOYSA-N 0 0 339.438 2.561 50 0 EFAARN CCc1ccccc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N ZINC000006816200 210721373 /nfs/dbraw/zinc/72/13/73/210721373.db2.gz NZJNPVHZDXCAPJ-UHFFFAOYSA-N 0 0 339.374 2.862 50 0 EFAARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)C2CCCCC2)o1 ZINC000096117939 218610113 /nfs/dbraw/zinc/61/01/13/218610113.db2.gz OWNABNAZXONENZ-OAHLLOKOSA-N 0 0 349.427 2.567 50 0 EFAARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)C2CCCCC2)o1 ZINC000096117938 218610791 /nfs/dbraw/zinc/61/07/91/218610791.db2.gz OWNABNAZXONENZ-HNNXBMFYSA-N 0 0 349.427 2.567 50 0 EFAARN CN(C)c1nc(N2CCCC2)ncc1NC(=O)Nc1ccccc1 ZINC000096121409 218613463 /nfs/dbraw/zinc/61/34/63/218613463.db2.gz MAOOSUBVIJDQPB-UHFFFAOYSA-N 0 0 326.404 2.787 50 0 EFAARN CO[C@@](C)(CNS(=O)(=O)Cc1ccccc1)c1ccccc1F ZINC000096123570 218614638 /nfs/dbraw/zinc/61/46/38/218614638.db2.gz PQQPFNCKHBYWKM-KRWDZBQOSA-N 0 0 337.416 2.807 50 0 EFAARN CCC(=O)Nc1ccc(F)c(NC(=O)NCc2c(C)n[nH]c2C)c1 ZINC000096131847 218617353 /nfs/dbraw/zinc/61/73/53/218617353.db2.gz SSAHLIKZGSBHSD-UHFFFAOYSA-N 0 0 333.367 2.836 50 0 EFAARN CSCCc1nc(-c2ccc(=O)n(C)c2)n(-c2cccc(F)c2)n1 ZINC000096139253 218621610 /nfs/dbraw/zinc/62/16/10/218621610.db2.gz FJUZEQIOJRKZGI-UHFFFAOYSA-N 0 0 344.415 2.678 50 0 EFAARN O=C(Cn1c(=O)oc2ccc(Cl)cc21)NCCc1ccccc1 ZINC000006759862 210704432 /nfs/dbraw/zinc/70/44/32/210704432.db2.gz ANRZFSXCHQZHTH-UHFFFAOYSA-N 0 0 330.771 2.607 50 0 EFAARN CN(Cc1cc(-c2ccncc2)no1)c1cc(C(=O)NC2CC2)ccn1 ZINC000096150520 218627138 /nfs/dbraw/zinc/62/71/38/218627138.db2.gz ACYYSPVTLPICAY-UHFFFAOYSA-N 0 0 349.394 2.660 50 0 EFAARN Fc1ccc(OCc2nnc3sc(-c4ccncc4)nn23)cc1 ZINC000006745827 210698269 /nfs/dbraw/zinc/69/82/69/210698269.db2.gz OZTZHEQAIWRHDX-UHFFFAOYSA-N 0 0 327.344 2.966 50 0 EFAARN CCCSc1ccc(NC(=O)N2CCC[C@@](O)(CO)CC2)cc1 ZINC000096152943 218629347 /nfs/dbraw/zinc/62/93/47/218629347.db2.gz ZTWHSUMXLVRNOO-KRWDZBQOSA-N 0 0 338.473 2.930 50 0 EFAARN Cc1c(-c2nc(CN3CCOCC3)no2)[nH]c2c1c(C)ccc2C ZINC000096153350 218629391 /nfs/dbraw/zinc/62/93/91/218629391.db2.gz ZUVZMCZGVOLZOY-UHFFFAOYSA-N 0 0 326.400 2.975 50 0 EFAARN CSC[C@H]1CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1 ZINC000096153177 218629611 /nfs/dbraw/zinc/62/96/11/218629611.db2.gz XOYZNQAXCTYWGD-AWEZNQCLSA-N 0 0 347.484 2.740 50 0 EFAARN CSC[C@@H]1CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1 ZINC000096153178 218629920 /nfs/dbraw/zinc/62/99/20/218629920.db2.gz XOYZNQAXCTYWGD-CQSZACIVSA-N 0 0 347.484 2.740 50 0 EFAARN CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1cccc(Cl)c1 ZINC000006742095 210697296 /nfs/dbraw/zinc/69/72/96/210697296.db2.gz JPPCXDZDPFMUFN-SECBINFHSA-N 0 0 340.836 2.669 50 0 EFAARN COc1ccccc1C1=NO[C@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000006738322 210696225 /nfs/dbraw/zinc/69/62/25/210696225.db2.gz XQBSZALUZJUACF-KRWDZBQOSA-N 0 0 328.343 2.644 50 0 EFAARN O=C(Nc1nnc(CCCOc2ccccc2)s1)[C@H]1CCCO1 ZINC000006728614 210693183 /nfs/dbraw/zinc/69/31/83/210693183.db2.gz ILXHFKTVEHDQGX-CYBMUJFWSA-N 0 0 333.413 2.667 50 0 EFAARN CN(C)c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000006709562 210689116 /nfs/dbraw/zinc/68/91/16/210689116.db2.gz CYUQXMDIOQQENM-UHFFFAOYSA-N 0 0 327.403 2.854 50 0 EFAARN CCOC(=O)c1sc(NC(=O)CSc2ccccn2)nc1C ZINC000006715688 210689145 /nfs/dbraw/zinc/68/91/45/210689145.db2.gz GXSBKTNROHIKLO-UHFFFAOYSA-N 0 0 337.426 2.754 50 0 EFAARN Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000006697991 210682494 /nfs/dbraw/zinc/68/24/94/210682494.db2.gz LCWQMWOONRNCBH-UHFFFAOYSA-N 0 0 332.425 2.806 50 0 EFAARN COC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC000096166393 218639899 /nfs/dbraw/zinc/63/98/99/218639899.db2.gz GKIVCVHUDBAZGK-TZMCWYRMSA-N 0 0 335.404 2.590 50 0 EFAARN O=C(CCC(=O)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000006700735 210684210 /nfs/dbraw/zinc/68/42/10/210684210.db2.gz ZVVAICVVFBYPJQ-UHFFFAOYSA-N 0 0 331.199 2.571 50 0 EFAARN Cc1c(Cl)c(C(=O)NC[C@H]2CCOc3ccccc3C2)nn1C ZINC000096179573 218642118 /nfs/dbraw/zinc/64/21/18/218642118.db2.gz ATOVRHGSTYGGJT-LBPRGKRZSA-N 0 0 333.819 2.753 50 0 EFAARN CCn1c(=O)c2ccccc2nc1SCc1cc(=O)c(OC)co1 ZINC000096191844 218661046 /nfs/dbraw/zinc/66/10/46/218661046.db2.gz JITRCROKUIWCDN-UHFFFAOYSA-N 0 0 344.392 2.671 50 0 EFAARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccccc1OC)C(=O)N2 ZINC000006662949 210674456 /nfs/dbraw/zinc/67/44/56/210674456.db2.gz AREUIHZPQQZOBQ-IBGZPJMESA-N 0 0 325.364 2.670 50 0 EFAARN COc1ccc(Cl)c2c1N(CCOc1ccccc1)C(=O)C2=O ZINC000006662227 210673302 /nfs/dbraw/zinc/67/33/02/210673302.db2.gz QACSRSHPBJBXFY-UHFFFAOYSA-N 0 0 331.755 2.957 50 0 EFAARN COc1ccc(-c2noc(CNC(=O)c3cccs3)n2)cc1OC ZINC000006660710 210672896 /nfs/dbraw/zinc/67/28/96/210672896.db2.gz XMFLGRJAHYWAHH-UHFFFAOYSA-N 0 0 345.380 2.745 50 0 EFAARN COc1cccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C)c1 ZINC000006395220 210628108 /nfs/dbraw/zinc/62/81/08/210628108.db2.gz NYTJIUUTGBXKHI-HNNXBMFYSA-N 0 0 334.441 2.687 50 0 EFAARN CC(C)Cn1c(CNC(=O)CCCn2cccn2)nc2ccccc21 ZINC000096232673 218708744 /nfs/dbraw/zinc/70/87/44/218708744.db2.gz YHWVPCNAXJAXKS-UHFFFAOYSA-N 0 0 339.443 2.985 50 0 EFAARN O=C(Cc1cccs1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096366585 218746383 /nfs/dbraw/zinc/74/63/83/218746383.db2.gz OXYSRIOAIJFLFA-CQSZACIVSA-N 0 0 349.477 2.756 50 0 EFAARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344829 218744915 /nfs/dbraw/zinc/74/49/15/218744915.db2.gz GGEHFCRHANXURD-NSHDSACASA-N 0 0 338.342 2.694 50 0 EFAARN CO[C@H](CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(F)c1 ZINC000096388406 218748713 /nfs/dbraw/zinc/74/87/13/218748713.db2.gz 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210551392 /nfs/dbraw/zinc/55/13/92/210551392.db2.gz DFNWJFHZQWIUJO-HNNXBMFYSA-N 0 0 334.441 2.831 50 0 EFAARN COc1ccccc1[C@H]1NC(=O)N(CCC(C)C)C2=C1C(=O)OC2 ZINC000169760807 533027458 /nfs/dbraw/zinc/02/74/58/533027458.db2.gz XPWMSTARUQBIRH-MRXNPFEDSA-N 0 0 330.384 2.619 50 0 EFAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000005499818 210476328 /nfs/dbraw/zinc/47/63/28/210476328.db2.gz UGLKNRLHRREZKD-UHFFFAOYSA-N 0 0 328.393 2.990 50 0 EFAARN Cc1ccc(-n2nnnc2SCC(=O)N2CCC(C)CC2)cc1C ZINC000005392159 210456706 /nfs/dbraw/zinc/45/67/06/210456706.db2.gz OVFOLHISCPQNFA-UHFFFAOYSA-N 0 0 345.472 2.630 50 0 EFAARN CCOC(=O)N1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000005354797 210447886 /nfs/dbraw/zinc/44/78/86/210447886.db2.gz AXXRXUZAXUTZOF-UHFFFAOYSA-N 0 0 333.363 2.658 50 0 EFAARN Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3c3cccnc3)nc2n1 ZINC000005345427 210444340 /nfs/dbraw/zinc/44/43/40/210444340.db2.gz CQIMJOUWANHYGF-HNNXBMFYSA-N 0 0 336.399 2.504 50 0 biogenic EFAARN 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Cc1cc2c(c(C)c1)N(Cc1ccccc1)C(=O)[C@]2(O)C[C@@H](C)O ZINC000012895963 292001207 /nfs/dbraw/zinc/00/12/07/292001207.db2.gz YKBRLYLQUIYZSC-QRWLVFNGSA-N 0 0 325.408 2.809 50 0 EFAARN Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(F)cc1)CCO2 ZINC000051356429 132181348 /nfs/dbraw/zinc/18/13/48/132181348.db2.gz BBROXMARWMRTMO-UHFFFAOYSA-N 0 0 329.327 2.717 50 0 EFAARN COc1ccccc1N1CCN(CC(=O)NC2CCCCCC2)CC1 ZINC000054277323 132190679 /nfs/dbraw/zinc/19/06/79/132190679.db2.gz FHFZLYMWFUFTCQ-UHFFFAOYSA-N 0 0 345.487 2.656 50 0 EFAARN Cc1cccc(N2CCN(CC(=O)NCc3ccccc3)CC2)c1C ZINC000055060380 132193337 /nfs/dbraw/zinc/19/33/37/132193337.db2.gz NQMPONZEIHEULB-UHFFFAOYSA-N 0 0 337.467 2.742 50 0 EFAARN Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000055069946 132193986 /nfs/dbraw/zinc/19/39/86/132193986.db2.gz ZHGVAGFBYSLILL-UHFFFAOYSA-N 0 0 327.403 2.895 50 0 EFAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000055095278 132194086 /nfs/dbraw/zinc/19/40/86/132194086.db2.gz NSXGQXOEKQLRFX-UHFFFAOYSA-N 0 0 348.809 2.635 50 0 EFAARN Cc1oc(-c2ccsc2)nc1CN1CCN(c2cnccn2)CC1 ZINC000055270942 132194245 /nfs/dbraw/zinc/19/42/45/132194245.db2.gz CLJMDZXEKFDEKS-UHFFFAOYSA-N 0 0 341.440 2.824 50 0 EFAARN CC[C@@H](CO)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCCN2C ZINC000055211880 132194451 /nfs/dbraw/zinc/19/44/51/132194451.db2.gz WOITVWIBQBANJO-HNNXBMFYSA-N 0 0 344.411 2.522 50 0 EFAARN C[C@H](c1ccco1)N(C)C(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000055393740 132195123 /nfs/dbraw/zinc/19/51/23/132195123.db2.gz QKNTWQBEBSWHQQ-GFCCVEGCSA-N 0 0 341.367 2.559 50 0 EFAARN C[C@@H](c1ccco1)N(C)C(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000055393739 132195200 /nfs/dbraw/zinc/19/52/00/132195200.db2.gz QKNTWQBEBSWHQQ-LBPRGKRZSA-N 0 0 341.367 2.559 50 0 EFAARN O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1F ZINC000055565608 132196213 /nfs/dbraw/zinc/19/62/13/132196213.db2.gz QGACSGJJKIFZRE-UHFFFAOYSA-N 0 0 331.366 2.726 50 0 EFAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000055565676 132196442 /nfs/dbraw/zinc/19/64/42/132196442.db2.gz GMGYOVDKLJWTFL-UHFFFAOYSA-N 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LDZRAMAIICSUHQ-UHFFFAOYSA-N 0 0 341.415 2.538 50 0 EFAARN Cc1nc2n(c(=O)c1C)CN(Cc1cccnc1)CN2c1ccccc1 ZINC000036125626 132390697 /nfs/dbraw/zinc/39/06/97/132390697.db2.gz LCVRFIRAPZSKKW-UHFFFAOYSA-N 0 0 347.422 2.824 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000037913314 132395968 /nfs/dbraw/zinc/39/59/68/132395968.db2.gz HQTYYYRTQCRYNM-UHFFFAOYSA-N 0 0 326.396 2.666 50 0 biogenic,in-vitro EFAARN CCc1ccccc1C(=O)N1CCN(c2ccccc2OC)C(=O)C1 ZINC000082086762 132818229 /nfs/dbraw/zinc/81/82/29/132818229.db2.gz DISRCPZFLZRYLH-UHFFFAOYSA-N 0 0 338.407 2.747 50 0 EFAARN COc1cc(F)c(CN2CCN(c3ccccc3)C(=O)C2)c(F)c1 ZINC000082107621 132818565 /nfs/dbraw/zinc/81/85/65/132818565.db2.gz SGKCBDPDQDEWPF-UHFFFAOYSA-N 0 0 332.350 2.822 50 0 EFAARN CCc1nc(C)c(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)o1 ZINC000082121786 132819176 /nfs/dbraw/zinc/81/91/76/132819176.db2.gz RQNCMQXXDARLMU-CYBMUJFWSA-N 0 0 341.411 2.731 50 0 EFAARN CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000000559922 135652766 /nfs/dbraw/zinc/65/27/66/135652766.db2.gz GDVOKTZIEOLWED-UHFFFAOYSA-N 0 0 337.423 2.916 50 0 EFAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCO2 ZINC000000587099 135653084 /nfs/dbraw/zinc/65/30/84/135653084.db2.gz YBLLKBQZSCCHIR-UHFFFAOYSA-N 0 0 326.352 2.504 50 0 EFAARN CC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3ccccc3)cc21 ZINC000009738459 135653871 /nfs/dbraw/zinc/65/38/71/135653871.db2.gz JYYGVPORGQPTQZ-UHFFFAOYSA-N 0 0 337.379 2.563 50 0 EFAARN COc1ccc(C)cc1NC(=O)CN1C(=O)COc2ccc(C)cc21 ZINC000001362074 135654497 /nfs/dbraw/zinc/65/44/97/135654497.db2.gz HBOIPPMHVXYCLO-UHFFFAOYSA-N 0 0 340.379 2.676 50 0 EFAARN Cc1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1C ZINC000006703851 135675169 /nfs/dbraw/zinc/67/51/69/135675169.db2.gz AJBGOFHJANKNCP-UHFFFAOYSA-N 0 0 348.443 2.953 50 0 EFAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2)CC1 ZINC000006715966 135675729 /nfs/dbraw/zinc/67/57/29/135675729.db2.gz SKRUBGQBBBBRCM-UHFFFAOYSA-N 0 0 331.460 2.976 50 0 EFAARN COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000007185161 135679407 /nfs/dbraw/zinc/67/94/07/135679407.db2.gz YOXCWYCROVRVBS-UHFFFAOYSA-N 0 0 340.423 2.975 50 0 EFAARN CC(=O)c1ccc(N2CCN(C(=S)NCc3ccco3)CC2)cc1 ZINC000013496759 135701176 /nfs/dbraw/zinc/70/11/76/135701176.db2.gz SYZQHUKSCGIXGW-UHFFFAOYSA-N 0 0 343.452 2.679 50 0 EFAARN CCOC(=O)C1C(C(F)(F)F)=NC(=S)N[C@H]1c1ccc(C)cc1 ZINC000003197119 285668380 /nfs/dbraw/zinc/66/83/80/285668380.db2.gz MFEYERYMSULXTL-NSHDSACASA-N 0 0 344.358 2.893 50 0 EFAARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)C3=C2O)c(C)c1 ZINC000101344379 292128708 /nfs/dbraw/zinc/12/87/08/292128708.db2.gz GFTMSRRRMHVJGP-RDJZCZTQSA-N 0 0 338.338 2.735 50 0 EFAARN COC(=O)[C@H]1CC12CCN(C(=O)CCSc1ccccc1)CC2 ZINC000356306907 147207024 /nfs/dbraw/zinc/20/70/24/147207024.db2.gz XGUDGMWSLIZPMN-OAHLLOKOSA-N 0 0 333.453 2.971 50 0 EFAARN CNC(=O)c1cccnc1NC[C@H]1CCN(c2ccccc2F)C1 ZINC000359966012 148237315 /nfs/dbraw/zinc/23/73/15/148237315.db2.gz IVUSSRCVDGQAKO-CYBMUJFWSA-N 0 0 328.391 2.519 50 0 EFAARN c1ccc2c(c1)OCCSCCOCCOCCSCCO2 ZINC000004566364 296625833 /nfs/dbraw/zinc/62/58/33/296625833.db2.gz DKLVIUNDRNBJKU-UHFFFAOYSA-N 0 0 344.498 2.957 50 0 EFAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccco1)N(C)CC3)OCO2 ZINC000020111750 286188626 /nfs/dbraw/zinc/18/86/26/286188626.db2.gz LIPLYILYLZINQK-GFCCVEGCSA-N 0 0 329.352 2.819 50 0 biogenic EFAARN O=C(NCCCc1ccccn1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000370903754 150690118 /nfs/dbraw/zinc/69/01/18/150690118.db2.gz WSEBWWGODBVSDS-GOSISDBHSA-N 0 0 325.412 2.877 50 0 EFAARN COc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187068 286246016 /nfs/dbraw/zinc/24/60/16/286246016.db2.gz FJJFUMBHEOHXLC-YOEHRIQHSA-N 0 0 338.363 2.570 50 0 biogenic EFAARN COc1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187071 286248255 /nfs/dbraw/zinc/24/82/55/286248255.db2.gz FJJFUMBHEOHXLC-WMLDXEAASA-N 0 0 338.363 2.570 50 0 biogenic EFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC(C)(C)C)nn1C)C2 ZINC000032090266 286257342 /nfs/dbraw/zinc/25/73/42/286257342.db2.gz IUJARXHQOZRRCE-UHFFFAOYSA-N 0 0 329.400 2.537 50 0 EFAARN COc1cc2c(cc1C)C(=O)[C@H]([C@@]1(O)C(=O)Nc3ccccc31)CC2 ZINC000000070298 286253448 /nfs/dbraw/zinc/25/34/48/286253448.db2.gz VRPFFZIILFMLRJ-FOIQADDNSA-N 0 0 337.375 2.589 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)cc1OC ZINC000067855267 286360281 /nfs/dbraw/zinc/36/02/81/286360281.db2.gz KECAZYDGNUSNKD-LBPRGKRZSA-N 0 0 327.384 2.711 50 0 EFAARN COc1ccc([C@@H]2c3c(C)onc3C[C@](C)(O)[C@H]2C(C)=O)cc1OC ZINC000003894342 286365937 /nfs/dbraw/zinc/36/59/37/286365937.db2.gz NLXCKNGJJCILBJ-QYZOEREBSA-N 0 0 345.395 2.644 50 0 biogenic EFAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O2 ZINC000008961448 292333510 /nfs/dbraw/zinc/33/35/10/292333510.db2.gz IKVOTJSKSFIBKD-UHFFFAOYSA-N 0 0 332.381 2.749 50 0 EFAARN C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000004679808 287247009 /nfs/dbraw/zinc/24/70/09/287247009.db2.gz IYAUJDXMNAZGAJ-UDZFHETQSA-N 0 0 327.306 2.581 50 0 EFAARN CC[C@@H]1C[C@]2(C)NC(=O)c3c4c(sc3N2C1=O)COC(C)(C)C4 ZINC000000553973 287312112 /nfs/dbraw/zinc/31/21/12/287312112.db2.gz MCUUPBUDSNANFJ-VVVCHXIZSA-N 0 0 334.441 2.822 50 0 EFAARN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1ccccn1 ZINC000012319113 544425037 /nfs/dbraw/zinc/42/50/37/544425037.db2.gz VXPQGMPRZQWGQN-IBGZPJMESA-N 0 0 347.422 2.870 50 0 EFAARN COc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000000993404 262518978 /nfs/dbraw/zinc/51/89/78/262518978.db2.gz RTZSBNUANDQEBA-AWEZNQCLSA-N 0 0 325.364 2.962 50 0 EFAARN COc1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1OC ZINC000281434169 273434733 /nfs/dbraw/zinc/43/47/33/273434733.db2.gz YPEVHPLDKMRSIR-HNNXBMFYSA-N 0 0 329.400 2.805 50 0 EFAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccsc1 ZINC000008896196 273805233 /nfs/dbraw/zinc/80/52/33/273805233.db2.gz NDGSCCOYQJWLJN-AWEZNQCLSA-N 0 0 344.889 2.983 50 0 EFAARN C[C@@H]([C@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O ZINC000043135893 274275355 /nfs/dbraw/zinc/27/53/55/274275355.db2.gz NEYMFDJFZULCQI-APPDUMDISA-N 0 0 326.327 2.937 50 0 EFAARN Cn1ccnc1-c1ccc(N2CCc3c4ccccc4[nH]c3C2)nn1 ZINC000067909552 274896750 /nfs/dbraw/zinc/89/67/50/274896750.db2.gz LHIGCWVQXUSIQS-UHFFFAOYSA-N 0 0 330.395 2.921 50 0 EFAARN O=C1C2=C(CN1CCCc1ccccc1)NC(=O)N[C@@H]2c1ccccc1 ZINC000012345481 275016575 /nfs/dbraw/zinc/01/65/75/275016575.db2.gz JYDKCVWIMWADGN-LJQANCHMSA-N 0 0 347.418 2.770 50 0 EFAARN O=C1[C@@H]2ON=C(c3cccnc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000101358833 275028798 /nfs/dbraw/zinc/02/87/98/275028798.db2.gz OQXHZOSVLAWZRT-SJLPKXTDSA-N 0 0 343.342 2.527 50 0 EFAARN O=c1nc2n(n1Cc1ccccc1)C(=O)N(c1ccc(Cl)cc1)C2 ZINC000032072201 275044210 /nfs/dbraw/zinc/04/42/10/275044210.db2.gz YLXFQNFLFTVLIH-UHFFFAOYSA-N 0 0 340.770 2.735 50 0 EFAARN c1ccc2c(c1)OC[C@@H](c1nnc3sc(-c4ccncc4)nn31)O2 ZINC000001016517 275070716 /nfs/dbraw/zinc/07/07/16/275070716.db2.gz HUSINSMIQGQQLO-ZDUSSCGKSA-N 0 0 337.364 2.760 50 0 EFAARN CC(C)c1noc(CN2CCC3(CC2)Nc2ccccc2NC3=O)n1 ZINC000082086656 276078200 /nfs/dbraw/zinc/07/82/00/276078200.db2.gz HLTOUMBLCOESNF-UHFFFAOYSA-N 0 0 341.415 2.592 50 0 EFAARN CC1(C)Cc2cc3c(nc2CO1)[nH]c(=S)n(-c1ccccc1)c3=O ZINC000005686087 276150928 /nfs/dbraw/zinc/15/09/28/276150928.db2.gz URNYSHIDQPAFGL-UHFFFAOYSA-N 0 0 339.420 2.921 50 0 EFAARN CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(C)cc1)CC2=O ZINC000010339441 276297605 /nfs/dbraw/zinc/29/76/05/276297605.db2.gz OIWWIZAGOAWNOB-CYBMUJFWSA-N 0 0 325.364 2.773 50 0 EFAARN CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N ZINC000006759781 276304677 /nfs/dbraw/zinc/30/46/77/276304677.db2.gz BDTRBMBPEZUYSV-UHFFFAOYSA-N 0 0 331.763 2.512 50 0 EFAARN CCOc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O ZINC000004910746 276493746 /nfs/dbraw/zinc/49/37/46/276493746.db2.gz UUXYEVWWLJZMHZ-LLVKDONJSA-N 0 0 327.336 2.994 50 0 EFAARN CN(C)n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397337 276909245 /nfs/dbraw/zinc/90/92/45/276909245.db2.gz PUDHOJNPCSGYMW-UHFFFAOYSA-N 0 0 339.786 2.562 50 0 EFAARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000135682195 277020154 /nfs/dbraw/zinc/02/01/54/277020154.db2.gz XFNDAQQYMBQVPO-HRCADAONSA-N 0 0 342.782 2.816 50 0 EFAARN CC(=O)Nc1ccc([C@H]2c3[nH]cnc3CCN2Cc2ccccn2)cc1 ZINC000067956493 277083880 /nfs/dbraw/zinc/08/38/80/277083880.db2.gz YFOKSVOHBDMZLD-FQEVSTJZSA-N 0 0 347.422 2.911 50 0 EFAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=S)n2C1CCCC1 ZINC000012394824 277151014 /nfs/dbraw/zinc/15/10/14/277151014.db2.gz YCWVNNNSLINFKN-UHFFFAOYSA-N 0 0 345.424 2.859 50 0 EFAARN CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC000091302890 277181881 /nfs/dbraw/zinc/18/18/81/277181881.db2.gz BPXAKAVXORPYFV-UHFFFAOYSA-N 0 0 330.428 2.876 50 0 EFAARN CC(C)(C)c1nnc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)s1 ZINC000002709896 277279396 /nfs/dbraw/zinc/27/93/96/277279396.db2.gz VZVDRMAJARYQOG-QGZVFWFLSA-N 0 0 345.424 2.946 50 0 EFAARN CC(C)(C)n1nc(-c2ccc(C(N)=O)cc2)nc1CCc1cccnc1 ZINC000095362582 277285800 /nfs/dbraw/zinc/28/58/00/277285800.db2.gz RQEUAYFYMKAQLA-UHFFFAOYSA-N 0 0 349.438 2.979 50 0 EFAARN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OC)c2ccccc21 ZINC000000451907 277310785 /nfs/dbraw/zinc/31/07/85/277310785.db2.gz GDXHRKCGMOHUTI-INIZCTEOSA-N 0 0 326.352 2.649 50 0 EFAARN COc1c2c(cc3c1[C@@H](C(=O)Nc1ccccc1)N(C)CC3)OCO2 ZINC000035882663 277365514 /nfs/dbraw/zinc/36/55/14/277365514.db2.gz DSGPKLJXRHWHBT-INIZCTEOSA-N 0 0 340.379 2.592 50 0 biogenic EFAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)ccc1O ZINC000009764290 277388574 /nfs/dbraw/zinc/38/85/74/277388574.db2.gz RWRLOBFZQQWHCL-MRXNPFEDSA-N 0 0 337.331 2.682 50 0 EFAARN COC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000000090151 277417779 /nfs/dbraw/zinc/41/77/79/277417779.db2.gz DURFPPKOGFMMIE-UHFFFAOYSA-N 0 0 348.362 2.951 50 0 EFAARN CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000016975041 277499946 /nfs/dbraw/zinc/49/99/46/277499946.db2.gz FRONUBKFOLCQPJ-UHFFFAOYSA-N 0 0 330.409 2.651 50 0 EFAARN CO[C@@H]1CCCOC12CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000095366031 277646392 /nfs/dbraw/zinc/64/63/92/277646392.db2.gz APZBXQAEZAJVQY-GOSISDBHSA-N 0 0 342.439 2.897 50 0 EFAARN COc1c(I)cc(Br)cc1C=O ZINC000002765894 277790078 /nfs/dbraw/zinc/79/00/78/277790078.db2.gz DWCUASQBQQZNIQ-UHFFFAOYSA-N 0 0 340.942 2.875 50 0 EFAARN COc1cc([C@@H]2SCC(=O)Nc3c2cnn3C)cc(OC)c1OC ZINC000049545179 277838318 /nfs/dbraw/zinc/83/83/18/277838318.db2.gz DWMDZFCOPXBKDX-HNNXBMFYSA-N 0 0 349.412 2.870 50 0 EFAARN COc1ccc(-c2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 ZINC000001204630 277862374 /nfs/dbraw/zinc/86/23/74/277862374.db2.gz BYORGJZNSDWDNL-UHFFFAOYSA-N 0 0 327.409 2.726 50 0 EFAARN COc1ccc(C2=Nn3c(=O)c4sccc4nc3SC2)cc1 ZINC000004784002 277884858 /nfs/dbraw/zinc/88/48/58/277884858.db2.gz CZNSHLXJERIYFX-UHFFFAOYSA-N 0 0 329.406 2.825 50 0 EFAARN COc1ccc(N2CN(C(C)C)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000036125662 277909503 /nfs/dbraw/zinc/90/95/03/277909503.db2.gz YOYFPYCPXUABEG-UHFFFAOYSA-N 0 0 328.416 2.646 50 0 EFAARN CC(=O)C(C(C)=O)[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O ZINC000101198171 277929630 /nfs/dbraw/zinc/92/96/30/277929630.db2.gz CZZPUROAXANYBJ-GOSISDBHSA-N 0 0 334.375 2.849 50 0 EFAARN CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000003823565 278074606 /nfs/dbraw/zinc/07/46/06/278074606.db2.gz JACAAXNEHGBPOQ-LLVKDONJSA-N 0 0 337.379 2.543 50 0 investigational EFAARN CC(=O)N1c2ccccc2[C@]2(SCC(=O)N2c2ccccc2)C1=O ZINC000012364184 278077888 /nfs/dbraw/zinc/07/78/88/278077888.db2.gz CPIVMFIUJZIKRR-SFHVURJKSA-N 0 0 338.388 2.513 50 0 EFAARN C[C@@]1(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCCCO1 ZINC000077456906 278117556 /nfs/dbraw/zinc/11/75/56/278117556.db2.gz OHKUNUPYXYREHK-IBGZPJMESA-N 0 0 334.435 2.819 50 0 EFAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1cc2ccccc2[nH]c1=O ZINC000071282584 278119856 /nfs/dbraw/zinc/11/98/56/278119856.db2.gz BQMILEUNFQVYJR-LLVKDONJSA-N 0 0 338.367 2.722 50 0 EFAARN CC1(C)CN(C(=O)CC2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1 ZINC000091665850 278297288 /nfs/dbraw/zinc/29/72/88/278297288.db2.gz IGEPVYKTJVRSAD-KRWDZBQOSA-N 0 0 349.496 2.854 50 0 EFAARN CC1(C)OCC2(CN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)CO1 ZINC000070971944 278411480 /nfs/dbraw/zinc/41/14/80/278411480.db2.gz KOOUMVGSABZLCW-UHFFFAOYSA-N 0 0 345.317 2.810 50 0 EFAARN C[C@@H]1C(=O)N(c2ccccc2)CCN1C(=O)c1cnc2ccccc2n1 ZINC000220170566 278433244 /nfs/dbraw/zinc/43/32/44/278433244.db2.gz ABVOWNLGJMSVNV-CQSZACIVSA-N 0 0 346.390 2.507 50 0 EFAARN Cc1n[nH]c(C)c1[C@H](N)C(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000091364489 279057465 /nfs/dbraw/zinc/05/74/65/279057465.db2.gz DHJMRFSIZVNKND-SFHVURJKSA-N 0 0 336.439 2.614 50 0 EFAARN Cc1nc([C@@H]2CN(Cc3ccccc3C(F)(F)F)CCO2)no1 ZINC000095958094 279106848 /nfs/dbraw/zinc/10/68/48/279106848.db2.gz YDRQOQWKPPHRHH-ZDUSSCGKSA-N 0 0 327.306 2.970 50 0 EFAARN CCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)c(Cl)c1)NC(=O)N2C ZINC000057531491 279256166 /nfs/dbraw/zinc/25/61/66/279256166.db2.gz ADXKMNBQMFVHKC-CYBMUJFWSA-N 0 0 340.210 2.806 50 0 EFAARN Cn1ccnc1CN(Cc1cc(F)ccc1-n1cccn1)C1CC1 ZINC000097805479 279374017 /nfs/dbraw/zinc/37/40/17/279374017.db2.gz LKIQCKODAYEEHI-UHFFFAOYSA-N 0 0 325.391 2.910 50 0 EFAARN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000013745537 279580185 /nfs/dbraw/zinc/58/01/85/279580185.db2.gz YFNPKGKNRBORCG-GFCCVEGCSA-N 0 0 326.418 2.818 50 0 EFAARN CCOc1cccc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)c1 ZINC000065526793 279974571 /nfs/dbraw/zinc/97/45/71/279974571.db2.gz ANWBOZPYFJGGRN-ZDUSSCGKSA-N 0 0 331.441 2.760 50 0 EFAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)[C@@H]1CCCO1 ZINC000079477111 280023622 /nfs/dbraw/zinc/02/36/22/280023622.db2.gz LQVKAKQHFCXDDW-AWEZNQCLSA-N 0 0 325.324 2.941 50 0 EFAARN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N12 ZINC000000490454 280120628 /nfs/dbraw/zinc/12/06/28/280120628.db2.gz TWIAYLVYIVFTGO-SJCJKPOMSA-N 0 0 349.390 2.618 50 0 biogenic EFAARN Cc1c(-c2cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)[nH]n2)cnn1C ZINC000071755019 280195300 /nfs/dbraw/zinc/19/53/00/280195300.db2.gz FKQBPZQDAVBXLK-QGZVFWFLSA-N 0 0 339.374 2.845 50 0 EFAARN Cc1c(C)n(-c2nccs2)c2ncn(Cc3ccccn3)c(=N)c12 ZINC000100918846 280223879 /nfs/dbraw/zinc/22/38/79/280223879.db2.gz JCJTXORTIFXREC-UHFFFAOYSA-N 0 0 336.424 2.823 50 0 EFAARN CC[C@@H]1CCCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000004870219 280247465 /nfs/dbraw/zinc/24/74/65/280247465.db2.gz FSOZNPFCONLNMJ-LLVKDONJSA-N 0 0 337.221 2.897 50 0 EFAARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)[C@H]2Cc3ccccc3CN12 ZINC000004030015 280263637 /nfs/dbraw/zinc/26/36/37/280263637.db2.gz GSFNMRLCSSWPQN-QGZVFWFLSA-N 0 0 340.810 2.636 50 0 biogenic EFAARN O=C1C[C@H](c2cnc3ccccc3n2)c2cc3c(cc2N1)OCCO3 ZINC000065497932 280274276 /nfs/dbraw/zinc/27/42/76/280274276.db2.gz YSKHTKIXMXONOY-LBPRGKRZSA-N 0 0 333.347 2.875 50 0 EFAARN Cc1cc(C(=O)Nc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)no1 ZINC000090582993 280373415 /nfs/dbraw/zinc/37/34/15/280373415.db2.gz VLLLISSXSCSHLD-NSHDSACASA-N 0 0 340.339 2.714 50 0 EFAARN O=c1c2ccccc2nc(-c2ccccc2)n1CCCN1CCOCC1 ZINC000020519020 280391923 /nfs/dbraw/zinc/39/19/23/280391923.db2.gz NFZRCUFUBRDVTD-UHFFFAOYSA-N 0 0 349.434 2.786 50 0 EFAARN Cc1cccc(-n2c(NN)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000000547630 281187301 /nfs/dbraw/zinc/18/73/01/281187301.db2.gz NRUYYIMLYSECIA-UHFFFAOYSA-N 0 0 326.425 2.920 50 0 EFAARN Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)c1O ZINC000000352141 281193295 /nfs/dbraw/zinc/19/32/95/281193295.db2.gz BKXSQRZARAOITK-XHDPSFHLSA-N 0 0 342.317 2.954 50 0 EFAARN CC[C@H]1COCCN1S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000077287249 281209619 /nfs/dbraw/zinc/20/96/19/281209619.db2.gz JTZRJKRUQAPKRV-LBPRGKRZSA-N 0 0 338.454 2.610 50 0 EFAARN Cc1cccc(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)n1 ZINC000006755939 281242444 /nfs/dbraw/zinc/24/24/44/281242444.db2.gz ALSHDVZRIIJLSH-UHFFFAOYSA-N 0 0 336.376 2.865 50 0 EFAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3)N2C1=O ZINC000003066840 281254309 /nfs/dbraw/zinc/25/43/09/281254309.db2.gz QQFDNAQMTPRRSV-OCCSQVGLSA-N 0 0 330.409 2.898 50 0 EFAARN Cc1ccccc1-c1nc2s/c(=C\c3cccs3)c(=O)n2n1 ZINC000000498504 281328116 /nfs/dbraw/zinc/32/81/16/281328116.db2.gz GPXRZZRYOPBGQQ-LCYFTJDESA-N 0 0 325.418 2.736 50 0 EFAARN CCc1c(C)scc1C(=O)NN1C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C1=O ZINC000020191638 281369091 /nfs/dbraw/zinc/36/90/91/281369091.db2.gz DPYXJNKOUUOECB-ZIAGYGMSSA-N 0 0 346.452 2.995 50 0 EFAARN CC1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)CC1 ZINC000057355160 281803604 /nfs/dbraw/zinc/80/36/04/281803604.db2.gz FUISWKDSMWWUCU-YJBOKZPZSA-N 0 0 332.419 2.994 50 0 EFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000057279934 288652737 /nfs/dbraw/zinc/65/27/37/288652737.db2.gz CJHQTGKWRACOLD-TXEJJXNPSA-N 0 0 336.457 2.583 50 0 EFAARN C[C@@](O)(CCc1ccccc1)CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000062021532 289117422 /nfs/dbraw/zinc/11/74/22/289117422.db2.gz DKOPDYDYSAMATP-LJQANCHMSA-N 0 0 342.395 2.921 50 0 EFAARN C[C@@]1(c2ccccc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 ZINC000008681087 289217229 /nfs/dbraw/zinc/21/72/29/289217229.db2.gz OBGAHUXKCOFNDS-YOEHRIQHSA-N 0 0 340.477 2.728 50 0 EFAARN CN1C(=O)CC[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(F)c1 ZINC000072241930 289805313 /nfs/dbraw/zinc/80/53/13/289805313.db2.gz OZENRJBPWUWHGW-JSGCOSHPSA-N 0 0 333.388 2.830 50 0 EFAARN CN1CCC[C@@]2(CCN(C(=O)C3(c4ccccc4)CCCC3)C2)C1=O ZINC000091782509 289967594 /nfs/dbraw/zinc/96/75/94/289967594.db2.gz KLCYZIYUGQGMKD-FQEVSTJZSA-N 0 0 340.467 2.969 50 0 EFAARN Cc1nc(NC(=O)[C@H](C)N2CCC[C@@H](c3ccnn3C)C2)sc1C ZINC000229219528 293331576 /nfs/dbraw/zinc/33/15/76/293331576.db2.gz HDRZFWLXJCCPLQ-GXTWGEPZSA-N 0 0 347.488 2.700 50 0 EFAARN Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(N)=O)c1-c1ccccc1 ZINC000001053956 294076351 /nfs/dbraw/zinc/07/63/51/294076351.db2.gz JSVVSUGPYWOVNG-LBPRGKRZSA-N 0 0 330.409 2.940 50 0 EFAARN Cc1sc(NC(=O)c2cnccn2)c(C(N)=O)c1-c1ccccc1 ZINC000001056230 294078361 /nfs/dbraw/zinc/07/83/61/294078361.db2.gz LEOBIROOQNNIJX-UHFFFAOYSA-N 0 0 338.392 2.865 50 0 EFAARN Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cn1 ZINC000079480149 294289732 /nfs/dbraw/zinc/28/97/32/294289732.db2.gz UWSHRYFTIDSGKI-ZDUSSCGKSA-N 0 0 333.417 2.862 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000005177680 295024800 /nfs/dbraw/zinc/02/48/00/295024800.db2.gz GDNXMYHQDITEBI-ZJUUUORDSA-N 0 0 337.253 2.647 50 0 EFAARN N=c1oc2c(Br)cc(Br)cc2cc1C(N)=O ZINC000004025949 295030171 /nfs/dbraw/zinc/03/01/71/295030171.db2.gz FMJMZJDFWVXJAO-UHFFFAOYSA-N 0 0 345.978 2.536 50 0 biogenic EFAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(C)=O)c1 ZINC000004062685 295184422 /nfs/dbraw/zinc/18/44/22/295184422.db2.gz VCBOLOIVNQPCAM-WDSOQIARSA-N 0 0 333.428 2.918 50 0 biogenic EFAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 ZINC000000184396 295226031 /nfs/dbraw/zinc/22/60/31/295226031.db2.gz HEMLHOZTHHKXFK-RYUDHWBXSA-N 0 0 340.305 2.651 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1CCc2ccccc2C1 ZINC000032124219 295277682 /nfs/dbraw/zinc/27/76/82/295277682.db2.gz BZPJFVVBCIVUJE-SFHVURJKSA-N 0 0 325.364 2.931 50 0 biogenic EFAARN Nc1ccc(-c2ccc(S(=O)(=O)c3cccc(N)c3)cc2N)cc1 ZINC000000334973 295349684 /nfs/dbraw/zinc/34/96/84/295349684.db2.gz QSVALUVLFXVSNI-UHFFFAOYSA-N 0 0 339.420 2.933 50 0 EFAARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1C(OC)OC ZINC000000381928 295368273 /nfs/dbraw/zinc/36/82/73/295368273.db2.gz AHNAZRSKUVGBTE-INIZCTEOSA-N 0 0 328.368 2.713 50 0 aggregator EFAARN O=C(/C=C/c1ccco1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096103394 295395872 /nfs/dbraw/zinc/39/58/72/295395872.db2.gz KOPCNQPGEMMMBM-NKSUMMKUSA-N 0 0 345.420 2.758 50 0 EFAARN C[C@@]1(C(=O)N2CCCCC2)CC1(Br)Br ZINC000002772295 297858585 /nfs/dbraw/zinc/85/85/85/297858585.db2.gz VIHWJLYYPCWNGJ-VIFPVBQESA-N 0 0 325.044 2.895 50 0 EFAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(C1CCCC1)C2=O ZINC000004029607 297943796 /nfs/dbraw/zinc/94/37/96/297943796.db2.gz YQQXFJHMACXKFT-FQEVSTJZSA-N 0 0 337.423 2.553 50 0 biogenic EFAARN O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCCCCC1 ZINC000010327443 304594691 /nfs/dbraw/zinc/59/46/91/304594691.db2.gz RXWZYIYHWVWINR-UHFFFAOYSA-N 0 0 331.441 2.651 50 0 EFAARN Cc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(-c2ccccc2)n1 ZINC000057526426 301067514 /nfs/dbraw/zinc/06/75/14/301067514.db2.gz BIKREFKNLANQMJ-UHFFFAOYSA-N 0 0 333.391 2.882 50 0 EFAARN O=C1[C@H]2[C@@H](C(=O)N1CCCCO)C1c3ccccc3C2c2ccccc21 ZINC000013400770 304719502 /nfs/dbraw/zinc/71/95/02/304719502.db2.gz VBTDEFXEKZEBDN-KHSMEXAKSA-N 0 0 347.414 2.651 50 0 EFAARN Cc1cc(C)n(CCN(C)C(=O)[C@H](c2ccccc2C)N(C)C)n1 ZINC000095382105 301239736 /nfs/dbraw/zinc/23/97/36/301239736.db2.gz PKNXKBDRNRLRPK-SFHVURJKSA-N 0 0 328.460 2.570 50 0 EFAARN Cc1nn(C)c2c1[C@H](c1cc(F)ccc1-n1cccn1)CC(=O)N2 ZINC000065434668 302788773 /nfs/dbraw/zinc/78/87/73/302788773.db2.gz HZWJVLXSBVCICY-ZDUSSCGKSA-N 0 0 325.347 2.527 50 0 EFAARN Cn1nc(NC(=O)c2ccco2)c2c1NC(=O)C[C@H]2c1ccccc1 ZINC000038519596 303044243 /nfs/dbraw/zinc/04/42/43/303044243.db2.gz OWZODSHERNJEIH-LBPRGKRZSA-N 0 0 336.351 2.740 50 0 EFAARN N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000009356625 303232882 /nfs/dbraw/zinc/23/28/82/303232882.db2.gz 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COc1cccc(-c2cc(C(=O)Nc3nnc(C(C)C)[nH]3)n[nH]2)c1 ZINC000095479166 473212501 /nfs/dbraw/zinc/21/25/01/473212501.db2.gz XHDBQKUNGIDMTO-UHFFFAOYSA-N 0 0 326.360 2.579 50 0 EFAARN COc1ccc(N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)nn1 ZINC000095479520 473212750 /nfs/dbraw/zinc/21/27/50/473212750.db2.gz IIIFQNHGYMGOPG-HOCLYGCPSA-N 0 0 340.427 2.579 50 0 EFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)NCc2cccn2C)cc1 ZINC000095478697 473213010 /nfs/dbraw/zinc/21/30/10/473213010.db2.gz KVURTPJVIXHAIP-UHFFFAOYSA-N 0 0 338.411 2.591 50 0 EFAARN Cc1nn(C)c2nc(N3CCC(O)(c4ccc(F)cc4)CC3)sc12 ZINC000095499217 473213266 /nfs/dbraw/zinc/21/32/66/473213266.db2.gz APFKMYZSMRVION-UHFFFAOYSA-N 0 0 346.431 2.965 50 0 EFAARN O=C1C[C@@H](Cc2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 ZINC000095497821 473213474 /nfs/dbraw/zinc/21/34/74/473213474.db2.gz OWHOGDQKAIXDES-OAHLLOKOSA-N 0 0 334.379 2.723 50 0 EFAARN CCN1CC2(CC1=O)CCN(c1nccc(C3CCCC3)n1)CC2 ZINC000095498319 473213638 /nfs/dbraw/zinc/21/36/38/473213638.db2.gz 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Cc1nn(C)c2nc(N(C)C[C@H]3CC(=O)N(C4CCCC4)C3)sc12 ZINC000095508097 473217194 /nfs/dbraw/zinc/21/71/94/473217194.db2.gz LEUVOVJEXOZRLZ-GFCCVEGCSA-N 0 0 347.488 2.566 50 0 EFAARN C[C@H](c1nccs1)N(C)C(=O)CN1CC2(CC1=O)CCCCC2 ZINC000095512732 473218188 /nfs/dbraw/zinc/21/81/88/473218188.db2.gz WHUWMUSAWVVLLK-CYBMUJFWSA-N 0 0 335.473 2.845 50 0 EFAARN CCCc1ccc([C@@H](C)NC(=O)Cn2cccc(OC)c2=O)cc1 ZINC000095520777 473219007 /nfs/dbraw/zinc/21/90/07/473219007.db2.gz LJTMOFUTXATXKP-CQSZACIVSA-N 0 0 328.412 2.687 50 0 EFAARN Cc1nn(C(C)C)c(C)c1CNC(=O)[C@@H]1COc2ccccc2C1 ZINC000095528799 473220741 /nfs/dbraw/zinc/22/07/41/473220741.db2.gz SYHQDHDDBFCSOT-INIZCTEOSA-N 0 0 327.428 2.948 50 0 EFAARN CCN1CCN(C(=O)Nc2cc(C)c(F)cc2Cl)[C@@H](C)C1=O ZINC000095521610 473219202 /nfs/dbraw/zinc/21/92/02/473219202.db2.gz ZDKMBSIVCYSEKX-JTQLQIEISA-N 0 0 327.787 2.872 50 0 EFAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000095521976 473219466 /nfs/dbraw/zinc/21/94/66/473219466.db2.gz 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/nfs/dbraw/zinc/22/10/10/473221010.db2.gz LXBWARYAUKWBHI-LJQANCHMSA-N 0 0 348.402 2.984 50 0 EFAARN Cc1nn(C)c2nc(N(CCCO)Cc3ccc(F)cc3)sc12 ZINC000095527567 473221221 /nfs/dbraw/zinc/22/12/21/473221221.db2.gz MPVLIRVHPXATOA-UHFFFAOYSA-N 0 0 334.420 2.866 50 0 EFAARN CCOc1ccc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)o1 ZINC000095525977 473221326 /nfs/dbraw/zinc/22/13/26/473221326.db2.gz ZDWOQHHRIFBYMW-GFCCVEGCSA-N 0 0 331.368 2.668 50 0 EFAARN Cc1ccccc1[C@H](C(=O)N(C)CC(=O)c1ccc(O)cc1)N(C)C ZINC000095527303 473221343 /nfs/dbraw/zinc/22/13/43/473221343.db2.gz RIFNHZQHVVTOFB-LJQANCHMSA-N 0 0 340.423 2.645 50 0 EFAARN COC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000095530270 473221783 /nfs/dbraw/zinc/22/17/83/473221783.db2.gz JZSMULWVGSUWTP-NSHDSACASA-N 0 0 326.780 2.769 50 0 EFAARN CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1[C@@H]1CCC(F)(F)C1 ZINC000095742857 473223184 /nfs/dbraw/zinc/22/31/84/473223184.db2.gz JAVXOHKAALBEQH-RKDXNWHRSA-N 0 0 330.766 2.879 50 0 EFAARN CC(C)c1nnc2n1C[C@@H](Nc1nccc(C(F)(F)F)n1)CC2 ZINC000095958011 473230044 /nfs/dbraw/zinc/23/00/44/473230044.db2.gz FSSVTGNRVLYDJI-VIFPVBQESA-N 0 0 326.326 2.637 50 0 EFAARN Cc1nc([C@H]2CN(Cc3cc(F)cc4cccnc43)CCO2)no1 ZINC000095958033 473230365 /nfs/dbraw/zinc/23/03/65/473230365.db2.gz MOEFPCLYWSGKKN-OAHLLOKOSA-N 0 0 328.347 2.639 50 0 EFAARN CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CCO1 ZINC000141053444 473250908 /nfs/dbraw/zinc/25/09/08/473250908.db2.gz UYHGJISLQLUZPX-UHFFFAOYSA-N 0 0 336.388 2.808 50 0 EFAARN CC(C)n1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cn1 ZINC000112284718 473253120 /nfs/dbraw/zinc/25/31/20/473253120.db2.gz FIEXQFRCEHQEQR-JKSUJKDBSA-N 0 0 332.448 2.831 50 0 EFAARN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000141215145 473251614 /nfs/dbraw/zinc/25/16/14/473251614.db2.gz KOMXHBTWUSKPAQ-UHFFFAOYSA-N 0 0 325.430 2.860 50 0 EFAARN CCSc1ccccc1N1CCN(CCCNC(=O)OC)CC1 ZINC000096026651 473257095 /nfs/dbraw/zinc/25/70/95/473257095.db2.gz DFRXWXYXBCBLDZ-UHFFFAOYSA-N 0 0 337.489 2.667 50 0 EFAARN O=C1C[C@]2(CCN(S(=O)(=O)c3cccs3)C2)Oc2ccccc21 ZINC000096025588 473257680 /nfs/dbraw/zinc/25/76/80/473257680.db2.gz UWVWWRGHNZXNMB-INIZCTEOSA-N 0 0 349.433 2.547 50 0 EFAARN O=C(NCc1cccs1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112386979 473264068 /nfs/dbraw/zinc/26/40/68/473264068.db2.gz SBUZJVVFZHTYKG-UHFFFAOYSA-N 0 0 349.481 2.867 50 0 EFAARN COc1ccccc1-c1cc(-c2nc(-c3ccc(C)nn3)no2)n[nH]1 ZINC000082087786 473285842 /nfs/dbraw/zinc/28/58/42/473285842.db2.gz RDPUORFOIOBMSU-UHFFFAOYSA-N 0 0 334.339 2.901 50 0 EFAARN CCCc1cc(C(=O)NCc2nn(C)c3cccc(Cl)c23)n(C)n1 ZINC000082087560 473286129 /nfs/dbraw/zinc/28/61/29/473286129.db2.gz PIEXAGGTFIWFIC-UHFFFAOYSA-N 0 0 345.834 2.843 50 0 EFAARN CC(=O)N(C(C)=O)c1cc(Cl)c(N(C(C)=O)C(C)=O)cc1Cl ZINC000082048671 473286508 /nfs/dbraw/zinc/28/65/08/473286508.db2.gz SJPBZTWPPJKLBP-UHFFFAOYSA-N 0 0 345.182 2.792 50 0 EFAARN Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CCn4cccn4)C3)nc21 ZINC000082092711 473287518 /nfs/dbraw/zinc/28/75/18/473287518.db2.gz WDXZUTUAWSKCJJ-HNNXBMFYSA-N 0 0 337.427 2.864 50 0 EFAARN Cc1ccc(N2C[C@@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)cc1 ZINC000082096868 473287999 /nfs/dbraw/zinc/28/79/99/473287999.db2.gz VXMKLRAALVZGAA-OAHLLOKOSA-N 0 0 338.407 2.887 50 0 EFAARN Cc1ccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)cc1 ZINC000082096867 473288030 /nfs/dbraw/zinc/28/80/30/473288030.db2.gz VXMKLRAALVZGAA-HNNXBMFYSA-N 0 0 338.407 2.887 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CCCN(c2ccccc2)CC1 ZINC000082092386 473288180 /nfs/dbraw/zinc/28/81/80/473288180.db2.gz XWNVIRMTBNOMCN-UHFFFAOYSA-N 0 0 327.428 2.963 50 0 EFAARN Cc1nccn1C[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000082098920 473288614 /nfs/dbraw/zinc/28/86/14/473288614.db2.gz KIWVMEYDHUAQDW-SFHVURJKSA-N 0 0 336.443 2.748 50 0 EFAARN COc1cccc(-c2nccn2C[C@@H](O)c2cccnc2)c1OC ZINC000082107268 473288768 /nfs/dbraw/zinc/28/87/68/473288768.db2.gz PTDJJMOEQRHINF-OAHLLOKOSA-N 0 0 325.368 2.696 50 0 EFAARN O=C([C@@H]1CCc2ccccc21)N1CCCN(Cc2ccncc2)CC1 ZINC000082107000 473289696 /nfs/dbraw/zinc/28/96/96/473289696.db2.gz ZTSGIUMTBNHETE-HXUWFJFHSA-N 0 0 335.451 2.846 50 0 EFAARN COc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)cc1F ZINC000082108806 473290945 /nfs/dbraw/zinc/29/09/45/473290945.db2.gz CWHGJMJUGNKMPW-AWEZNQCLSA-N 0 0 331.391 2.892 50 0 EFAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCc2ccccc2C1 ZINC000082114584 473291013 /nfs/dbraw/zinc/29/10/13/473291013.db2.gz WPNHIMOVNZBYRB-KRWDZBQOSA-N 0 0 348.406 2.895 50 0 EFAARN CCn1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1=O ZINC000082114456 473291442 /nfs/dbraw/zinc/29/14/42/473291442.db2.gz FJXUQXSQAZJMJH-UHFFFAOYSA-N 0 0 344.386 2.691 50 0 EFAARN CCc1nc(C)c(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)o1 ZINC000082121785 473291877 /nfs/dbraw/zinc/29/18/77/473291877.db2.gz RQNCMQXXDARLMU-ZDUSSCGKSA-N 0 0 341.411 2.731 50 0 EFAARN CCCc1cc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)no1 ZINC000082120062 473292610 /nfs/dbraw/zinc/29/26/10/473292610.db2.gz FUNATSOKKIMANA-INIZCTEOSA-N 0 0 339.399 2.780 50 0 EFAARN Cc1nc(C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc(=O)[nH]1 ZINC000082120283 473292970 /nfs/dbraw/zinc/29/29/70/473292970.db2.gz HSPVSRFZWOABJZ-KRWDZBQOSA-N 0 0 337.423 2.514 50 0 EFAARN CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2c1C(C)(C)NC2 ZINC000145412286 473293144 /nfs/dbraw/zinc/29/31/44/473293144.db2.gz LXCRCKKAHORFTD-UHFFFAOYSA-N 0 0 346.362 2.617 50 0 EFAARN COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2C1 ZINC000096096296 473294617 /nfs/dbraw/zinc/29/46/17/473294617.db2.gz GSBZUCXYUPHFIY-UHFFFAOYSA-N 0 0 346.408 2.612 50 0 EFAARN Cn1ccnc1CC[C@H]1CCCCN1C(=O)c1cnn2ccccc12 ZINC000082134832 473293988 /nfs/dbraw/zinc/29/39/88/473293988.db2.gz YABFBEMFJAWJQL-OAHLLOKOSA-N 0 0 337.427 2.695 50 0 EFAARN CC(C)c1noc([C@H]2CCCN2C(=O)c2cnn3ccccc23)n1 ZINC000082126683 473294012 /nfs/dbraw/zinc/29/40/12/473294012.db2.gz OPTWVBAPSVSLKA-CQSZACIVSA-N 0 0 325.372 2.818 50 0 EFAARN O=C([O-])C1(Oc2cccc(F)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000082136731 473294113 /nfs/dbraw/zinc/29/41/13/473294113.db2.gz UQPNJSJNRKWYRT-UHFFFAOYSA-N 0 0 330.359 2.719 50 0 EFAARN O=C(NCCn1ccc(-c2ccccn2)n1)NCc1cccs1 ZINC000096098939 473294284 /nfs/dbraw/zinc/29/42/84/473294284.db2.gz ZRWPYNCTNGJUPL-UHFFFAOYSA-N 0 0 327.413 2.506 50 0 EFAARN O=S(=O)(NCC[C@@H](O)c1cc2ccccc2o1)c1cccs1 ZINC000096097277 473294754 /nfs/dbraw/zinc/29/47/54/473294754.db2.gz KHTPDGGUSAXJSJ-GFCCVEGCSA-N 0 0 337.422 2.896 50 0 EFAARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000096097468 473294785 /nfs/dbraw/zinc/29/47/85/473294785.db2.gz DUWBRBXGJDJJCV-CYBMUJFWSA-N 0 0 338.816 2.844 50 0 EFAARN COC(=O)c1ccc(C(=O)N(Cc2cnc3ccccn23)C2CC2)cc1 ZINC000096097114 473295039 /nfs/dbraw/zinc/29/50/39/473295039.db2.gz XCIGKZJAKQOCAI-UHFFFAOYSA-N 0 0 349.390 2.926 50 0 EFAARN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](OC)c1ccsc1 ZINC000096097436 473295128 /nfs/dbraw/zinc/29/51/28/473295128.db2.gz YGQGFYVIPZPUSX-CQSZACIVSA-N 0 0 341.454 2.731 50 0 EFAARN COc1c(F)cc(CNC(=O)c2ccc3nc(C)cn3c2)cc1F ZINC000082146730 473295231 /nfs/dbraw/zinc/29/52/31/473295231.db2.gz JRLPANDSWNSZMP-UHFFFAOYSA-N 0 0 331.322 2.860 50 0 EFAARN CC(C)(C)c1ccc(NC(=O)Nc2cc(-n3cncn3)ncn2)cc1 ZINC000096098012 473295266 /nfs/dbraw/zinc/29/52/66/473295266.db2.gz ZFXSBSASKGLZER-UHFFFAOYSA-N 0 0 337.387 2.999 50 0 EFAARN CCn1nc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cc1C ZINC000082138899 473295335 /nfs/dbraw/zinc/29/53/35/473295335.db2.gz MTTDBEDSNOLLLD-INIZCTEOSA-N 0 0 341.459 2.838 50 0 EFAARN CCOc1ccccc1CN1CCN(c2cccc(OC)c2)C(=O)C1 ZINC000082156125 473295664 /nfs/dbraw/zinc/29/56/64/473295664.db2.gz WDIHIEALZDJWTD-UHFFFAOYSA-N 0 0 340.423 2.943 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000082155636 473295944 /nfs/dbraw/zinc/29/59/44/473295944.db2.gz FNNKMHIQSLYVHU-OAHLLOKOSA-N 0 0 345.447 2.840 50 0 EFAARN Cc1ccc([C@H](C)Cc2cn(Cc3cn4c(n3)SCC4)nn2)o1 ZINC000082145904 473296061 /nfs/dbraw/zinc/29/60/61/473296061.db2.gz BAEMSLMWOJRVRA-LLVKDONJSA-N 0 0 329.429 2.876 50 0 EFAARN CSc1cccc(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000082137710 473296225 /nfs/dbraw/zinc/29/62/25/473296225.db2.gz LOCKLCYTVGBRRY-UHFFFAOYSA-N 0 0 346.496 2.812 50 0 EFAARN CC(C)c1cc(C(=O)N2CCN(Cc3cccs3)CC2)n(C)n1 ZINC000082138358 473296267 /nfs/dbraw/zinc/29/62/67/473296267.db2.gz YVSDDWJWTGYDMW-UHFFFAOYSA-N 0 0 332.473 2.563 50 0 EFAARN CC(C)c1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)n(C)n1 ZINC000082137632 473296396 /nfs/dbraw/zinc/29/63/96/473296396.db2.gz TXMZMPWHPUZLSF-CYBMUJFWSA-N 0 0 326.322 2.972 50 0 EFAARN O=C(/C=C/c1ccco1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096103395 473297512 /nfs/dbraw/zinc/29/75/12/473297512.db2.gz KOPCNQPGEMMMBM-AUECHBEKSA-N 0 0 345.420 2.758 50 0 EFAARN CC(C)c1nc(CN(C)C(=O)COC[C@H]2CCCCO2)cs1 ZINC000082160872 473297594 /nfs/dbraw/zinc/29/75/94/473297594.db2.gz ZIYGHPNCPJMDLH-CQSZACIVSA-N 0 0 326.462 2.811 50 0 EFAARN CC(C)c1cc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)no1 ZINC000082171940 473297993 /nfs/dbraw/zinc/29/79/93/473297993.db2.gz KPKOGARHQDOARY-UHFFFAOYSA-N 0 0 327.344 2.515 50 0 EFAARN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1nccs1 ZINC000082162552 473298132 /nfs/dbraw/zinc/29/81/32/473298132.db2.gz VOFZDXGJLWXINF-UHFFFAOYSA-N 0 0 331.243 2.606 50 0 EFAARN Cc1cc(C(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)no1 ZINC000096121702 473306557 /nfs/dbraw/zinc/30/65/57/473306557.db2.gz MQLYBIRSCHCZEZ-UHFFFAOYSA-N 0 0 337.383 2.549 50 0 EFAARN CN(C)c1ccnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000096121017 473306935 /nfs/dbraw/zinc/30/69/35/473306935.db2.gz CPFIBHFJEMQJSF-UHFFFAOYSA-N 0 0 346.434 2.991 50 0 EFAARN O=C(Nc1cnn(C2CCOCC2)c1)c1ccc(C(F)(F)F)nc1 ZINC000096123374 473308699 /nfs/dbraw/zinc/30/86/99/473308699.db2.gz ZCRQAIYCRPXWAU-UHFFFAOYSA-N 0 0 340.305 2.901 50 0 EFAARN CCCc1ncncc1C(=O)NC[C@H]1CCOc2ccccc2C1 ZINC000096130833 473309396 /nfs/dbraw/zinc/30/93/96/473309396.db2.gz KXTAUYHIAWEAJW-AWEZNQCLSA-N 0 0 325.412 2.800 50 0 EFAARN O=C1C[C@H](CNc2nccc(-c3cccnc3)n2)CN1C1CCCC1 ZINC000096133339 473309423 /nfs/dbraw/zinc/30/94/23/473309423.db2.gz IALLYOUKOPLZCO-CQSZACIVSA-N 0 0 337.427 2.742 50 0 EFAARN COC[C@@H](NC(=O)Nc1ccnn1C1CCCCC1)c1ccnn1C ZINC000096133227 473309492 /nfs/dbraw/zinc/30/94/92/473309492.db2.gz LLKNDIAFZHVAQN-CQSZACIVSA-N 0 0 346.435 2.631 50 0 EFAARN Nc1nc(CCC(=O)N(Cc2ccco2)Cc2ccccn2)cs1 ZINC000096131984 473309502 /nfs/dbraw/zinc/30/95/02/473309502.db2.gz UCVFMVUUBNCOEY-UHFFFAOYSA-N 0 0 342.424 2.875 50 0 EFAARN Cc1cccc2[nH]c([C@@H]3CCCN(c4cc(C(N)=O)ccn4)C3)nc21 ZINC000096133678 473310010 /nfs/dbraw/zinc/31/00/10/473310010.db2.gz LYIDRCMUKKQKGU-CQSZACIVSA-N 0 0 335.411 2.749 50 0 EFAARN CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc2n[nH]nc2c1 ZINC000083012225 473310618 /nfs/dbraw/zinc/31/06/18/473310618.db2.gz MWIHUUMJTPMEOR-UHFFFAOYSA-N 0 0 327.413 2.565 50 0 EFAARN O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H]1COC2(CCCC2)C1 ZINC000096136950 473310987 /nfs/dbraw/zinc/31/09/87/473310987.db2.gz ZYMMWAFRHFYEBT-CQSZACIVSA-N 0 0 345.399 2.866 50 0 EFAARN O=C(NC[C@H](CO)Cc1ccco1)c1cc(-c2ccccc2)on1 ZINC000096137340 473311583 /nfs/dbraw/zinc/31/15/83/473311583.db2.gz CLQUXXPJKKIRLR-CYBMUJFWSA-N 0 0 326.352 2.516 50 0 EFAARN CCc1nc([C@H]2COCCO2)n(-c2ccc3nc(C)sc3c2)n1 ZINC000096137973 473311593 /nfs/dbraw/zinc/31/15/93/473311593.db2.gz VBBAVFHWYFTQPI-CYBMUJFWSA-N 0 0 330.413 2.836 50 0 EFAARN Cc1ccc(-c2nc([C@@H](c3cccc(F)c3)N(C)C)n(CCO)n2)o1 ZINC000096136234 473311918 /nfs/dbraw/zinc/31/19/18/473311918.db2.gz CDKCSCLOHGJGAY-MRXNPFEDSA-N 0 0 344.390 2.629 50 0 EFAARN CCS[C@@H](C)c1nc(CC(N)=O)nn1Cc1ccc(CC)cc1 ZINC000096140836 473312411 /nfs/dbraw/zinc/31/24/11/473312411.db2.gz RFMONINMYDUEGZ-LBPRGKRZSA-N 0 0 332.473 2.731 50 0 EFAARN c1ccc(-n2nc(C3CCCC3)nc2CCCN2CCOCC2)nc1 ZINC000096141124 473312424 /nfs/dbraw/zinc/31/24/24/473312424.db2.gz OBXSBVGGISGGTJ-UHFFFAOYSA-N 0 0 341.459 2.585 50 0 EFAARN CNC(=O)C1(NC(=O)c2c[nH]nc2C2CCCCC2)CCCCC1 ZINC000096150891 473314357 /nfs/dbraw/zinc/31/43/57/473314357.db2.gz BGATWHVHCKJAEN-UHFFFAOYSA-N 0 0 332.448 2.636 50 0 EFAARN Cc1nn(C)c2nc(NC3CCN(C(=O)C4CCCC4)CC3)sc12 ZINC000096148884 473314704 /nfs/dbraw/zinc/31/47/04/473314704.db2.gz NFFKTQJYLYMEKK-UHFFFAOYSA-N 0 0 347.488 2.931 50 0 EFAARN O=C(NC[C@@H]1CCCN(c2ccccn2)C1)Nc1ccc(F)nc1 ZINC000096132604 473309878 /nfs/dbraw/zinc/30/98/78/473309878.db2.gz ABBIWFNAESTPLQ-ZDUSSCGKSA-N 0 0 329.379 2.654 50 0 EFAARN COCC(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2COC)c1C ZINC000096160418 473319504 /nfs/dbraw/zinc/31/95/04/473319504.db2.gz WYVDWZBRDNVRJI-CQSZACIVSA-N 0 0 349.431 2.613 50 0 EFAARN COCC(=O)Nc1cccc(NC(=O)NCCC[C@@H]2CCOC2)c1C ZINC000096150680 473315099 /nfs/dbraw/zinc/31/50/99/473315099.db2.gz MJEZSRLZRRMZGM-CQSZACIVSA-N 0 0 349.431 2.518 50 0 EFAARN COCCOc1ccccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000096151037 473315283 /nfs/dbraw/zinc/31/52/83/473315283.db2.gz VWDKLKCEYDAVGE-UHFFFAOYSA-N 0 0 344.415 2.846 50 0 EFAARN CCSc1ccc(NC(=O)NCCn2c(C)cc(C)nc2=O)cc1 ZINC000096148397 473315286 /nfs/dbraw/zinc/31/52/86/473315286.db2.gz FXPBQIOLEFEZKD-UHFFFAOYSA-N 0 0 346.456 2.794 50 0 EFAARN CSCCc1nc(Cn2nccc2C)n(Cc2ccc(F)cc2)n1 ZINC000096149692 473315373 /nfs/dbraw/zinc/31/53/73/473315373.db2.gz YCFXPFXOPSOFMB-UHFFFAOYSA-N 0 0 345.447 2.924 50 0 EFAARN CCC(=O)Nc1cc(NC(=O)NCCCc2ncc[nH]2)ccc1OC ZINC000096153616 473315591 /nfs/dbraw/zinc/31/55/91/473315591.db2.gz BHLBTSOYGKWVDS-UHFFFAOYSA-N 0 0 345.403 2.521 50 0 EFAARN Cc1ccsc1CCNC(=O)CN1C[C@H](c2ccccc2)CC1=O ZINC000096152401 473315680 /nfs/dbraw/zinc/31/56/80/473315680.db2.gz XUCNEYBVASZCDQ-MRXNPFEDSA-N 0 0 342.464 2.731 50 0 EFAARN CCOc1ncccc1CNC(=O)[C@H]1CCOc2ccccc2C1 ZINC000096151161 473315827 /nfs/dbraw/zinc/31/58/27/473315827.db2.gz LPWDMWYTQRDFHB-HNNXBMFYSA-N 0 0 326.396 2.738 50 0 EFAARN CCN(Cc1noc(C)n1)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000096154004 473316028 /nfs/dbraw/zinc/31/60/28/473316028.db2.gz PYWPQEWMHCSJEL-UHFFFAOYSA-N 0 0 332.360 2.527 50 0 EFAARN CCOc1ccc(OCc2nc(-c3cnn(C)c3)n(CC)n2)cc1 ZINC000096153543 473316385 /nfs/dbraw/zinc/31/63/85/473316385.db2.gz XEJPSUAIEATDKB-UHFFFAOYSA-N 0 0 327.388 2.676 50 0 EFAARN O=c1[nH]cccc1-c1nc(C2CCOCC2)nn1Cc1ccccc1 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CN(C[C@@H]1COc2ccccc2O1)C(=S)NCc1ccccc1 ZINC000000177867 471331110 /nfs/dbraw/zinc/33/11/10/471331110.db2.gz RFJCCPXRHIONTJ-OAHLLOKOSA-N 0 0 328.437 2.833 50 0 EFAARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(OC)cc1 ZINC000000182469 471331520 /nfs/dbraw/zinc/33/15/20/471331520.db2.gz AXUGLKBNJFHZDR-UHFFFAOYSA-N 0 0 345.395 2.618 50 0 EFAARN COC(=O)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000000176830 471331882 /nfs/dbraw/zinc/33/18/82/471331882.db2.gz KMEXXWVRSLUKCO-GDNBJRDFSA-N 0 0 325.295 2.957 50 0 EFAARN COC(=O)c1c(O)ccc(-c2ccc(NC(C)=O)cc2)c1C(=O)OC ZINC000000188720 471332113 /nfs/dbraw/zinc/33/21/13/471332113.db2.gz CWKFHYNLQGTKJG-UHFFFAOYSA-N 0 0 343.335 2.591 50 0 biogenic EFAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc2ncccc2c1 ZINC000000190256 471332251 /nfs/dbraw/zinc/33/22/51/471332251.db2.gz KYEJLMDSTYXOGU-MRXNPFEDSA-N 0 0 335.367 2.678 50 0 EFAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000189846 471332935 /nfs/dbraw/zinc/33/29/35/471332935.db2.gz 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O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1 ZINC000000282659 471343944 /nfs/dbraw/zinc/34/39/44/471343944.db2.gz HDJIGQVKYKULKF-INIZCTEOSA-N 0 0 346.180 2.862 50 0 EFAARN O=C(c1ccc(I)cc1)n1nnc2ccccc21 ZINC000000283089 471344006 /nfs/dbraw/zinc/34/40/06/471344006.db2.gz RHHGQRZMHFMGLG-UHFFFAOYSA-N 0 0 349.131 2.724 50 0 EFAARN COc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000302959 471344641 /nfs/dbraw/zinc/34/46/41/471344641.db2.gz SZWYYTQJBAYCOL-UHFFFAOYSA-N 0 0 344.386 2.562 50 0 EFAARN Cc1ccc(C2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000000304887 471344669 /nfs/dbraw/zinc/34/46/69/471344669.db2.gz QKVIHQDACBEQQU-INIZCTEOSA-N 0 0 349.312 2.891 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OC ZINC000000309498 471345654 /nfs/dbraw/zinc/34/56/54/471345654.db2.gz DXJFIEHQEMWKSX-UHFFFAOYSA-N 0 0 344.392 2.609 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(Nc2ccccc2)C1 ZINC000000309514 471345728 /nfs/dbraw/zinc/34/57/28/471345728.db2.gz KGHGIYCMPZXSMP-AWEZNQCLSA-N 0 0 343.814 2.832 50 0 EFAARN O=C1Nc2ccccc2[C@]12OC[C@H](COc1ccc(Cl)cc1)O2 ZINC000000307365 471345926 /nfs/dbraw/zinc/34/59/26/471345926.db2.gz ZNRLOLUWIKRVBI-SUMWQHHRSA-N 0 0 331.755 2.939 50 0 EFAARN CC(C)CC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2ccccc2)N1 ZINC000000305766 471345959 /nfs/dbraw/zinc/34/59/59/471345959.db2.gz VHTISJNQXFZBLM-OAHLLOKOSA-N 0 0 344.333 2.951 50 0 EFAARN O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC000000309846 471346064 /nfs/dbraw/zinc/34/60/64/471346064.db2.gz DTYVLRZWGHGRPI-SFHVURJKSA-N 0 0 348.402 2.516 50 0 EFAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000000314571 471347495 /nfs/dbraw/zinc/34/74/95/471347495.db2.gz HLDXPARAWUZDKC-UHFFFAOYSA-N 0 0 328.755 2.883 50 0 EFAARN O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000000324703 471348334 /nfs/dbraw/zinc/34/83/34/471348334.db2.gz YMFOKEHORIJDBR-UHFFFAOYSA-N 0 0 345.424 2.509 50 0 EFAARN COc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1OC ZINC000000328776 471348571 /nfs/dbraw/zinc/34/85/71/471348571.db2.gz IOYGBOGEDFHDJC-UHFFFAOYSA-N 0 0 334.372 2.970 50 0 EFAARN CCc1c([O-])n2nc(-c3ccccc3)ccc2[n+](-c2ccccc2)c1=O ZINC000000344271 471349438 /nfs/dbraw/zinc/34/94/38/471349438.db2.gz KQEVNCPCXSGNEE-UHFFFAOYSA-O 0 0 344.394 2.906 50 0 EFAARN Cc1cc(=O)n([C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cn1 ZINC000000351313 471349593 /nfs/dbraw/zinc/34/95/93/471349593.db2.gz QNKLPUKREIPBKU-VIFPVBQESA-N 0 0 340.638 2.583 50 0 EFAARN Cc1nccn1S(=O)(=O)c1cc(Cl)ccc1Br ZINC000000339981 471349607 /nfs/dbraw/zinc/34/96/07/471349607.db2.gz IYFRVPQWXZCWJJ-UHFFFAOYSA-N 0 0 335.610 2.844 50 0 EFAARN COC(=O)c1ccc(C)c(NC(=O)[C@H]2COc3ccccc3O2)c1 ZINC000000339626 471349823 /nfs/dbraw/zinc/34/98/23/471349823.db2.gz YDAFQQABNUKMCN-MRXNPFEDSA-N 0 0 327.336 2.560 50 0 EFAARN O=C(N[C@H]1CSC[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000000342969 471350037 /nfs/dbraw/zinc/35/00/37/471350037.db2.gz PGAMNPSQOQDEBO-HOTGVXAUSA-N 0 0 327.405 2.757 50 0 EFAARN O=C(N[C@H]1CSC[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000000356620 471350586 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332.322 2.755 50 0 EFAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCOCC1 ZINC000002423168 471406576 /nfs/dbraw/zinc/40/65/76/471406576.db2.gz QIUPMRNIFGBCHD-UHFFFAOYSA-N 0 0 335.363 2.876 50 0 EFAARN COc1ccc(CCn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 ZINC000002364239 471406729 /nfs/dbraw/zinc/40/67/29/471406729.db2.gz SMQYPHHUCOVURB-UHFFFAOYSA-N 0 0 346.390 2.834 50 0 EFAARN CCOc1ccc2nc(COC(=O)C(C)(C)C)c(C(C)=O)[n+]([O-])c2c1 ZINC000002453646 471408099 /nfs/dbraw/zinc/40/80/99/471408099.db2.gz UUPYBZNGENOHNQ-UHFFFAOYSA-N 0 0 346.383 2.559 50 0 EFAARN CCCCOc1ccc(N2C[C@@H](C(=O)NCC(C)C)CC2=O)cc1 ZINC000002459151 471408362 /nfs/dbraw/zinc/40/83/62/471408362.db2.gz WEMYDYKHKPTLOV-HNNXBMFYSA-N 0 0 332.444 2.991 50 0 EFAARN CCCOC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1 ZINC000002436643 471408581 /nfs/dbraw/zinc/40/85/81/471408581.db2.gz NOANCYUHSWFKBU-UHFFFAOYSA-N 0 0 330.336 2.926 50 0 EFAARN c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 ZINC000002432577 471408620 /nfs/dbraw/zinc/40/86/20/471408620.db2.gz 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/nfs/dbraw/zinc/41/10/68/471411068.db2.gz JAGHYGKUKUCLLO-ZETCQYMHSA-N 0 0 330.207 2.768 50 0 EFAARN CC(=O)c1cccc2oc(=O)c(S(=O)(=O)c3ccccc3)cc21 ZINC000002529953 471411356 /nfs/dbraw/zinc/41/13/56/471411356.db2.gz ATKAQCPMCKHPFW-UHFFFAOYSA-N 0 0 328.345 2.828 50 0 EFAARN CCOC(=O)CCC(=O)c1ccccc1I ZINC000002580289 471411750 /nfs/dbraw/zinc/41/17/50/471411750.db2.gz SQRWBNWBGWGXJN-UHFFFAOYSA-N 0 0 332.137 2.817 50 0 EFAARN CN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 ZINC000002649231 471415146 /nfs/dbraw/zinc/41/51/46/471415146.db2.gz PPTXHJHOWCEROL-UHFFFAOYSA-N 0 0 345.877 2.603 50 0 EFAARN NC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000002655244 471415074 /nfs/dbraw/zinc/41/50/74/471415074.db2.gz BYSDQCNRWOPELZ-UHFFFAOYSA-N 0 0 326.377 2.740 50 0 EFAARN O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000002674943 471416014 /nfs/dbraw/zinc/41/60/14/471416014.db2.gz CYLWWMYXPYMYDC-MRVPVSSYSA-N 0 0 347.423 2.868 50 0 EFAARN O=S(=O)(c1ccccc1)N1CCN=C1SCc1ccccc1 ZINC000002711396 471417211 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Cc1nn(C)c(C)c1/C=C1\NC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000002782354 471421191 /nfs/dbraw/zinc/42/11/91/471421191.db2.gz IJVYELBVXPFQNJ-KPENOIPVSA-N 0 0 340.452 2.856 50 0 EFAARN CCOC(=O)c1sc2ncn3nc(-c4ccncc4)nc3c2c1C ZINC000002790334 471421428 /nfs/dbraw/zinc/42/14/28/471421428.db2.gz YIGOKGPWBWLZLM-UHFFFAOYSA-N 0 0 339.380 2.886 50 0 EFAARN Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000002780698 471421800 /nfs/dbraw/zinc/42/18/00/471421800.db2.gz USCOIPGRIQJAHU-RKDXNWHRSA-N 0 0 339.745 2.720 50 0 EFAARN CCn1nccc1CNC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000002803183 471422849 /nfs/dbraw/zinc/42/28/49/471422849.db2.gz OTZAAJWIUGEDNZ-GFCCVEGCSA-N 0 0 330.432 2.972 50 0 EFAARN O=C(/C=C/c1cccs1)NCCNC(=O)/C=C/c1cccs1 ZINC000002820843 471423294 /nfs/dbraw/zinc/42/32/94/471423294.db2.gz RPYGNLHSZCUNLS-KQQUZDAGSA-N 0 0 332.450 2.769 50 0 EFAARN CCOP(=O)(OCC)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000002811342 471423402 /nfs/dbraw/zinc/42/34/02/471423402.db2.gz DNXDNNMQTPJSTA-CYBMUJFWSA-N 0 0 335.362 2.843 50 0 EFAARN CCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000002837183 471423516 /nfs/dbraw/zinc/42/35/16/471423516.db2.gz OPUOBWKHAVEGMJ-UHFFFAOYSA-N 0 0 346.452 2.793 50 0 EFAARN CC1(C)NC(=O)N(CCCOc2cccc(C(F)(F)F)c2)C1=O ZINC000002863274 471424776 /nfs/dbraw/zinc/42/47/76/471424776.db2.gz PVNQJAVFZBCMMN-UHFFFAOYSA-N 0 0 330.306 2.805 50 0 EFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000002868683 471424969 /nfs/dbraw/zinc/42/49/69/471424969.db2.gz NXYHTDCESYRJDK-UHFFFAOYSA-N 0 0 338.816 2.843 50 0 EFAARN C[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000002856878 471425130 /nfs/dbraw/zinc/42/51/30/471425130.db2.gz ZJWXEKOJVMSMBF-CYBMUJFWSA-N 0 0 330.815 2.876 50 0 EFAARN COc1ccc(CCNC(=O)CCc2ccccc2O)cc1OC ZINC000002843338 471425223 /nfs/dbraw/zinc/42/52/23/471425223.db2.gz KUTONBDGRNESMU-UHFFFAOYSA-N 0 0 329.396 2.701 50 0 biogenic,in-vitro EFAARN COc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000002860271 471425271 /nfs/dbraw/zinc/42/52/71/471425271.db2.gz 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/nfs/dbraw/zinc/42/63/57/471426357.db2.gz VJQFYDARFYBWBA-UHFFFAOYSA-N 0 0 341.194 2.602 50 0 EFAARN COC(=O)c1ccccc1N(C)C(=O)c1cc2ccccc2oc1=O ZINC000002883324 471426441 /nfs/dbraw/zinc/42/64/41/471426441.db2.gz ZJMBNVMHGILEPY-UHFFFAOYSA-N 0 0 337.331 2.856 50 0 EFAARN O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000002874539 471426820 /nfs/dbraw/zinc/42/68/20/471426820.db2.gz OGQKFBLMVPJJHT-HNNXBMFYSA-N 0 0 344.436 2.726 50 0 EFAARN O=C(Nc1ccc(Br)cc1)C(=O)NC1CCCCC1 ZINC000002892264 471427151 /nfs/dbraw/zinc/42/71/51/471427151.db2.gz CBJBOJDSUBCMSS-UHFFFAOYSA-N 0 0 325.206 2.837 50 0 EFAARN COc1ccc(OC)c([C@H]2C[C@H](c3cccnc3)Nc3ncnn32)c1 ZINC000002913963 471427465 /nfs/dbraw/zinc/42/74/65/471427465.db2.gz XZPJZPAEGMDQDH-HZPDHXFCSA-N 0 0 337.383 2.837 50 0 EFAARN CCOc1cc(S(=O)(=O)n2ccc(C)n2)ccc1Br ZINC000002885373 471427496 /nfs/dbraw/zinc/42/74/96/471427496.db2.gz PDSJLIUEFYHEJX-UHFFFAOYSA-N 0 0 345.218 2.590 50 0 EFAARN CCOC(=O)N(C)c1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1 ZINC000002900756 471427627 /nfs/dbraw/zinc/42/76/27/471427627.db2.gz ZGRXGRBZRPCWTD-AWEZNQCLSA-N 0 0 349.305 2.592 50 0 EFAARN CCOC(=O)N(C)c1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1 ZINC000002900757 471427774 /nfs/dbraw/zinc/42/77/74/471427774.db2.gz ZGRXGRBZRPCWTD-CQSZACIVSA-N 0 0 349.305 2.592 50 0 EFAARN Cc1cccc(-c2nsc(SCC(=O)NC[C@H]3CCCO3)n2)c1 ZINC000002917569 471427837 /nfs/dbraw/zinc/42/78/37/471427837.db2.gz PUJUWMUTEIBLSO-CYBMUJFWSA-N 0 0 349.481 2.901 50 0 EFAARN CC(C)OCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000002959178 471428487 /nfs/dbraw/zinc/42/84/87/471428487.db2.gz GJQRVJCQPDVLAG-UHFFFAOYSA-N 0 0 333.215 2.863 50 0 EFAARN CSc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1 ZINC000002948403 471428679 /nfs/dbraw/zinc/42/86/79/471428679.db2.gz GSWIGRKXCOKTDG-UHFFFAOYSA-N 0 0 340.495 2.874 50 0 aggregator EFAARN CCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000002959016 471428686 /nfs/dbraw/zinc/42/86/86/471428686.db2.gz ZAAUPHOCRMQYTP-UHFFFAOYSA-N 0 0 328.368 2.980 50 0 EFAARN COc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000003004811 471429817 /nfs/dbraw/zinc/42/98/17/471429817.db2.gz NQXQIDUDCRWCIB-UHFFFAOYSA-N 0 0 332.787 2.912 50 0 EFAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003005315 471430794 /nfs/dbraw/zinc/43/07/94/471430794.db2.gz ASRPVQDSLZVNDO-UHFFFAOYSA-N 0 0 346.452 2.817 50 0 EFAARN CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000003096082 471431516 /nfs/dbraw/zinc/43/15/16/471431516.db2.gz UTIDFKGSMPJPOW-LLVKDONJSA-N 0 0 339.233 2.718 50 0 EFAARN CCCCN(C(C)=O)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000003100044 471431867 /nfs/dbraw/zinc/43/18/67/471431867.db2.gz MLXRCUATNFUBRA-HNNXBMFYSA-N 0 0 347.333 2.763 50 0 EFAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1 ZINC000003080043 471432358 /nfs/dbraw/zinc/43/23/58/471432358.db2.gz MUNLGCDPQMBTPW-AWEZNQCLSA-N 0 0 341.363 2.727 50 0 EFAARN COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)CC2=O)cc1 ZINC000003136195 471433121 /nfs/dbraw/zinc/43/31/21/471433121.db2.gz GKHWIBWAUVEMJV-HNNXBMFYSA-N 0 0 325.364 2.860 50 0 EFAARN Cc1cccc(NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl)c1 ZINC000003137407 471433388 /nfs/dbraw/zinc/43/33/88/471433388.db2.gz SGEVCQAFLBYCBG-VIFPVBQESA-N 0 0 340.663 2.724 50 0 EFAARN COc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)CC2=O)cc1 ZINC000003136196 471433461 /nfs/dbraw/zinc/43/34/61/471433461.db2.gz GKHWIBWAUVEMJV-OAHLLOKOSA-N 0 0 325.364 2.860 50 0 EFAARN CCOC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 ZINC000003205566 471435980 /nfs/dbraw/zinc/43/59/80/471435980.db2.gz WLQDTBDHAVNKQJ-UHFFFAOYSA-N 0 0 336.369 2.589 50 0 EFAARN CCN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000003224807 471436480 /nfs/dbraw/zinc/43/64/80/471436480.db2.gz DTVUFNYHPSHDIT-UHFFFAOYSA-N 0 0 327.336 2.625 50 0 EFAARN O=C(CSc1ccc(Br)cc1)NC[C@@H]1CCCO1 ZINC000003237294 471437457 /nfs/dbraw/zinc/43/74/57/471437457.db2.gz KOVQZWBAIRLDGQ-NSHDSACASA-N 0 0 330.247 2.836 50 0 EFAARN CN(C(=O)COC(=O)c1cncc(Br)c1)c1ccccc1 ZINC000003253910 471438408 /nfs/dbraw/zinc/43/84/08/471438408.db2.gz DESHTHYRFHKKGN-UHFFFAOYSA-N 0 0 349.184 2.664 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1 ZINC000003262194 471439599 /nfs/dbraw/zinc/43/95/99/471439599.db2.gz OCCCACIDEISBJU-UHFFFAOYSA-N 0 0 326.352 2.749 50 0 EFAARN O=C(Nc1ccc(F)cc1F)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000003264643 471439978 /nfs/dbraw/zinc/43/99/78/471439978.db2.gz JRNNQDJAYDHZCM-UHFFFAOYSA-N 0 0 330.290 2.871 50 0 EFAARN COc1ccc(CNC(=O)COC(=O)c2ccccc2Cl)cc1 ZINC000003507442 471448904 /nfs/dbraw/zinc/44/89/04/471448904.db2.gz DERUJMWOAHOPNU-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN O=C(COC(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1 ZINC000003510092 471450065 /nfs/dbraw/zinc/45/00/65/471450065.db2.gz ZSFWGSWNZMIFFD-UHFFFAOYSA-N 0 0 335.762 2.995 50 0 EFAARN CC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1 ZINC000003909048 471456789 /nfs/dbraw/zinc/45/67/89/471456789.db2.gz HRRDYLFFGXEPIH-UHFFFAOYSA-N 0 0 331.391 2.975 50 0 EFAARN O[C@@H](COc1ccc(Br)cc1)Cn1nnc2ccccc21 ZINC000003893717 471457562 /nfs/dbraw/zinc/45/75/62/471457562.db2.gz QULOBNFAVQKCQU-GFCCVEGCSA-N 0 0 348.200 2.634 50 0 EFAARN CC[C@H](C)N1CC(=O)N2[C@@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004061338 471458475 /nfs/dbraw/zinc/45/84/75/471458475.db2.gz FRWKGDXMHKAFBM-MKBNYLNASA-N 0 0 325.412 2.623 50 0 biogenic EFAARN Cc1cc2nccc(-c3cnc4sc5ccccc5n4c3=O)n2n1 ZINC000004050640 471458810 /nfs/dbraw/zinc/45/88/10/471458810.db2.gz JXFVQLLZNSDFNJ-UHFFFAOYSA-N 0 0 333.376 2.927 50 0 EFAARN Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C(=O)C[C@H]2c2ccccc21 ZINC000004199697 471460799 /nfs/dbraw/zinc/46/07/99/471460799.db2.gz MJNGQQGXBHYKAI-QZHFEQFPSA-N 0 0 331.371 2.954 50 0 EFAARN CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccc2c(c1)OCO2 ZINC000004185053 471460879 /nfs/dbraw/zinc/46/08/79/471460879.db2.gz OUBFHKOXGJZUIT-UHFFFAOYSA-N 0 0 334.416 2.739 50 0 EFAARN CC(C)(C)C(=O)NC(NC(=O)C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000004185054 471460973 /nfs/dbraw/zinc/46/09/73/471460973.db2.gz UVXMFARCUDXDBW-UHFFFAOYSA-N 0 0 334.416 2.739 50 0 EFAARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCc1ccco1 ZINC000004295733 471462211 /nfs/dbraw/zinc/46/22/11/471462211.db2.gz ZOHRCALOGFNDEZ-PBHICJAKSA-N 0 0 342.420 2.944 50 0 EFAARN Cc1nc2c3ccccc3oc2c(N2CCN(c3ncccn3)CC2)n1 ZINC000004295929 471463024 /nfs/dbraw/zinc/46/30/24/471463024.db2.gz LDKQBAHOVUEENH-UHFFFAOYSA-N 0 0 346.394 2.801 50 0 EFAARN Cn1cc(Br)c(-c2cccc(N3C(=O)CCCC3=O)c2)n1 ZINC000004324789 471463898 /nfs/dbraw/zinc/46/38/98/471463898.db2.gz CCJPBTDSOSCAKM-UHFFFAOYSA-N 0 0 348.200 2.893 50 0 EFAARN c1ccc(Cn2nnc3c2ncnc3N2CCc3ccccc3C2)cc1 ZINC000004354716 471464338 /nfs/dbraw/zinc/46/43/38/471464338.db2.gz PVNRGJFVXNPSCS-UHFFFAOYSA-N 0 0 342.406 2.832 50 0 EFAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2N)c(C)c1 ZINC000004585973 471469679 /nfs/dbraw/zinc/46/96/79/471469679.db2.gz ZOLVEXLNMAOUBN-UHFFFAOYSA-N 0 0 343.412 2.600 50 0 EFAARN S=C(NC[C@@H]1CCCO1)N1CCN(c2ccccc2Cl)CC1 ZINC000004750336 471473351 /nfs/dbraw/zinc/47/33/51/471473351.db2.gz XJHDIJUSOVMJMA-ZDUSSCGKSA-N 0 0 339.892 2.516 50 0 EFAARN O=C(Nc1cccc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000004810682 471475268 /nfs/dbraw/zinc/47/52/68/471475268.db2.gz REZLJLLUNLJTNE-UHFFFAOYSA-N 0 0 333.395 2.984 50 0 EFAARN CCCCc1nc2sc3c(ncn(N)c3=O)c2c2c1CCCC2 ZINC000004785869 471475457 /nfs/dbraw/zinc/47/54/57/471475457.db2.gz WHQYJNKYMLPPKN-UHFFFAOYSA-N 0 0 328.441 2.941 50 0 aggregator EFAARN Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccccc1 ZINC000004841689 471476569 /nfs/dbraw/zinc/47/65/69/471476569.db2.gz PXHOFBKHNSMPQM-UHFFFAOYSA-N 0 0 340.408 2.919 50 0 EFAARN CCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000004842433 471476643 /nfs/dbraw/zinc/47/66/43/471476643.db2.gz DVENTXCPNSQRSP-UHFFFAOYSA-N 0 0 341.411 2.981 50 0 EFAARN COc1ccc(CCNC(=O)c2cccc(OC(C)=O)c2)cc1OC ZINC000004842005 471477013 /nfs/dbraw/zinc/47/70/13/471477013.db2.gz SEYXUPKTOXNRSC-UHFFFAOYSA-N 0 0 343.379 2.602 50 0 EFAARN Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000005002354 471483211 /nfs/dbraw/zinc/48/32/11/471483211.db2.gz YBYFJKJNROHJKQ-MRXNPFEDSA-N 0 0 325.412 2.506 50 0 EFAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccs3)cc21 ZINC000005136743 471487797 /nfs/dbraw/zinc/48/77/97/471487797.db2.gz ZTYGSWNXVFLEMB-UHFFFAOYSA-N 0 0 336.438 2.713 50 0 EFAARN Cc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CC3)cc1 ZINC000005153424 471488051 /nfs/dbraw/zinc/48/80/51/471488051.db2.gz SNILKZLRJDTYOP-UHFFFAOYSA-N 0 0 342.420 2.631 50 0 EFAARN COc1ccc(N2C[C@H](NC(=O)N(C)C3CCCCC3)CC2=O)cc1 ZINC000005190367 471490203 /nfs/dbraw/zinc/49/02/03/471490203.db2.gz YNGJVPKXGWQSRW-CQSZACIVSA-N 0 0 345.443 2.775 50 0 EFAARN O=C1C(=CNc2ccc(F)cc2)[S@](=O)CN1c1ccc(F)cc1 ZINC000005204051 471491882 /nfs/dbraw/zinc/49/18/82/471491882.db2.gz JCBKPAVHQFMAHY-ARKLPKAPSA-N 0 0 334.347 2.971 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000005199689 471492038 /nfs/dbraw/zinc/49/20/38/471492038.db2.gz SXPDMGWBYHLFBK-UHFFFAOYSA-N 0 0 326.396 2.666 50 0 EFAARN COc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000005221045 471492610 /nfs/dbraw/zinc/49/26/10/471492610.db2.gz XCKWOSQEAABSGV-CQSZACIVSA-N 0 0 344.798 2.884 50 0 EFAARN CC(C)[C@@H](C(=O)Nc1cccc(F)c1)n1nnc2ccccc2c1=O ZINC000005244779 471493765 /nfs/dbraw/zinc/49/37/65/471493765.db2.gz VZZKGXTXSKQXGA-INIZCTEOSA-N 0 0 340.358 2.766 50 0 EFAARN O=Cc1cc(Cl)ccc1OC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000005235395 471494295 /nfs/dbraw/zinc/49/42/95/471494295.db2.gz SWWCFSCWIHBYEF-OAHLLOKOSA-N 0 0 330.723 2.840 50 0 EFAARN CCOC(=O)CSc1nnc(NC(=O)Nc2cccs2)s1 ZINC000005253671 471494913 /nfs/dbraw/zinc/49/49/13/471494913.db2.gz LSCGCSFPRUYOAD-UHFFFAOYSA-N 0 0 344.443 2.899 50 0 EFAARN CC(=O)N1CCCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000005252244 471495392 /nfs/dbraw/zinc/49/53/92/471495392.db2.gz XNRPAIXRIFWXCZ-UHFFFAOYSA-N 0 0 338.363 2.967 50 0 EFAARN CCN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000005247209 471495696 /nfs/dbraw/zinc/49/56/96/471495696.db2.gz AMPYTXNFJQTCHU-JTQLQIEISA-N 0 0 337.272 2.756 50 0 EFAARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(F)cc1 ZINC000005269068 471495788 /nfs/dbraw/zinc/49/57/88/471495788.db2.gz OTDAKROBVJOQFX-UHFFFAOYSA-N 0 0 325.343 2.955 50 0 EFAARN CC1(C)Cc2nc(-c3ccccc3)nc(SCC(N)=O)c2CO1 ZINC000005267266 471496815 /nfs/dbraw/zinc/49/68/15/471496815.db2.gz UVULKZSUHXIAHR-UHFFFAOYSA-N 0 0 329.425 2.572 50 0 EFAARN CC[C@H](C(=O)Nc1ccc(F)cc1F)n1nnc2ccccc2c1=O ZINC000005302909 471498292 /nfs/dbraw/zinc/49/82/92/471498292.db2.gz OOGAHKIGRCCGQK-OAHLLOKOSA-N 0 0 344.321 2.660 50 0 EFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)cc1 ZINC000005314749 471498311 /nfs/dbraw/zinc/49/83/11/471498311.db2.gz VJQDKYWPJPKKHK-UHFFFAOYSA-N 0 0 334.372 2.618 50 0 EFAARN CCCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccccn2)C1=O ZINC000005321564 471500311 /nfs/dbraw/zinc/50/03/11/471500311.db2.gz SPEPCBRNELPTEO-SFHVURJKSA-N 0 0 344.798 2.952 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000005350527 471500978 /nfs/dbraw/zinc/50/09/78/471500978.db2.gz MKYUKZDJTJSXSB-KRWDZBQOSA-N 0 0 342.326 2.729 50 0 EFAARN Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC1CCCC1 ZINC000005352846 471501099 /nfs/dbraw/zinc/50/10/99/471501099.db2.gz ZXQGGGKHGACVKN-LBPRGKRZSA-N 0 0 331.445 2.510 50 0 EFAARN COc1ccc(C2=NO[C@H](C(=O)NC3CCCCC3)C2)c(OC)c1 ZINC000005347024 471501579 /nfs/dbraw/zinc/50/15/79/471501579.db2.gz VOCWXCRWCUGHFB-KRWDZBQOSA-N 0 0 332.400 2.646 50 0 EFAARN COc1ccc2c(C)c(CC(=O)NC3CCCC3)c(=O)oc2c1OC ZINC000005352382 471501599 /nfs/dbraw/zinc/50/15/99/471501599.db2.gz HDOQZNJTGMCQLN-UHFFFAOYSA-N 0 0 345.395 2.720 50 0 EFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 ZINC000005375520 471502410 /nfs/dbraw/zinc/50/24/10/471502410.db2.gz YWVKHNDHOYWNFU-UHFFFAOYSA-N 0 0 344.436 2.960 50 0 EFAARN CC(C)[C@@H]1NC(=O)N(c2ccc3nc(-c4ccncc4)oc3c2)C1=O ZINC000005389071 471503110 /nfs/dbraw/zinc/50/31/10/471503110.db2.gz NAGQMFBLZFGAAP-HNNXBMFYSA-N 0 0 336.351 2.971 50 0 EFAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCOCC3)n2)n1 ZINC000005425647 471504869 /nfs/dbraw/zinc/50/48/69/471504869.db2.gz IKHXIEZYNRKZEG-UHFFFAOYSA-N 0 0 335.411 2.783 50 0 EFAARN CC(=O)Nc1ccc(C(=O)[C@@H](O)c2ccc(NC(C)=O)cc2)cc1 ZINC000005431717 471505355 /nfs/dbraw/zinc/50/53/55/471505355.db2.gz CJOZJOYUNVCREY-KRWDZBQOSA-N 0 0 326.352 2.520 50 0 EFAARN O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCCC1 ZINC000005438698 471505902 /nfs/dbraw/zinc/50/59/02/471505902.db2.gz OCGPPGVYHYEHNW-UHFFFAOYSA-N 0 0 342.848 2.506 50 0 EFAARN O=C(NC1CCCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438402 471506024 /nfs/dbraw/zinc/50/60/24/471506024.db2.gz HFMGPEJGTNPIEX-UHFFFAOYSA-N 0 0 336.457 2.679 50 0 EFAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1Br ZINC000005457080 471507060 /nfs/dbraw/zinc/50/70/60/471507060.db2.gz SENXIPZMZUKLDF-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN COc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(C)c3)n2)cc1 ZINC000005484628 471508492 /nfs/dbraw/zinc/50/84/92/471508492.db2.gz CLOITCPRVPWSCL-UHFFFAOYSA-N 0 0 335.363 2.802 50 0 EFAARN C[C@@H](CC(=O)n1c2ccccc2oc1=O)n1c2ccccc2oc1=O ZINC000005527827 471510336 /nfs/dbraw/zinc/51/03/36/471510336.db2.gz FOGMAEVNUAGHMC-NSHDSACASA-N 0 0 338.319 2.794 50 0 EFAARN COC(=O)[C@H](O)[C@H](Sc1ccccc1N)c1ccc(OC)cc1 ZINC000005570188 471511261 /nfs/dbraw/zinc/51/12/61/471511261.db2.gz MPWGGMIUPWSNEV-HZPDHXFCSA-N 0 0 333.409 2.645 50 0 EFAARN CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc21 ZINC000005574045 471511732 /nfs/dbraw/zinc/51/17/32/471511732.db2.gz CCMZKNNGOOZGNA-UHFFFAOYSA-N 0 0 342.399 2.978 50 0 EFAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000005578467 471511974 /nfs/dbraw/zinc/51/19/74/471511974.db2.gz GHXGQHXEJAFZKX-IBGZPJMESA-N 0 0 336.435 2.968 50 0 EFAARN O=c1c(Cc2ccc(F)cc2)c(O)ccn1CCCn1ccnc1 ZINC000005626257 471513545 /nfs/dbraw/zinc/51/35/45/471513545.db2.gz BVBVYIJKWRZTSE-UHFFFAOYSA-N 0 0 327.359 2.571 50 0 EFAARN Cc1ccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)cc1 ZINC000005617965 471513775 /nfs/dbraw/zinc/51/37/75/471513775.db2.gz MNMSXNHYKUJXQL-XNTDXEJSSA-N 0 0 337.379 2.813 50 0 EFAARN Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2cccc(F)c2)cc1 ZINC000005617981 471513992 /nfs/dbraw/zinc/51/39/92/471513992.db2.gz IFNVPKKBKZREFR-UHFFFAOYSA-N 0 0 347.357 2.816 50 0 EFAARN COc1ccc(CNC(=O)CCCC(=O)OCC(F)(F)F)cc1 ZINC000005661517 471514941 /nfs/dbraw/zinc/51/49/41/471514941.db2.gz YZPCHVPTWOEUFT-UHFFFAOYSA-N 0 0 333.306 2.587 50 0 EFAARN CCCCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 ZINC000005868459 471524629 /nfs/dbraw/zinc/52/46/29/471524629.db2.gz YHZDXVYGJNMJIC-OAHLLOKOSA-N 0 0 334.441 2.831 50 0 EFAARN CCOC(=O)/C=C/COc1c(C=O)cc(Br)cc1OC ZINC000005952691 471526837 /nfs/dbraw/zinc/52/68/37/471526837.db2.gz CFIWUPFXVIADNZ-SNAWJCMRSA-N 0 0 343.173 2.768 50 0 EFAARN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1 ZINC000005975410 471528319 /nfs/dbraw/zinc/52/83/19/471528319.db2.gz OUNRZADOOIUBEC-UHFFFAOYSA-N 0 0 333.365 2.639 50 0 EFAARN COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1 ZINC000006121822 471532926 /nfs/dbraw/zinc/53/29/26/471532926.db2.gz XXSQRDQEUWYIBJ-UHFFFAOYSA-N 0 0 326.805 2.531 50 0 EFAARN CN[C@H](c1nnnn1-c1ccc(Br)cc1)c1ccccc1 ZINC000006169496 471534368 /nfs/dbraw/zinc/53/43/68/471534368.db2.gz VJFPNLCBWDPCAJ-AWEZNQCLSA-N 0 0 344.216 2.734 50 0 EFAARN O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Cl)cc1 ZINC000006199320 471535877 /nfs/dbraw/zinc/53/58/77/471535877.db2.gz MYISWNSUIRBMJU-UHFFFAOYSA-N 0 0 327.818 2.528 50 0 EFAARN CC(C)(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000006231442 471537234 /nfs/dbraw/zinc/53/72/34/471537234.db2.gz YVRHQIGHAJUMSC-UHFFFAOYSA-N 0 0 336.395 2.728 50 0 EFAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(C)=O)c1 ZINC000006262325 471538269 /nfs/dbraw/zinc/53/82/69/471538269.db2.gz VCBOLOIVNQPCAM-YTQUADARSA-N 0 0 333.428 2.918 50 0 biogenic EFAARN COC(=O)c1c2c(sc1NC(=S)NCc1ccncc1)CCC2 ZINC000006288202 471538567 /nfs/dbraw/zinc/53/85/67/471538567.db2.gz HWGVUDYVFKXNNC-UHFFFAOYSA-N 0 0 347.465 2.905 50 0 EFAARN Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1 ZINC000006320478 471540659 /nfs/dbraw/zinc/54/06/59/471540659.db2.gz GVBJVVUWHOJWMO-UHFFFAOYSA-N 0 0 347.425 2.551 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000006348224 471541893 /nfs/dbraw/zinc/54/18/93/471541893.db2.gz WXZJIPPMEVZPDM-UHFFFAOYSA-N 0 0 326.352 2.749 50 0 EFAARN 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342.380 2.774 50 0 EFAARN COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc(OC)c1O ZINC000008714788 471700232 /nfs/dbraw/zinc/70/02/32/471700232.db2.gz ORVLDCYMBARQSD-SNVBAGLBSA-N 0 0 348.326 2.977 50 0 EFAARN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000008714749 471700331 /nfs/dbraw/zinc/70/03/31/471700331.db2.gz ZTEMQZZZGYOJRY-LBPRGKRZSA-N 0 0 347.864 2.895 50 0 EFAARN COC(=O)C1C(C)=Nc2nc(SC)nn2[C@@H]1c1ccc(F)cc1 ZINC000008843464 471705140 /nfs/dbraw/zinc/70/51/40/471705140.db2.gz GDMIQMHMEPUCJV-GFCCVEGCSA-N 0 0 334.376 2.601 50 0 EFAARN CN1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)NC1=S ZINC000008914194 471706676 /nfs/dbraw/zinc/70/66/76/471706676.db2.gz NGJCBLOKRJNUPG-MLGOLLRUSA-N 0 0 349.843 2.565 50 0 EFAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3ncnc3c12 ZINC000008993112 471707376 /nfs/dbraw/zinc/70/73/76/471707376.db2.gz OAQQQUGKBBSZTC-UHFFFAOYSA-N 0 0 343.188 2.843 50 0 EFAARN COc1cc(C)cc2oc(=O)c(CC(=O)Nc3cccnc3)c(C)c12 ZINC000009340774 471714724 /nfs/dbraw/zinc/71/47/24/471714724.db2.gz 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/nfs/dbraw/zinc/77/24/42/471772442.db2.gz KXIOOJVPEOQXCE-UHFFFAOYSA-N 0 0 338.386 2.524 50 0 EFAARN CC(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000012379761 471773619 /nfs/dbraw/zinc/77/36/19/471773619.db2.gz AOGGNKPUFDHSNL-UHFFFAOYSA-N 0 0 339.395 2.734 50 0 EFAARN COc1ccc(C=O)cc1CN1CCN(c2ccccc2F)CC1 ZINC000012371094 471773696 /nfs/dbraw/zinc/77/36/96/471773696.db2.gz UESWFMZACPWZCK-UHFFFAOYSA-N 0 0 328.387 2.969 50 0 EFAARN Cc1ccc2oc(=O)cc(CN3CCN(c4ccccn4)CC3)c2c1 ZINC000012391390 471775090 /nfs/dbraw/zinc/77/50/90/471775090.db2.gz MITUYISPEKBQEO-UHFFFAOYSA-N 0 0 335.407 2.819 50 0 EFAARN Cc1cc(=O)[nH]c2cc(C)c(S(=O)(=O)N3CCCCC3)c(C)c12 ZINC000012446759 471776071 /nfs/dbraw/zinc/77/60/71/471776071.db2.gz GEMHSANWHNDBFW-UHFFFAOYSA-N 0 0 334.441 2.628 50 0 biogenic,in-vitro EFAARN Cc1ccc(-c2cc(C(=O)N3CC(=O)Nc4ccccc43)n[nH]2)cc1 ZINC000012551658 471781296 /nfs/dbraw/zinc/78/12/96/471781296.db2.gz QWRBSNWLQYWSNY-UHFFFAOYSA-N 0 0 332.363 2.984 50 0 EFAARN O=C(Cc1cccc(F)c1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000012571318 471782743 /nfs/dbraw/zinc/78/27/43/471782743.db2.gz CHYUMBKZAZQQRO-MRXNPFEDSA-N 0 0 332.419 2.808 50 0 EFAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc(N4CCOCC4)cc3)C(=O)[C@@H]2C1 ZINC000012562498 471782799 /nfs/dbraw/zinc/78/27/99/471782799.db2.gz GQCZEUJZMZKGFY-HDICACEKSA-N 0 0 340.423 2.759 50 0 EFAARN O=C(N[C@H]1CCOC1)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012588859 471783654 /nfs/dbraw/zinc/78/36/54/471783654.db2.gz HLDPWCKAMVQGHQ-HNNXBMFYSA-N 0 0 342.395 2.651 50 0 EFAARN CCn1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1 ZINC000012591622 471783788 /nfs/dbraw/zinc/78/37/88/471783788.db2.gz QYCCCRCUJSOQOL-UHFFFAOYSA-N 0 0 349.438 2.864 50 0 EFAARN O=C(NC1CC1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012585012 471783925 /nfs/dbraw/zinc/78/39/25/471783925.db2.gz TVLGISNFTFDPAY-GFCCVEGCSA-N 0 0 340.345 2.723 50 0 EFAARN O=C(CCn1cccn1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012581838 471784287 /nfs/dbraw/zinc/78/42/87/471784287.db2.gz MQGIPIYDSZUAHZ-QGZVFWFLSA-N 0 0 347.422 2.924 50 0 EFAARN CCOCCn1c2ccccc2s/c1=N/C(=O)c1cc(C)no1 ZINC000012634306 471787167 /nfs/dbraw/zinc/78/71/67/471787167.db2.gz UQIFCIGGGIGPDY-WUKNDPDISA-N 0 0 331.397 2.777 50 0 EFAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-n2cnnn2)cc1 ZINC000012789962 471796905 /nfs/dbraw/zinc/79/69/05/471796905.db2.gz CORFRQWNTXUFES-UHFFFAOYSA-N 0 0 332.367 2.715 50 0 EFAARN Cc1cc(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)no1 ZINC000012845991 471800409 /nfs/dbraw/zinc/80/04/09/471800409.db2.gz JQFKXSUIRQRGND-UHFFFAOYSA-N 0 0 325.250 2.605 50 0 EFAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000012864435 471801617 /nfs/dbraw/zinc/80/16/17/471801617.db2.gz OXGZEYZXWYFFBH-UHFFFAOYSA-N 0 0 327.359 2.712 50 0 EFAARN Cc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1 ZINC000012866173 471802010 /nfs/dbraw/zinc/80/20/10/471802010.db2.gz CIBLAOJPPDFVED-UHFFFAOYSA-N 0 0 337.423 2.635 50 0 EFAARN COc1cc2c(cc1OC)CN(C(=O)NCc1ccccc1)CC2 ZINC000012896128 471804410 /nfs/dbraw/zinc/80/44/10/471804410.db2.gz YVWMURMSNHPDEX-UHFFFAOYSA-N 0 0 326.396 2.972 50 0 biogenic EFAARN O=C(Cc1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCO2 ZINC000012919308 471805153 /nfs/dbraw/zinc/80/51/53/471805153.db2.gz NAXQPZPEAIMZHN-UHFFFAOYSA-N 0 0 330.211 2.901 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000013140377 471817380 /nfs/dbraw/zinc/81/73/80/471817380.db2.gz XKGWRPLBYMWXIC-UHFFFAOYSA-N 0 0 336.395 2.534 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2nnnc2N1 ZINC000013125259 471818267 /nfs/dbraw/zinc/81/82/67/471818267.db2.gz XVAOPEWSEGSXRG-CQSZACIVSA-N 0 0 338.396 2.662 50 0 EFAARN O=C(Nc1ccc(N2CCOCC2)c2nonc21)C1CCCCC1 ZINC000013326693 471826049 /nfs/dbraw/zinc/82/60/49/471826049.db2.gz NJISPCWRFLCEJL-UHFFFAOYSA-N 0 0 330.388 2.578 50 0 EFAARN Cc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000013355588 471827352 /nfs/dbraw/zinc/82/73/52/471827352.db2.gz POPZGYFZKOQKTO-UHFFFAOYSA-N 0 0 347.422 2.538 50 0 EFAARN O=C(NCc1ccc(F)cc1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000013355667 471827711 /nfs/dbraw/zinc/82/77/11/471827711.db2.gz XBRHDBNGPYIDEJ-UHFFFAOYSA-N 0 0 330.750 2.990 50 0 EFAARN CCCCN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000013482405 471830864 /nfs/dbraw/zinc/83/08/64/471830864.db2.gz QTNWTSGOIKOVAQ-AWEZNQCLSA-N 0 0 326.487 2.673 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000013522263 471831949 /nfs/dbraw/zinc/83/19/49/471831949.db2.gz HTAVGLZBGYINMH-UHFFFAOYSA-N 0 0 336.347 2.957 50 0 EFAARN Nc1c(C(=O)N2CCCCC2)sc(=S)n1C[C@@H]1CCCO1 ZINC000013547179 471832664 /nfs/dbraw/zinc/83/26/64/471832664.db2.gz VWNXEFPJBNNJHH-JTQLQIEISA-N 0 0 327.475 2.666 50 0 EFAARN COc1cc(NC(=S)NC[C@H]2CCCO2)c(OC)cc1Cl ZINC000013497416 471832765 /nfs/dbraw/zinc/83/27/65/471832765.db2.gz BJXITOUVJXFZEW-SECBINFHSA-N 0 0 330.837 2.823 50 0 EFAARN COCc1cc(C)[nH]c(=O)c1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013571094 471833235 /nfs/dbraw/zinc/83/32/35/471833235.db2.gz OVGMEUKOOJBTBM-UHFFFAOYSA-N 0 0 330.428 2.528 50 0 EFAARN CC[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccccc1OC ZINC000013572992 471833701 /nfs/dbraw/zinc/83/37/01/471833701.db2.gz HYLXBLFVHHRMKZ-LBPRGKRZSA-N 0 0 343.412 2.871 50 0 EFAARN COc1ccc(-n2nc(C(=O)NC3CC3)nc2-c2ccccc2)cc1 ZINC000013568890 471833932 /nfs/dbraw/zinc/83/39/32/471833932.db2.gz TYYQKBGYJLSTMS-UHFFFAOYSA-N 0 0 334.379 2.835 50 0 EFAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccccc1Cl ZINC000013627043 471834377 /nfs/dbraw/zinc/83/43/77/471834377.db2.gz PJUWTYZFYKELSS-OAHLLOKOSA-N 0 0 334.803 2.736 50 0 EFAARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000013668916 471837151 /nfs/dbraw/zinc/83/71/51/471837151.db2.gz FCSGEVMRZODUPK-UHFFFAOYSA-N 0 0 335.381 2.591 50 0 EFAARN O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(Cl)c1 ZINC000013692498 471838812 /nfs/dbraw/zinc/83/88/12/471838812.db2.gz DPMLJYQRQUFLGL-CQSZACIVSA-N 0 0 340.770 2.866 50 0 EFAARN COc1ccc(N2C(=O)C[C@@H](Nc3cccc4ncccc43)C2=O)cc1 ZINC000013685001 471838916 /nfs/dbraw/zinc/83/89/16/471838916.db2.gz KPALPVGSNRDMPC-GOSISDBHSA-N 0 0 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/nfs/dbraw/zinc/99/05/42/471990542.db2.gz WYWUYCOEGXENEV-UHFFFAOYSA-N 0 0 325.340 2.689 50 0 EFAARN O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ncccn2)CC1 ZINC000020534524 471991582 /nfs/dbraw/zinc/99/15/82/471991582.db2.gz RHCOAADATNQYHB-UHFFFAOYSA-N 0 0 335.770 2.623 50 0 EFAARN CC[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=S)[nH]c2=O)[NH2+]1 ZINC000020759748 471992675 /nfs/dbraw/zinc/99/26/75/471992675.db2.gz TYSKKCPATHSIQF-RTHLEPHNSA-N 0 0 342.424 2.633 50 0 biogenic EFAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2OC)N1 ZINC000035183148 471994271 /nfs/dbraw/zinc/99/42/71/471994271.db2.gz HEJJVRDMWRVRCQ-FUHWJXTLSA-N 0 0 336.391 2.953 50 0 biogenic,in-vitro EFAARN CCOc1c(OC)cccc1[C@@H]1SCC(=O)Nc2n[nH]c(C)c21 ZINC000021788393 472004118 /nfs/dbraw/zinc/00/41/18/472004118.db2.gz RELQEPFCJUVKOD-HNNXBMFYSA-N 0 0 333.413 2.900 50 0 EFAARN C[C@H]1CN(c2nc3c(cnn3C)c(Nc3ccccc3)n2)C[C@H](C)O1 ZINC000021873375 472005772 /nfs/dbraw/zinc/00/57/72/472005772.db2.gz KWRJCXMSVMOTRB-STQMWFEESA-N 0 0 338.415 2.721 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334.466 2.769 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccc3)n2)cc1 ZINC000041254459 472050975 /nfs/dbraw/zinc/05/09/75/472050975.db2.gz IXOVADOHBPUVTM-UHFFFAOYSA-N 0 0 347.418 2.925 50 0 EFAARN O=C(NC1CCCC1)c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O ZINC000067630957 472063226 /nfs/dbraw/zinc/06/32/26/472063226.db2.gz ICHMCGKFMKGUGL-LLVKDONJSA-N 0 0 340.379 2.553 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000024692227 472063623 /nfs/dbraw/zinc/06/36/23/472063623.db2.gz ZLTMAHPYPJFLPT-UHFFFAOYSA-N 0 0 330.457 2.775 50 0 EFAARN CCN(CCO)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000067641447 472063737 /nfs/dbraw/zinc/06/37/37/472063737.db2.gz UTNMAQFNYKDHKL-UHFFFAOYSA-N 0 0 342.754 2.501 50 0 EFAARN CCCc1cc(N2CCN(Cc3[nH]nc(C)c3Cl)CC2)nc(C)n1 ZINC000067673382 472069011 /nfs/dbraw/zinc/06/90/11/472069011.db2.gz LSCGGYOXRNIOBO-UHFFFAOYSA-N 0 0 348.882 2.745 50 0 EFAARN O=C(NCc1ccccc1F)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000024845785 472069728 /nfs/dbraw/zinc/06/97/28/472069728.db2.gz KYAOKRIQUOZBJF-UHFFFAOYSA-N 0 0 330.750 2.990 50 0 EFAARN Nc1nccc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)n1 ZINC000067712594 472078418 /nfs/dbraw/zinc/07/84/18/472078418.db2.gz RMIOOKSHDLYUDG-ZDUSSCGKSA-N 0 0 338.390 2.972 50 0 EFAARN CC(C)(Br)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000041672840 472078430 /nfs/dbraw/zinc/07/84/30/472078430.db2.gz LFKXNKHBZXSTEP-UHFFFAOYSA-N 0 0 325.250 2.504 50 0 EFAARN O=C(NCc1ccc(Cl)s1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000025522476 472099880 /nfs/dbraw/zinc/09/98/80/472099880.db2.gz FAMURUXXCUARIP-JTQLQIEISA-N 0 0 326.849 2.809 50 0 EFAARN CN(C)c1ccnc(N2CCC[C@](CO)(Cc3ccccc3F)C2)n1 ZINC000067885380 472104148 /nfs/dbraw/zinc/10/41/48/472104148.db2.gz YKGUSDPKLWSJBJ-IBGZPJMESA-N 0 0 344.434 2.503 50 0 EFAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000075534558 472152896 /nfs/dbraw/zinc/15/28/96/472152896.db2.gz FNTOJKZQVLWKLE-HNNXBMFYSA-N 0 0 348.406 2.785 50 0 EFAARN COc1ccc(NC2=Nn3c(nnc3C(F)(F)F)SC2)cc1 ZINC000027298981 472170124 /nfs/dbraw/zinc/17/01/24/472170124.db2.gz VDOCZNXDUGGABD-UHFFFAOYSA-N 0 0 329.307 2.685 50 0 EFAARN CCOc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1Br ZINC000027530726 472179542 /nfs/dbraw/zinc/17/95/42/472179542.db2.gz NMEZHPCWPMVCTM-VIFPVBQESA-N 0 0 336.251 2.925 50 0 EFAARN CC(C)COC[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccco1 ZINC000084544441 472190951 /nfs/dbraw/zinc/19/09/51/472190951.db2.gz JZZIDONNDICSCF-OAHLLOKOSA-N 0 0 328.372 2.695 50 0 EFAARN CCCCc1nnc(NC(=O)c2cnn(C)c2-n2cccc2)s1 ZINC000043071013 472196442 /nfs/dbraw/zinc/19/64/42/472196442.db2.gz RJUJRYVLTTXDPT-UHFFFAOYSA-N 0 0 330.417 2.657 50 0 EFAARN CCCCCCCC(=O)[C@H](CCCCCC)C(=O)NC(CO)CO ZINC000043129502 472201929 /nfs/dbraw/zinc/20/19/29/472201929.db2.gz CGYVFCHCRBGGJG-KRWDZBQOSA-N 0 0 343.508 2.972 50 0 EFAARN Cc1cc(NC(=O)c2cc3c(cc2Br)OCCO3)no1 ZINC000028048556 472211779 /nfs/dbraw/zinc/21/17/79/472211779.db2.gz FFCNAUVDSLVDSQ-UHFFFAOYSA-N 0 0 339.145 2.769 50 0 EFAARN COCCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000028202525 472217676 /nfs/dbraw/zinc/21/76/76/472217676.db2.gz JUABKKKGOPEVNG-HNNXBMFYSA-N 0 0 340.851 2.637 50 0 EFAARN Cc1noc(C)c1CCCNC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000084804162 472219368 /nfs/dbraw/zinc/21/93/68/472219368.db2.gz DVDDNIYHIUQRIY-UHFFFAOYSA-N 0 0 343.358 2.635 50 0 EFAARN COc1cccc2c1OC[C@H](C(=O)NCCCc1c(C)noc1C)C2 ZINC000084803988 472219447 /nfs/dbraw/zinc/21/94/47/472219447.db2.gz OGEFPLPBNPUSFM-OAHLLOKOSA-N 0 0 344.411 2.600 50 0 EFAARN O=C(C=Cc1ccccc1)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000028284084 472221076 /nfs/dbraw/zinc/22/10/76/472221076.db2.gz LCMPPCNYBOPJLU-BWLFODOESA-N 0 0 344.436 2.823 50 0 EFAARN Nc1nnc2[n-][nH+]c(-c3c4ccccn4nc3-c3ccccc3)cc1-2 ZINC000028565323 472229369 /nfs/dbraw/zinc/22/93/69/472229369.db2.gz XVECMUKVOMUNLE-UHFFFAOYSA-N 0 0 327.351 2.917 50 0 in-vivo EFAARN Cc1ccc(CNC(=O)COC(=O)COc2ccc(C)cc2)cc1 ZINC000028628032 472229742 /nfs/dbraw/zinc/22/97/42/472229742.db2.gz BFTYGEDYFZPTNO-UHFFFAOYSA-N 0 0 327.380 2.542 50 0 EFAARN C[C@H](Cc1ccoc1)NS(=O)(=O)c1ccccc1Br ZINC000084953349 472230064 /nfs/dbraw/zinc/23/00/64/472230064.db2.gz XPUSKDYCQWDMNV-SNVBAGLBSA-N 0 0 344.230 2.952 50 0 EFAARN O=C(Nc1ccncc1F)c1cnc2c(Cl)cc(Cl)nn12 ZINC000085224081 472233694 /nfs/dbraw/zinc/23/36/94/472233694.db2.gz IBJJGMFVYRSOGS-UHFFFAOYSA-N 0 0 326.118 2.823 50 0 EFAARN O=S(=O)(NCC[C@H](O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000085436487 472248071 /nfs/dbraw/zinc/24/80/71/472248071.db2.gz HPLIPSILPMEMGK-IBGZPJMESA-N 0 0 345.464 2.967 50 0 EFAARN Cn1c(=O)n(Cc2csc(-c3ccccc3)n2)nc1C(F)(F)F ZINC000085470731 472251356 /nfs/dbraw/zinc/25/13/56/472251356.db2.gz WJGHFOPIDRZGMM-UHFFFAOYSA-N 0 0 340.330 2.772 50 0 EFAARN CCc1ccccc1NC(=O)COc1cc(-n2cccn2)nc(C)n1 ZINC000085471902 472251387 /nfs/dbraw/zinc/25/13/87/472251387.db2.gz AGILUBVUVMRILH-UHFFFAOYSA-N 0 0 337.383 2.551 50 0 EFAARN O=C(c1nc2ccccc2s1)N1CCC(Oc2cnccn2)CC1 ZINC000085471871 472251460 /nfs/dbraw/zinc/25/14/60/472251460.db2.gz RVYBPOWYVBACKR-UHFFFAOYSA-N 0 0 340.408 2.770 50 0 EFAARN O=C(NCCNc1cc(Nc2ccccn2)ncn1)C1CCCCC1 ZINC000085472219 472251598 /nfs/dbraw/zinc/25/15/98/472251598.db2.gz XRZRDHPOTVFGOI-UHFFFAOYSA-N 0 0 340.431 2.724 50 0 EFAARN Cc1ccc(S(=O)(=O)NCc2cc(-c3ccco3)n(C)n2)cc1C ZINC000085471376 472251788 /nfs/dbraw/zinc/25/17/88/472251788.db2.gz IXCIUZZZBHQLCI-UHFFFAOYSA-N 0 0 345.424 2.775 50 0 EFAARN Cc1ccc(C)c(C(=O)NCCNc2ccc(-n3cccc3)nn2)c1 ZINC000085472053 472251800 /nfs/dbraw/zinc/25/18/00/472251800.db2.gz NDTQELMZEQVIIM-UHFFFAOYSA-N 0 0 335.411 2.726 50 0 EFAARN Cn1nc(CNC(=O)c2ccc3nsnc3c2)cc1-c1ccco1 ZINC000085471341 472251892 /nfs/dbraw/zinc/25/18/92/472251892.db2.gz JVTFRBDZNLYDAT-UHFFFAOYSA-N 0 0 339.380 2.615 50 0 EFAARN Cc1nccn1-c1ncc(NC(=O)COc2ccc(Cl)cc2)cn1 ZINC000085470435 472252075 /nfs/dbraw/zinc/25/20/75/472252075.db2.gz HOEDOCMGJFWBMH-UHFFFAOYSA-N 0 0 343.774 2.642 50 0 EFAARN Cc1cccc(C(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c1 ZINC000085472069 472252138 /nfs/dbraw/zinc/25/21/38/472252138.db2.gz KGPTZKCBNNBLLG-UHFFFAOYSA-N 0 0 347.422 2.538 50 0 EFAARN COc1ccccc1C(=O)Nc1cnc(-n2nc(C)c(C)c2C)nc1 ZINC000085470396 472252221 /nfs/dbraw/zinc/25/22/21/472252221.db2.gz XFHBYVWMGRRITA-UHFFFAOYSA-N 0 0 337.383 2.848 50 0 EFAARN CCn1nc(C)cc1C(=O)N1CC(Oc2nc3ccccc3s2)C1 ZINC000085471161 472252324 /nfs/dbraw/zinc/25/23/24/472252324.db2.gz KUSQOSUUIHZSJO-UHFFFAOYSA-N 0 0 342.424 2.725 50 0 EFAARN Cc1cc(C)n(-c2nc(CCNC(=O)c3ccsc3)cs2)n1 ZINC000085473525 472252932 /nfs/dbraw/zinc/25/29/32/472252932.db2.gz HRFJXNJFELGCCA-UHFFFAOYSA-N 0 0 332.454 2.980 50 0 EFAARN CC(=O)c1cccc(NC(=O)Cn2c(C)nc(C(C)(C)C)cc2=O)c1 ZINC000085474021 472253459 /nfs/dbraw/zinc/25/34/59/472253459.db2.gz BLPBEMMOOIZTFQ-UHFFFAOYSA-N 0 0 341.411 2.691 50 0 EFAARN Cc1cc(C)n(-c2ncc(NC(=O)[C@H](C)Oc3ccccc3)cn2)n1 ZINC000085555424 472255385 /nfs/dbraw/zinc/25/53/85/472255385.db2.gz DWOBGYKZCNRKOK-AWEZNQCLSA-N 0 0 337.383 2.685 50 0 EFAARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Cc1c(F)cccc1Cl ZINC000085533964 472255916 /nfs/dbraw/zinc/25/59/16/472255916.db2.gz ZNWOBRSPDXTDTQ-OAHLLOKOSA-N 0 0 340.826 2.881 50 0 EFAARN O=C(c1ccccn1)N1CCC(Cc2nncn2-c2ccccc2)CC1 ZINC000085533935 472256218 /nfs/dbraw/zinc/25/62/18/472256218.db2.gz WPJOUVMVONIKBT-UHFFFAOYSA-N 0 0 347.422 2.757 50 0 EFAARN COc1ccc(NC(=O)Nc2cnc(-n3ccnc3C)nc2)c(C)c1 ZINC000085555636 472256480 /nfs/dbraw/zinc/25/64/80/472256480.db2.gz FEIWUYBVZMHHDL-UHFFFAOYSA-N 0 0 338.371 2.932 50 0 EFAARN O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1c(F)cccc1Cl ZINC000085559102 472257085 /nfs/dbraw/zinc/25/70/85/472257085.db2.gz JQXBLGGIYGIQOG-CQSZACIVSA-N 0 0 335.762 2.877 50 0 EFAARN O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 ZINC000085560756 472257279 /nfs/dbraw/zinc/25/72/79/472257279.db2.gz DYAMBAOUQZHPPP-SNVBAGLBSA-N 0 0 339.800 2.984 50 0 EFAARN O=C(NCc1ccc(F)cc1)NC[C@]1(O)CCc2ccccc2C1 ZINC000085560578 472257407 /nfs/dbraw/zinc/25/74/07/472257407.db2.gz WAIBCJFPDWVUED-IBGZPJMESA-N 0 0 328.387 2.545 50 0 EFAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000085560743 472257481 /nfs/dbraw/zinc/25/74/81/472257481.db2.gz HVGQXJHMTHONAO-AWEZNQCLSA-N 0 0 335.306 2.547 50 0 EFAARN O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000085559206 472257571 /nfs/dbraw/zinc/25/75/71/472257571.db2.gz CBQXLBTXKMZUFE-QGZVFWFLSA-N 0 0 343.448 2.954 50 0 EFAARN Cc1cc([C@H](O)CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)o1 ZINC000085561972 472258807 /nfs/dbraw/zinc/25/88/07/472258807.db2.gz KHFZBUVRXFYMAL-QGZVFWFLSA-N 0 0 344.411 2.692 50 0 EFAARN O=C(Nc1cccc2c[nH]nc21)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000029384678 472272370 /nfs/dbraw/zinc/27/23/70/472272370.db2.gz OQBFIUJYPXUABZ-MRXNPFEDSA-N 0 0 348.406 2.593 50 0 EFAARN COc1cccc2c1OC[C@H](C(=O)NCCc1cccc(C)c1)C2 ZINC000076141005 472284144 /nfs/dbraw/zinc/28/41/44/472284144.db2.gz STYYUTWIPNMFAL-QGZVFWFLSA-N 0 0 325.408 2.914 50 0 EFAARN O=C(NCc1ccccc1Cl)c1cn(-c2cccc(F)c2)nn1 ZINC000044167863 472287953 /nfs/dbraw/zinc/28/79/53/472287953.db2.gz NKHSBJAIUIYXMJ-UHFFFAOYSA-N 0 0 330.750 2.990 50 0 EFAARN COc1ccccc1CNC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000044167783 472288049 /nfs/dbraw/zinc/28/80/49/472288049.db2.gz CTETWRIQTRQSQI-UHFFFAOYSA-N 0 0 342.786 2.859 50 0 EFAARN Cc1noc(C)c1CC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000029773378 472296050 /nfs/dbraw/zinc/29/60/50/472296050.db2.gz RJTGQGHKMVCEPY-UHFFFAOYSA-N 0 0 345.418 2.708 50 0 EFAARN O=C(Cn1ccc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000044450202 472308834 /nfs/dbraw/zinc/30/88/34/472308834.db2.gz RPRHSLXXDVPSBB-UHFFFAOYSA-N 0 0 333.435 2.986 50 0 EFAARN O=C(c1ccc2c(c1)CCO2)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000069406725 472335062 /nfs/dbraw/zinc/33/50/62/472335062.db2.gz WZMADCZQHIAWDM-UHFFFAOYSA-N 0 0 343.814 2.632 50 0 EFAARN O=C(Cc1ccsc1)OCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000044836757 472342210 /nfs/dbraw/zinc/34/22/10/472342210.db2.gz OWKDMFPMKDABJR-UHFFFAOYSA-N 0 0 344.348 2.813 50 0 EFAARN Cc1cc(F)ccc1NC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000044841328 472342225 /nfs/dbraw/zinc/34/22/25/472342225.db2.gz WKPWQUHMBWHHST-UHFFFAOYSA-N 0 0 325.343 2.791 50 0 EFAARN CC(=O)c1cccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)c1 ZINC000044893293 472348476 /nfs/dbraw/zinc/34/84/76/472348476.db2.gz MWWYLINAVFCFNW-UHFFFAOYSA-N 0 0 341.415 2.855 50 0 EFAARN CCN(CC)C(=O)c1cnc2ccc(OC(F)(F)F)cc2c1O ZINC000044891898 472348867 /nfs/dbraw/zinc/34/88/67/472348867.db2.gz IIOVKBWOJNRRSC-UHFFFAOYSA-N 0 0 328.290 2.909 50 0 EFAARN COCc1nnc(NC(=O)c2csc(NCCC(C)C)n2)s1 ZINC000044902700 472351064 /nfs/dbraw/zinc/35/10/64/472351064.db2.gz QDNTWTLBAVUPQZ-UHFFFAOYSA-N 0 0 341.462 2.851 50 0 EFAARN Cc1ncccc1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000088241965 472351209 /nfs/dbraw/zinc/35/12/09/472351209.db2.gz UTQXJPQBFBCUNZ-UHFFFAOYSA-N 0 0 337.354 2.991 50 0 EFAARN CCn1nc(C)c(-c2nn3c(nnc3-c3ccncc3)s2)c1C ZINC000044919810 472353427 /nfs/dbraw/zinc/35/34/27/472353427.db2.gz YLHSOPJNKISSFD-UHFFFAOYSA-N 0 0 325.401 2.748 50 0 EFAARN COc1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1 ZINC000044921587 472353826 /nfs/dbraw/zinc/35/38/26/472353826.db2.gz MLALUYGDFJDPAM-UHFFFAOYSA-N 0 0 329.404 2.661 50 0 EFAARN CC[C@H](C)NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955075 472355338 /nfs/dbraw/zinc/35/53/38/472355338.db2.gz PDUNTBOSAQKMND-AWEZNQCLSA-N 0 0 342.443 2.863 50 0 EFAARN CC[C@@H](C)N1COc2ccc3c(C)c(CC(=O)OC)c(=O)oc3c2C1 ZINC000057134794 472384284 /nfs/dbraw/zinc/38/42/84/472384284.db2.gz DFWGWJNRNISVJR-LLVKDONJSA-N 0 0 345.395 2.767 50 0 EFAARN O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1 ZINC000045251422 472386501 /nfs/dbraw/zinc/38/65/01/472386501.db2.gz JTCKUZIOJDTCBK-AWEZNQCLSA-N 0 0 329.421 2.518 50 0 EFAARN CC(=O)Nc1ccc2c(c1)nc(COc1ccc3c(c1)OCO3)n2C ZINC000031818123 472397133 /nfs/dbraw/zinc/39/71/33/472397133.db2.gz GUWRFMYFECLZQJ-UHFFFAOYSA-N 0 0 339.351 2.839 50 0 EFAARN CCOC(=O)c1c(N)sc2c1CCN(CC(=O)c1ccccc1)C2 ZINC000031829557 472397594 /nfs/dbraw/zinc/39/75/94/472397594.db2.gz LRAZAABAHQXGHV-UHFFFAOYSA-N 0 0 344.436 2.748 50 0 EFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(F)cc1)CC(=O)N2 ZINC000031819038 472398241 /nfs/dbraw/zinc/39/82/41/472398241.db2.gz SFBCKXFNHNSJGI-LBPRGKRZSA-N 0 0 339.330 2.939 50 0 EFAARN COc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)c(OC)c1 ZINC000031874725 472399178 /nfs/dbraw/zinc/39/91/78/472399178.db2.gz XUOWBKKIURSYCX-UHFFFAOYSA-N 0 0 338.367 2.845 50 0 EFAARN COc1cc(F)ccc1C(=O)C[C@]1(O)C(=O)Nc2c1cccc2Cl ZINC000032094836 472413595 /nfs/dbraw/zinc/41/35/95/472413595.db2.gz QRKPPCSJLNVHGW-QGZVFWFLSA-N 0 0 349.745 2.900 50 0 EFAARN Cn1ncc2c1nc(Nc1ccc(Cl)cc1)nc2NCCCO ZINC000032093086 472413879 /nfs/dbraw/zinc/41/38/79/472413879.db2.gz RSTIJCKAUGEDHF-UHFFFAOYSA-N 0 0 332.795 2.555 50 0 EFAARN O=C(c1cc(-c2ccccn2)nc2cc(F)ccc21)N1CCOCC1 ZINC000032092472 472414775 /nfs/dbraw/zinc/41/47/75/472414775.db2.gz RZOSCXUTVIDCLK-UHFFFAOYSA-N 0 0 337.354 2.908 50 0 EFAARN CCOC(=O)N1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 ZINC000032090567 472414845 /nfs/dbraw/zinc/41/48/45/472414845.db2.gz NHJJWYLFXINDDZ-UHFFFAOYSA-N 0 0 349.818 2.595 50 0 EFAARN Cc1cnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 ZINC000032105799 472416025 /nfs/dbraw/zinc/41/60/25/472416025.db2.gz PICKRGHKJUEUAW-LBPRGKRZSA-N 0 0 333.388 2.578 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1CCc2ccccc2C1 ZINC000032124220 472416466 /nfs/dbraw/zinc/41/64/66/472416466.db2.gz BZPJFVVBCIVUJE-GOSISDBHSA-N 0 0 325.364 2.931 50 0 biogenic EFAARN Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@@H]2COCCO2)c1 ZINC000057357302 472420599 /nfs/dbraw/zinc/42/05/99/472420599.db2.gz WHNZSSYNKKSBEZ-KRWDZBQOSA-N 0 0 337.379 2.594 50 0 EFAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1csnn1 ZINC000032497963 472441558 /nfs/dbraw/zinc/44/15/58/472441558.db2.gz HOFKFPFEYPLOAJ-CQSZACIVSA-N 0 0 336.848 2.758 50 0 EFAARN C[C@H](NS(=O)(=O)c1cccc2nonc21)c1ccc(Cl)cc1 ZINC000032578713 472443114 /nfs/dbraw/zinc/44/31/14/472443114.db2.gz NTLJYAYCPBPFDU-VIFPVBQESA-N 0 0 337.788 2.916 50 0 EFAARN C[C@H](Cn1cncn1)n1cnc2sc3c(c2c1=O)CCCCC3 ZINC000032540575 472444374 /nfs/dbraw/zinc/44/43/74/472444374.db2.gz BHJSHNLTYPOTCA-LLVKDONJSA-N 0 0 329.429 2.580 50 0 EFAARN O=C(Nc1ccnn1Cc1ccco1)c1cc2ccccc2oc1=O ZINC000032593521 472445673 /nfs/dbraw/zinc/44/56/73/472445673.db2.gz JSWXEHHJTBCUMF-UHFFFAOYSA-N 0 0 335.319 2.883 50 0 EFAARN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000032610844 472446959 /nfs/dbraw/zinc/44/69/59/472446959.db2.gz CQSFBSYGNALWTO-UHFFFAOYSA-N 0 0 341.411 2.800 50 0 EFAARN O=C1CN(c2ncnc3sccc32)CCN1Cc1ccc(F)cc1 ZINC000032603494 472447143 /nfs/dbraw/zinc/44/71/43/472447143.db2.gz SIYNXKGUDRMXIB-UHFFFAOYSA-N 0 0 342.399 2.679 50 0 EFAARN CCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-c2cccc(F)c2)n1 ZINC000057508270 472448025 /nfs/dbraw/zinc/44/80/25/472448025.db2.gz NUHJNTMLFJOFNW-UHFFFAOYSA-N 0 0 331.391 2.527 50 0 EFAARN O=C(NCCCn1ccc2ccccc21)[C@@H]1Cc2ccccc2C(=O)N1 ZINC000097136928 472458061 /nfs/dbraw/zinc/45/80/61/472458061.db2.gz DLYFTQIYFZODCH-SFHVURJKSA-N 0 0 347.418 2.502 50 0 EFAARN COc1cc(C)c(CN2CCNC(=O)[C@@H]2Cc2ccccc2)cc1C ZINC000097137347 472458101 /nfs/dbraw/zinc/45/81/01/472458101.db2.gz APUZYMPEFCPLGR-IBGZPJMESA-N 0 0 338.451 2.855 50 0 EFAARN OC[C@H](CNc1nccc(-c2cccnc2)n1)Cc1ccsc1 ZINC000097137863 472458344 /nfs/dbraw/zinc/45/83/44/472458344.db2.gz SHANXWDUBJTIMC-AWEZNQCLSA-N 0 0 326.425 2.863 50 0 EFAARN Cc1nnc2n1C[C@H](NC(=O)c1csc(-c3ccsc3)n1)CC2 ZINC000097198015 472473879 /nfs/dbraw/zinc/47/38/79/472473879.db2.gz AIFBMYQXAVFLIY-LLVKDONJSA-N 0 0 345.453 2.516 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C2 ZINC000097198297 472475144 /nfs/dbraw/zinc/47/51/44/472475144.db2.gz SCZZZTQXPSCBGS-ZDUSSCGKSA-N 0 0 348.834 2.772 50 0 EFAARN CCOc1nnc(CN2CC[C@H](CNc3ccc(C)cn3)C2)s1 ZINC000097200523 472478097 /nfs/dbraw/zinc/47/80/97/472478097.db2.gz AOUARJVLEJJNBS-CYBMUJFWSA-N 0 0 333.461 2.574 50 0 EFAARN Cc1ccc(NC[C@@H]2CCN(Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000097200823 472478321 /nfs/dbraw/zinc/47/83/21/472478321.db2.gz RTIUKNPYSFGOBG-AWEZNQCLSA-N 0 0 339.399 2.967 50 0 EFAARN Cc1ccccc1CNC(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000097199835 472478486 /nfs/dbraw/zinc/47/84/86/472478486.db2.gz DBZGOIARPALQMC-ZBFHGGJFSA-N 0 0 345.468 2.530 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000057879425 472488932 /nfs/dbraw/zinc/48/89/32/472488932.db2.gz CDCWICWUNIEFQW-UHFFFAOYSA-N 0 0 345.406 2.969 50 0 EFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc2nccnc2c1 ZINC000077284650 472493438 /nfs/dbraw/zinc/49/34/38/472493438.db2.gz SZBBVRIKMRAAES-CQSZACIVSA-N 0 0 327.384 2.578 50 0 EFAARN CCS[C@@H](C)C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 ZINC000077287796 472494233 /nfs/dbraw/zinc/49/42/33/472494233.db2.gz GKZBWINBFMMGPM-HNNXBMFYSA-N 0 0 334.485 2.616 50 0 EFAARN Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000077287079 472494428 /nfs/dbraw/zinc/49/44/28/472494428.db2.gz WOZIKSXHBBJKNJ-OAHLLOKOSA-N 0 0 338.415 2.548 50 0 EFAARN O=C(CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000077285965 472494620 /nfs/dbraw/zinc/49/46/20/472494620.db2.gz AATKVHLDCNEZBO-CQSZACIVSA-N 0 0 329.375 2.918 50 0 EFAARN CC(C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088628 472495028 /nfs/dbraw/zinc/49/50/28/472495028.db2.gz PCMVDIYEDAIETJ-UHFFFAOYSA-N 0 0 330.409 2.630 50 0 EFAARN CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C ZINC000033088922 472495192 /nfs/dbraw/zinc/49/51/92/472495192.db2.gz JUCCSQLTPWJTLG-ZDUSSCGKSA-N 0 0 328.412 2.664 50 0 EFAARN Cc1ccccc1[C@H]1CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 ZINC000077303029 472496311 /nfs/dbraw/zinc/49/63/11/472496311.db2.gz XEQLFBPNKZDRCB-INIZCTEOSA-N 0 0 338.455 2.933 50 0 EFAARN Cc1ccccc1N1CCCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000077302041 472496777 /nfs/dbraw/zinc/49/67/77/472496777.db2.gz LXNFUPSPSOCCIY-UHFFFAOYSA-N 0 0 335.411 2.619 50 0 EFAARN Cc1nccn1CC(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000077299672 472496990 /nfs/dbraw/zinc/49/69/90/472496990.db2.gz AUKISYSAAPITLM-UHFFFAOYSA-N 0 0 328.803 2.911 50 0 EFAARN COCC1(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CCC1 ZINC000077298011 472497176 /nfs/dbraw/zinc/49/71/76/472497176.db2.gz LJIYGHWZKGEZTO-GOSISDBHSA-N 0 0 331.456 2.645 50 0 EFAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1cnn(-c2cccc(F)c2)c1 ZINC000077302438 472497203 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O=C(c1cn2ccsc2n1)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065386156 472930773 /nfs/dbraw/zinc/93/07/73/472930773.db2.gz JEFPWELKIHHSPQ-DZGCQCFKSA-N 0 0 345.399 2.526 50 0 EFAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CNC(=O)C2)CC1 ZINC000065385676 472931101 /nfs/dbraw/zinc/93/11/01/472931101.db2.gz NCYNWXIWCNYQKU-UHFFFAOYSA-N 0 0 341.333 2.839 50 0 EFAARN Cc1cccc(-n2nc(CC(C)C)nc2Cc2cnc3ncnn3c2)c1 ZINC000065387810 472931122 /nfs/dbraw/zinc/93/11/22/472931122.db2.gz RFOQIWMUVYGBDJ-UHFFFAOYSA-N 0 0 347.426 2.803 50 0 EFAARN CCC(=O)Nc1ccc(OCC(=O)N(CC)CC2CCOCC2)cc1 ZINC000065385406 472931186 /nfs/dbraw/zinc/93/11/86/472931186.db2.gz JQPRSAYWYGRGEI-UHFFFAOYSA-N 0 0 348.443 2.689 50 0 EFAARN Cc1ccsc1CNC(=O)c1ccc(C)c(N2CCNC2=O)c1 ZINC000065384216 472931724 /nfs/dbraw/zinc/93/17/24/472931724.db2.gz ZWBBXRTXEPPXKB-UHFFFAOYSA-N 0 0 329.425 2.825 50 0 EFAARN C[C@H](NC(=O)c1csc(Cc2ccccc2)n1)c1nnc(N)s1 ZINC000065383541 472931763 /nfs/dbraw/zinc/93/17/63/472931763.db2.gz PURDOLRJKHTNAT-VIFPVBQESA-N 0 0 345.453 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Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2nnc(N)s2)c1 ZINC000244899395 474567741 /nfs/dbraw/zinc/56/77/41/474567741.db2.gz ZJAPHYNMCGZSPE-NSHDSACASA-N 0 0 336.486 2.848 50 0 EFAARN COc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(C)c1 ZINC000244899476 474568398 /nfs/dbraw/zinc/56/83/98/474568398.db2.gz ZKMDNBBTGAKDSF-HBUWYVDXSA-N 0 0 326.396 2.641 50 0 EFAARN CCC1=NO[C@@H](CN(C)Cc2cnn(-c3cccc(OC)c3)c2)C1 ZINC000244858601 474568637 /nfs/dbraw/zinc/56/86/37/474568637.db2.gz VODLNTRCKIMBCT-GOSISDBHSA-N 0 0 328.416 2.868 50 0 EFAARN O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)[C@H]1CC[C@@H](O)CC1 ZINC000244900112 474568982 /nfs/dbraw/zinc/56/89/82/474568982.db2.gz ZWGJHUPKYBILGX-BPQIPLTHSA-N 0 0 328.387 2.977 50 0 EFAARN Cc1nc2c(c(C)n1)C[C@H](CN(C)Cc1cc(C(C)(C)C)n[nH]1)O2 ZINC000252482361 474667152 /nfs/dbraw/zinc/66/71/52/474667152.db2.gz DDTLQVMRRUTVIU-CQSZACIVSA-N 0 0 329.448 2.550 50 0 EFAARN Cc1noc(C)c1CN(C)C(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000252481356 474668138 /nfs/dbraw/zinc/66/81/38/474668138.db2.gz CJQPKXFHWFYPAH-UHFFFAOYSA-N 0 0 326.352 2.978 50 0 EFAARN CC(=O)c1c(C)nn([C@H](C)CC(=O)NCCc2nc(C)cs2)c1C ZINC000252483502 474669958 /nfs/dbraw/zinc/66/99/58/474669958.db2.gz FCSYGRAIHYAKML-LLVKDONJSA-N 0 0 348.472 2.777 50 0 EFAARN C[C@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000252485175 474670987 /nfs/dbraw/zinc/67/09/87/474670987.db2.gz GOSTWSNNVKVFJN-GDZNZVCISA-N 0 0 331.391 2.740 50 0 EFAARN O=C(CCC(=O)NC1CCCCCC1)NCc1cc(C2CC2)on1 ZINC000252487748 474673921 /nfs/dbraw/zinc/67/39/21/474673921.db2.gz IBDNLYSTEHBVQB-UHFFFAOYSA-N 0 0 333.432 2.787 50 0 EFAARN O=C(CCCN1CCCC1=O)N1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000252489299 474675559 /nfs/dbraw/zinc/67/55/59/474675559.db2.gz JNURYMFQQGPKKJ-CQSZACIVSA-N 0 0 348.468 2.572 50 0 EFAARN COC(=O)c1sccc1NC(=O)c1cnn(-c2ccccn2)c1C ZINC000252489053 474675693 /nfs/dbraw/zinc/67/56/93/474675693.db2.gz JEBJMUSOVMNLOD-UHFFFAOYSA-N 0 0 342.380 2.676 50 0 EFAARN O=C(CSc1cn[nH]n1)NCc1conc1-c1ccc(Cl)cc1 ZINC000252492132 474676485 /nfs/dbraw/zinc/67/64/85/474676485.db2.gz MDOIMCBAJPNWPY-UHFFFAOYSA-N 0 0 349.803 2.522 50 0 EFAARN Cc1ccc(CN2CCN(Cc3nccn3C3CC3)[C@@H](C)C2=O)cc1 ZINC000252490425 474676853 /nfs/dbraw/zinc/67/68/53/474676853.db2.gz KTCUDWPEAVYVSO-INIZCTEOSA-N 0 0 338.455 2.759 50 0 EFAARN Cc1noc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000252490416 474677104 /nfs/dbraw/zinc/67/71/04/474677104.db2.gz KSZHUIKKDIEZLZ-ZDUSSCGKSA-N 0 0 338.770 2.946 50 0 EFAARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000252496668 474680008 /nfs/dbraw/zinc/68/00/08/474680008.db2.gz POFPLEVXWNHUEP-QGZVFWFLSA-N 0 0 337.379 2.549 50 0 EFAARN Cc1ccn(CCN2CCN(c3nsc4ccccc43)CC2)n1 ZINC000252505413 474684061 /nfs/dbraw/zinc/68/40/61/474684061.db2.gz VRFHKLNKAVHJJE-UHFFFAOYSA-N 0 0 327.457 2.623 50 0 EFAARN Cc1oc2c(c1C(=O)N[C@H](C)c1cn3ncsc3n1)C(=O)CCC2 ZINC000252506645 474685993 /nfs/dbraw/zinc/68/59/93/474685993.db2.gz WBYPQMYGTIONRD-MRVPVSSYSA-N 0 0 344.396 2.702 50 0 EFAARN Cc1nc([C@@H]2CCCN(Cc3noc(-c4ccc(C)cc4)n3)C2)n[nH]1 ZINC000252510267 474686553 /nfs/dbraw/zinc/68/65/53/474686553.db2.gz ZFUXLOGTMMYMNZ-OAHLLOKOSA-N 0 0 338.415 2.851 50 0 EFAARN CC[C@H](C)[C@@H](CO)NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000252508716 474687539 /nfs/dbraw/zinc/68/75/39/474687539.db2.gz XRLTXMWDGQOUGA-MEDUHNTESA-N 0 0 333.407 2.590 50 0 EFAARN CCc1nc(C)c(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)s1 ZINC000252522968 474692418 /nfs/dbraw/zinc/69/24/18/474692418.db2.gz BNWYWNPBYPWMBJ-ZNMIVQPWSA-N 0 0 345.468 2.521 50 0 EFAARN Cc1nc(NCCN2CCCc3ccccc32)cc([C@H]2C[C@@H](O)C2)n1 ZINC000252523016 474693030 /nfs/dbraw/zinc/69/30/30/474693030.db2.gz BQKWPQCFZJZWOA-CALCHBBNSA-N 0 0 338.455 2.888 50 0 EFAARN Cn1cnc2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)ccc21 ZINC000252536520 474694886 /nfs/dbraw/zinc/69/48/86/474694886.db2.gz IUMXTVMCKOOREQ-BZSNNMDCSA-N 0 0 349.434 2.685 50 0 EFAARN Cc1ncccc1C(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000252550120 474695730 /nfs/dbraw/zinc/69/57/30/474695730.db2.gz RZOIBBRPGPPNCO-JTDSTZFVSA-N 0 0 338.407 2.567 50 0 EFAARN O[C@H]1C[C@@H](c2cc(NCC3(c4ccccc4)CCOCC3)ncn2)C1 ZINC000252550826 474696101 /nfs/dbraw/zinc/69/61/01/474696101.db2.gz SYIFYSKGNJWCIH-WOVMCDHWSA-N 0 0 339.439 2.875 50 0 EFAARN O[C@H]1C[C@@H](c2cc(N3CCN(c4ccccc4Cl)CC3)ncn2)C1 ZINC000252539218 474696780 /nfs/dbraw/zinc/69/67/80/474696780.db2.gz NWTGTGQSIQKDQT-OKILXGFUSA-N 0 0 344.846 2.695 50 0 EFAARN Cc1cc(-c2noc(CNC(=O)c3nc4ccccc4s3)n2)no1 ZINC000252570600 474697257 /nfs/dbraw/zinc/69/72/57/474697257.db2.gz WXKXPIDRUIEPHB-UHFFFAOYSA-N 0 0 341.352 2.573 50 0 EFAARN CC[C@@H](C)[C@@H](C(=O)N[C@@H](CO)[C@@H](C)CC)N1Cc2ccccc2C1=O ZINC000252587250 474699431 /nfs/dbraw/zinc/69/94/31/474699431.db2.gz WRCHTUFSIMGECA-DACLVMHWSA-N 0 0 346.471 2.580 50 0 biogenic EFAARN CCc1ccccc1OC1CN(c2cc([C@H]3C[C@@H](O)C3)nc(C)n2)C1 ZINC000253378524 474730469 /nfs/dbraw/zinc/73/04/69/474730469.db2.gz PSUQZORYFMLIBY-IYBDPMFKSA-N 0 0 339.439 2.853 50 0 EFAARN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3c(C)nsc3C)C2)n1 ZINC000292955604 474734934 /nfs/dbraw/zinc/73/49/34/474734934.db2.gz YTBKBLBDKNRIDB-AWEZNQCLSA-N 0 0 333.461 2.521 50 0 EFAARN COC(=O)C[C@@H](c1cccnc1)c1oc2ccccc2c(=O)c1O ZINC000253396317 474735659 /nfs/dbraw/zinc/73/56/59/474735659.db2.gz AZIHZPZVAASPFX-ZDUSSCGKSA-N 0 0 325.320 2.589 50 0 biogenic EFAARN CCOc1ccc(C(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1 ZINC000253397747 474736951 /nfs/dbraw/zinc/73/69/51/474736951.db2.gz FYVNGXDNQSHLJI-GOSISDBHSA-N 0 0 336.395 2.848 50 0 EFAARN COc1ccc(-c2nc3nccc(-c4cccnc4)n3n2)c(OC)c1 ZINC000253402440 474737483 /nfs/dbraw/zinc/73/74/83/474737483.db2.gz GJVCCESQJBSGNZ-UHFFFAOYSA-N 0 0 333.351 2.871 50 0 EFAARN O=C(/C=C/c1ccco1)NC[C@H](c1ccoc1)N1CCSCC1 ZINC000253405582 474739378 /nfs/dbraw/zinc/73/93/78/474739378.db2.gz SQKMPVXRTITCAQ-QDLOVBKTSA-N 0 0 332.425 2.792 50 0 EFAARN Cc1ccc(C)n1CC(=O)NCCn1cnc2cc(Cl)ccc21 ZINC000253412784 474740806 /nfs/dbraw/zinc/74/08/06/474740806.db2.gz RZVRTVLJKJRRDT-UHFFFAOYSA-N 0 0 330.819 2.924 50 0 EFAARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000253413150 474741480 /nfs/dbraw/zinc/74/14/80/474741480.db2.gz TYFZVQBDCSHUEP-CXAGYDPISA-N 0 0 327.428 2.887 50 0 EFAARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(O)cc1 ZINC000253409871 474741980 /nfs/dbraw/zinc/74/19/80/474741980.db2.gz MONBEVOQWSDMAS-INIZCTEOSA-N 0 0 342.395 2.602 50 0 EFAARN O=C(CCc1c[nH]c2ccccc12)NCCn1ccc2ccoc2c1=O ZINC000253473866 474761053 /nfs/dbraw/zinc/76/10/53/474761053.db2.gz ZJQXARWYHXDYAY-UHFFFAOYSA-N 0 0 349.390 2.825 50 0 EFAARN Cc1cc(S(=O)(=O)n2cncn2)c(C(C)C)cc1Br ZINC000261490618 474979950 /nfs/dbraw/zinc/97/99/50/474979950.db2.gz PASCTJRLYYPBNI-UHFFFAOYSA-N 0 0 344.234 2.709 50 0 EFAARN CN(C(=O)c1cncc(O)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273599638 474985088 /nfs/dbraw/zinc/98/50/88/474985088.db2.gz XYVDTTYAQZHZRQ-WBVHZDCISA-N 0 0 330.359 2.919 50 0 EFAARN O=C(N[C@H]1CCCNC1=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000296938385 475543213 /nfs/dbraw/zinc/54/32/13/475543213.db2.gz OEICYOJYAHANLC-HNNXBMFYSA-N 0 0 334.847 2.937 50 0 EFAARN O=C(NCc1cccc2cc[nH]c21)c1cnnn1Cc1ccccc1 ZINC000355054730 475630695 /nfs/dbraw/zinc/63/06/95/475630695.db2.gz QGHZEMDFWRDVLP-UHFFFAOYSA-N 0 0 331.379 2.738 50 0 EFAARN O=C(CSc1ccncc1)N1CCC[C@H]1c1nc(C2CC2)no1 ZINC000299755090 476150726 /nfs/dbraw/zinc/15/07/26/476150726.db2.gz BHMVIZHQPKILRP-ZDUSSCGKSA-N 0 0 330.413 2.798 50 0 EFAARN CCCCn1nccc1NC(=O)NC[C@H]1COc2ccccc2O1 ZINC000299769578 476152981 /nfs/dbraw/zinc/15/29/81/476152981.db2.gz QNTCSKGRTVNMHQ-ZDUSSCGKSA-N 0 0 330.388 2.645 50 0 EFAARN Cc1nn(C)cc1NC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000299774704 476153450 /nfs/dbraw/zinc/15/34/50/476153450.db2.gz HZGONPUGGZRELP-HNNXBMFYSA-N 0 0 327.432 2.719 50 0 EFAARN Cc1n[nH]c(CCC(=O)N[C@H](C)c2nncn2C2CCCC2)c1C ZINC000299764718 476154138 /nfs/dbraw/zinc/15/41/38/476154138.db2.gz CTZMAJLECZXNMU-CYBMUJFWSA-N 0 0 330.436 2.543 50 0 EFAARN C[C@@H](NC(=O)COCC(F)(F)F)c1nc(-c2ccc(F)cc2)no1 ZINC000359998870 476281591 /nfs/dbraw/zinc/28/15/91/476281591.db2.gz YCTKHYHSQXTXIR-MRVPVSSYSA-N 0 0 347.268 2.632 50 0 EFAARN Cc1nc2ccccc2n1CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000357464980 476398918 /nfs/dbraw/zinc/39/89/18/476398918.db2.gz DBTRLASYSFJVLC-AZUAARDMSA-N 0 0 335.407 2.509 50 0 EFAARN O=C(Cc1noc2ccccc12)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390826821 476800367 /nfs/dbraw/zinc/80/03/67/476800367.db2.gz CBIUZECYTJYNQT-AWEZNQCLSA-N 0 0 340.383 2.775 50 0 EFAARN Cc1nc2ccccn2c1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390826644 476800786 /nfs/dbraw/zinc/80/07/86/476800786.db2.gz AZJBVSOQXXDUGJ-HNNXBMFYSA-N 0 0 339.399 2.661 50 0 EFAARN O=C(NC[C@@](O)(c1ccoc1)c1ccco1)c1c(F)cccc1F ZINC000390826430 476800814 /nfs/dbraw/zinc/80/08/14/476800814.db2.gz KWEOGFDHFZSZMG-QGZVFWFLSA-N 0 0 333.290 2.817 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)cc1Cl ZINC000390830474 476802235 /nfs/dbraw/zinc/80/22/35/476802235.db2.gz LHOIINLSJIPXPH-CYBMUJFWSA-N 0 0 329.849 2.838 50 0 EFAARN O=C(NCCc1ccccc1)C(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390830389 476802299 /nfs/dbraw/zinc/80/22/99/476802299.db2.gz KTBBNVHGYRRXSH-UHFFFAOYSA-N 0 0 348.402 2.922 50 0 EFAARN Cn1cccc(C(=O)NCCc2ccc(-c3ccoc3)s2)c1=O ZINC000390832251 476803395 /nfs/dbraw/zinc/80/33/95/476803395.db2.gz YFFZTOQJLLGJKH-UHFFFAOYSA-N 0 0 328.393 2.679 50 0 EFAARN O=C(CCCC(=O)N1CC(OCC(F)(F)F)C1)c1ccccc1 ZINC000390830606 476803612 /nfs/dbraw/zinc/80/36/12/476803612.db2.gz MDSPNOKGVDCYPA-UHFFFAOYSA-N 0 0 329.318 2.829 50 0 EFAARN CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC3(F)F)CC2)cc1 ZINC000404838032 476923288 /nfs/dbraw/zinc/92/32/88/476923288.db2.gz NMBSHQLGKRZLKM-UHFFFAOYSA-N 0 0 329.368 2.699 50 0 EFAARN CSCC[C@H](C(=O)Nc1ccc2[nH]c(CO)nc2c1)n1cccc1 ZINC000409413089 476984773 /nfs/dbraw/zinc/98/47/73/476984773.db2.gz BSZINLOXUGRTNA-OAHLLOKOSA-N 0 0 344.440 2.790 50 0 EFAARN Cc1nc(N)nc(-c2ccc([C@H](C)N3CCOCC3)cc2)c1Cl ZINC000426395957 477706463 /nfs/dbraw/zinc/70/64/63/477706463.db2.gz NEKQYLOUPYKSIO-LBPRGKRZSA-N 0 0 332.835 3.081 50 0 EFAARN COC(=O)c1cc(-c2ccc(C(=O)NCC3CCOCC3)cc2)c[nH]1 ZINC000426412665 477706503 /nfs/dbraw/zinc/70/65/03/477706503.db2.gz FCPWQWYZKUWQCW-UHFFFAOYSA-N 0 0 342.395 2.625 50 0 EFAARN c1ccc(-c2ccnc(CCNc3cc([C@@H]4CCOC4)ncn3)n2)cc1 ZINC000426411295 477706533 /nfs/dbraw/zinc/70/65/33/477706533.db2.gz LLDBPDNOOKWWGI-MRXNPFEDSA-N 0 0 347.422 3.092 50 0 EFAARN CN(Cc1cccc2cccnc21)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426401726 477706936 /nfs/dbraw/zinc/70/69/36/477706936.db2.gz KNEDHFPZGNIPJH-OAHLLOKOSA-N 0 0 335.411 2.747 50 0 EFAARN Cc1nc(N)ccc1-c1ccc(C(=O)N(C)CC2(CO)CCC2)cc1 ZINC000426382902 477707301 /nfs/dbraw/zinc/70/73/01/477707301.db2.gz KCVZBHIAHBQUTI-UHFFFAOYSA-N 0 0 339.439 2.874 50 0 EFAARN Cc1nnc([C@@H]2CCCN2C(=O)c2c(C)nc3ccc(Cl)cn32)[nH]1 ZINC000426373563 477707569 /nfs/dbraw/zinc/70/75/69/477707569.db2.gz BZENBDQBZVKIPH-LBPRGKRZSA-N 0 0 344.806 2.700 50 0 EFAARN CSCCCNC(=O)c1cccc(-c2ccsc2C(N)=O)c1 ZINC000426420546 477708308 /nfs/dbraw/zinc/70/83/08/477708308.db2.gz HMONBUGGZFQLKU-UHFFFAOYSA-N 0 0 334.466 2.997 50 0 EFAARN COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)o1 ZINC000426420872 477709256 /nfs/dbraw/zinc/70/92/56/477709256.db2.gz ZVMVHNVEDQKMMT-URLQWDBASA-N 0 0 349.427 2.867 50 0 EFAARN CCc1n[nH]c2c1CN(C(=O)Nc1cc3c(cc1C)OCCO3)CC2 ZINC000426420530 477709410 /nfs/dbraw/zinc/70/94/10/477709410.db2.gz GECMCPSIXDDTLC-UHFFFAOYSA-N 0 0 342.399 2.642 50 0 EFAARN Cc1nn(CCNC(=O)c2ccc(-c3cccc(N)n3)cc2)c(C)c1C ZINC000426440270 477709801 /nfs/dbraw/zinc/70/98/01/477709801.db2.gz KHFZJXPZTPXWMU-UHFFFAOYSA-N 0 0 349.438 2.883 50 0 EFAARN Nc1ncnc2ccc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)cc12 ZINC000426473562 477711618 /nfs/dbraw/zinc/71/16/18/477711618.db2.gz LDZNSZXJDYLGCS-MRXNPFEDSA-N 0 0 348.406 2.788 50 0 EFAARN COCCN(Cc1ccncc1)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000426518460 477712524 /nfs/dbraw/zinc/71/25/24/477712524.db2.gz ZGQRKYDJERHTJT-CYBMUJFWSA-N 0 0 334.445 2.766 50 0 EFAARN NC(=O)C1(NC(=O)[C@@]2(c3ccccc3)CC23CCCC3)CCCC1 ZINC000426518008 477712595 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ZINC000584896100 479273717 /nfs/dbraw/zinc/27/37/17/479273717.db2.gz DCXYTCLLKWSEQO-CQSZACIVSA-N 0 0 345.443 2.695 50 0 EFAARN CC[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1nc(C)c[nH]1 ZINC000584893846 479274347 /nfs/dbraw/zinc/27/43/47/479274347.db2.gz ZXIISMLTEFUBBI-SNVBAGLBSA-N 0 0 328.401 2.513 50 0 EFAARN c1ccc(-c2noc(=N[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[n-]2)cc1 ZINC000584898636 479275256 /nfs/dbraw/zinc/27/52/56/479275256.db2.gz YBLTXCDWJNFWID-QGZVFWFLSA-N 0 0 335.411 2.630 50 0 EFAARN CCc1nccn1CCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000584898809 479275955 /nfs/dbraw/zinc/27/59/55/479275955.db2.gz XMSDNJOUFLNENV-HNNXBMFYSA-N 0 0 337.427 2.899 50 0 EFAARN Cc1ccccc1CC1(NC(=O)NC[C@H](O)c2cccc(O)c2)CC1 ZINC000584903846 479276395 /nfs/dbraw/zinc/27/63/95/479276395.db2.gz RQNCPGSZYLNPMN-SFHVURJKSA-N 0 0 340.423 2.809 50 0 EFAARN CCc1noc(CN(CC)C(=O)N[C@@H](C)c2ccc(O)c(F)c2)n1 ZINC000584900394 479276702 /nfs/dbraw/zinc/27/67/02/479276702.db2.gz VPYUUNLUNHTJPM-JTQLQIEISA-N 0 0 336.367 2.769 50 0 EFAARN Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3cnc4c(c3)CCC4)C2)n1 ZINC000584904011 479277165 /nfs/dbraw/zinc/27/71/65/479277165.db2.gz DBEIMIQPHFNBEF-QGZVFWFLSA-N 0 0 339.443 2.540 50 0 EFAARN CSCC[C@@H](NC(=O)c1csc(N)n1)c1nc2ccccc2[nH]1 ZINC000584900420 479277265 /nfs/dbraw/zinc/27/72/65/479277265.db2.gz BXWYDEHIUAZDKG-LLVKDONJSA-N 0 0 347.469 2.826 50 0 EFAARN Cc1n[nH]c(CCC(=O)N[C@@H](c2nccn2C)c2ccccc2)c1C ZINC000584900456 479277373 /nfs/dbraw/zinc/27/73/73/479277373.db2.gz CVQPRVZBCZMOBC-GOSISDBHSA-N 0 0 337.427 2.598 50 0 EFAARN COCCN(Cc1sccc1C)C(=O)NC[C@@H](C)n1ccnc1 ZINC000584904176 479277866 /nfs/dbraw/zinc/27/78/66/479277866.db2.gz ODVIGOZFJIDNFK-CQSZACIVSA-N 0 0 336.461 2.672 50 0 EFAARN CC(C)(C)c1n[nH]cc1C(=O)NCc1ccncc1Br ZINC000585134273 479295179 /nfs/dbraw/zinc/29/51/79/479295179.db2.gz KRECAVUINOCCJQ-UHFFFAOYSA-N 0 0 337.221 2.795 50 0 EFAARN O=C(c1nnc(Nc2ccc(OC(F)(F)F)cc2)o1)N1CCCC1 ZINC000585134316 479295552 /nfs/dbraw/zinc/29/55/52/479295552.db2.gz MVCNGNYBYUHMHA-UHFFFAOYSA-N 0 0 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2.709 50 0 EFAARN CCc1nc2ccc(C(=O)NCCOCCn3cccn3)cc2s1 ZINC000575620729 479458620 /nfs/dbraw/zinc/45/86/20/479458620.db2.gz UMWJJFADNPNZHB-UHFFFAOYSA-N 0 0 344.440 2.502 50 0 EFAARN Cn1cc([C@@H]2CN(C(=O)c3cncc(F)c3)Cc3ccccc32)cn1 ZINC000575619452 479458807 /nfs/dbraw/zinc/45/88/07/479458807.db2.gz MGEVSKDTXKUSPF-SFHVURJKSA-N 0 0 336.370 2.742 50 0 EFAARN C[C@@H](Oc1ccccc1F)C(=O)NCc1nccnc1-c1ccoc1 ZINC000575620021 479458944 /nfs/dbraw/zinc/45/89/44/479458944.db2.gz IPYIHHWTGRGPFP-GFCCVEGCSA-N 0 0 341.342 2.959 50 0 EFAARN Cn1cc([C@@H]2CN(C(=O)Cc3cccnc3)Cc3ccccc32)cn1 ZINC000575621254 479458979 /nfs/dbraw/zinc/45/89/79/479458979.db2.gz ZHYRAPAATFIPJV-IBGZPJMESA-N 0 0 332.407 2.532 50 0 EFAARN COc1ccc([C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C(C)C)cc1 ZINC000604405248 479514612 /nfs/dbraw/zinc/51/46/12/479514612.db2.gz ONDMDDZHOQBUFJ-QGZVFWFLSA-N 0 0 330.384 2.519 50 0 biogenic EFAARN Cn1c2ccc(NC(=O)CCCCCn3cccc3)cc2n(C)c1=O ZINC000604418949 479517111 /nfs/dbraw/zinc/51/71/11/479517111.db2.gz 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O=C(NCC[C@@H]1CCCCO1)N1CCN(CCc2ccccc2)CC1 ZINC000181812883 526380664 /nfs/dbraw/zinc/38/06/64/526380664.db2.gz JCGRAGHUUDDMHV-IBGZPJMESA-N 0 0 345.487 2.516 50 0 EFAARN Cc1nnnn1-c1cccc(NC(=O)[C@H](C)n2cnc3ccccc32)c1 ZINC000171435564 526435019 /nfs/dbraw/zinc/43/50/19/526435019.db2.gz QIADZZWAQJSGEU-LBPRGKRZSA-N 0 0 347.382 2.520 50 0 EFAARN Cc1noc(C)c1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 ZINC000238881333 526469018 /nfs/dbraw/zinc/46/90/18/526469018.db2.gz PIFXHDXKWUCCKD-CQSZACIVSA-N 0 0 338.367 2.971 50 0 EFAARN O=C(COC(=O)Cc1ccsc1)NCCc1ccc(Cl)cc1 ZINC000003472595 526909236 /nfs/dbraw/zinc/90/92/36/526909236.db2.gz XOKDLUBFKIYFQU-UHFFFAOYSA-N 0 0 337.828 2.846 50 0 EFAARN Cn1c(CCNC(=O)Nc2ccc(C3CCCCC3)cc2)n[nH]c1=O ZINC000299784018 527049211 /nfs/dbraw/zinc/04/92/11/527049211.db2.gz NXXXSMLJBUIWKO-UHFFFAOYSA-N 0 0 343.431 2.520 50 0 EFAARN Cn1ccc2cc([C@H](O)CNC(=O)c3noc4c3CCCC4)ccc21 ZINC000244998633 527373956 /nfs/dbraw/zinc/37/39/56/527373956.db2.gz KNFBOSBVTGSAQU-MRXNPFEDSA-N 0 0 339.395 2.509 50 0 EFAARN O=C(Cn1ccnc1-c1ccccc1)NCCCn1nccc1C1CC1 ZINC000095511107 527394456 /nfs/dbraw/zinc/39/44/56/527394456.db2.gz SMOJIPNVQFGXQV-UHFFFAOYSA-N 0 0 349.438 2.831 50 0 EFAARN O=C(Nc1nc2c(s1)COCC2)c1c[nH]nc1-c1ccc(F)cc1 ZINC000076019753 527512062 /nfs/dbraw/zinc/51/20/62/527512062.db2.gz YLHVQNUQLAUCIA-UHFFFAOYSA-N 0 0 344.371 2.997 50 0 EFAARN O=C(/C=C/c1ccco1)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000253471405 527640742 /nfs/dbraw/zinc/64/07/42/527640742.db2.gz CDQIUSOQVDYWMY-RTRPANQVSA-N 0 0 329.377 3.000 50 0 EFAARN CC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)NC1CCCCC1 ZINC000169765519 527780928 /nfs/dbraw/zinc/78/09/28/527780928.db2.gz LEGHGRRQSAKMBM-UHFFFAOYSA-N 0 0 327.428 2.503 50 0 EFAARN CC1(C)C[C@]1(C(=O)NCC1=CSC2=NCCN12)c1ccccc1F ZINC000215247843 534941403 /nfs/dbraw/zinc/94/14/03/534941403.db2.gz PZFFZPPYARPZLE-GOSISDBHSA-N 0 0 345.443 2.869 50 0 EFAARN COc1ccc(Cl)cc1C(=O)NCc1nc(-c2cc(C)on2)no1 ZINC000225812074 536547045 /nfs/dbraw/zinc/54/70/45/536547045.db2.gz MDINZQZFNYTWGJ-UHFFFAOYSA-N 0 0 348.746 2.625 50 0 EFAARN CCCCNC(=O)CN(C)C(=O)c1ccc(-c2ccncc2F)cc1 ZINC000426504644 535280184 /nfs/dbraw/zinc/28/01/84/535280184.db2.gz UFFKHLAPUVAXGG-UHFFFAOYSA-N 0 0 343.402 2.876 50 0 EFAARN CC1(C)C[C@@H](C(=O)NCc2nc(-c3ccc(F)cc3)no2)CCO1 ZINC000244742138 535363061 /nfs/dbraw/zinc/36/30/61/535363061.db2.gz OCKFHKDKSAGQJI-LBPRGKRZSA-N 0 0 333.363 2.697 50 0 EFAARN CCCc1cc(CN(C)C(=O)Cc2c(C)nc3ccccn32)[nH]n1 ZINC000426513719 535397028 /nfs/dbraw/zinc/39/70/28/535397028.db2.gz QKNDYHSDRADNLO-UHFFFAOYSA-N 0 0 325.416 2.519 50 0 EFAARN CCCc1ncncc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000215349583 535549321 /nfs/dbraw/zinc/54/93/21/535549321.db2.gz QEBWQLNBFQRSCZ-LBPRGKRZSA-N 0 0 329.400 2.937 50 0 EFAARN CCCc1nnc(NC(=O)CN2CCC[C@H]2c2cc(C)no2)s1 ZINC000244723465 535550183 /nfs/dbraw/zinc/55/01/83/535550183.db2.gz MBYQYKPXUNLRHZ-NSHDSACASA-N 0 0 335.433 2.563 50 0 EFAARN CCC[C@H]1C=CCN1C(=O)c1ccc(-c2ncc(F)c(NC)n2)cc1 ZINC000426370773 535723834 /nfs/dbraw/zinc/72/38/34/535723834.db2.gz QNKWGMYKFKRORL-HNNXBMFYSA-N 0 0 340.402 2.927 50 0 EFAARN CCOc1ccc(NC(=O)c2cnc(N3CCCCC3)nc2N)cc1 ZINC000067336484 535749012 /nfs/dbraw/zinc/74/90/12/535749012.db2.gz FVCDMVJGWRVOLL-UHFFFAOYSA-N 0 0 341.415 2.700 50 0 EFAARN CCn1ncnc1[C@H](C)NC(=O)c1ccc2cccc(Cl)c2n1 ZINC000426478859 535909916 /nfs/dbraw/zinc/90/99/16/535909916.db2.gz HOXKVYXXTVCCOE-JTQLQIEISA-N 0 0 329.791 2.991 50 0 EFAARN CC[C@H](C)[C@H](CO)NC(=O)c1ccc(OC)c(-n2nc(C)cc2C)c1 ZINC000230211605 535950351 /nfs/dbraw/zinc/95/03/51/535950351.db2.gz FKOQFVNUAXYYQD-LRDDRELGSA-N 0 0 345.443 2.635 50 0 EFAARN CCc1ccccc1OCCN(CC)C(=O)NCc1cnc(C)cn1 ZINC000426503238 535970969 /nfs/dbraw/zinc/97/09/69/535970969.db2.gz HEVIHYLFSKJYNE-UHFFFAOYSA-N 0 0 342.443 2.958 50 0 EFAARN CN1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1CCO ZINC000220241939 536407472 /nfs/dbraw/zinc/40/74/72/536407472.db2.gz RYCJIFJOPVGXJE-IBGZPJMESA-N 0 0 342.414 2.631 50 0 EFAARN COC(=O)c1ccc(C(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 ZINC000207987682 536620343 /nfs/dbraw/zinc/62/03/43/536620343.db2.gz BJVSQPZUCHFPDW-SFHVURJKSA-N 0 0 338.407 2.872 50 0 EFAARN COCc1ccc(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)s1 ZINC000215434197 536744539 /nfs/dbraw/zinc/74/45/39/536744539.db2.gz AMLFRUJOEIATSY-UHFFFAOYSA-N 0 0 346.452 2.722 50 0 EFAARN COc1ccc(CN(C)C(=O)[C@@H](C)n2ccnc2C)c2cccnc12 ZINC000426727551 536852424 /nfs/dbraw/zinc/85/24/24/536852424.db2.gz VXKGEUQDOVRWHN-CYBMUJFWSA-N 0 0 338.411 2.968 50 0 EFAARN COc1ccc([C@@H](NC(=O)c2ccoc2C)[C@H]2C[C@@H](O)C2)cc1F ZINC000244678504 536888892 /nfs/dbraw/zinc/88/88/92/536888892.db2.gz IEUIJNYSHPXOPL-IIYDPXPESA-N 0 0 333.359 2.978 50 0 EFAARN COc1ccc([C@H](NC(=O)CCSC)[C@H]2C[C@@H](O)C2)cc1F ZINC000243893241 536922360 /nfs/dbraw/zinc/92/23/60/536922360.db2.gz APRFJDUMUHCGTK-OZVIIMIRSA-N 0 0 327.421 2.516 50 0 EFAARN COc1ccccc1-c1ncc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)s1 ZINC000217119031 536972028 /nfs/dbraw/zinc/97/20/28/536972028.db2.gz YTQSLDKTMYFXKJ-NHAGDIPZSA-N 0 0 330.409 2.581 50 0 EFAARN COc1ccc2c(c1)c(C(=O)NCCn1nc(C)cc1C)c(C)n2C ZINC000426403526 537015607 /nfs/dbraw/zinc/01/56/07/537015607.db2.gz OICJLPRYRXEIET-UHFFFAOYSA-N 0 0 340.427 2.739 50 0 EFAARN COc1ccc2c(ccn2CCNC(=O)c2c(C)cc(C)[nH]c2=O)c1 ZINC000252485414 537028856 /nfs/dbraw/zinc/02/88/56/537028856.db2.gz GULAOHLTRXWFJX-UHFFFAOYSA-N 0 0 339.395 2.797 50 0 biogenic EFAARN COc1ccc2c(cc(C(=O)N3CCC(c4ncon4)CC3)n2C)c1 ZINC000426410713 537028988 /nfs/dbraw/zinc/02/89/88/537028988.db2.gz NXOKTEOREFEQCV-UHFFFAOYSA-N 0 0 340.383 2.590 50 0 EFAARN COc1ccccc1C[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1 ZINC000243932244 537052160 /nfs/dbraw/zinc/05/21/60/537052160.db2.gz BTPAZLIUAFXTIH-OAHLLOKOSA-N 0 0 327.428 2.900 50 0 EFAARN COc1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000000355450 537089722 /nfs/dbraw/zinc/08/97/22/537089722.db2.gz QWDIILDSSQGAFC-UHFFFAOYSA-N 0 0 344.386 2.562 50 0 EFAARN O=C(NC1CCCCC1)c1ccc(-n2nnc3ccccc3c2=O)cc1 ZINC000197492069 545554100 /nfs/dbraw/zinc/55/41/00/545554100.db2.gz IXONKMCXQVCXHT-UHFFFAOYSA-N 0 0 348.406 2.843 50 0 EFAARN O=C(c1cncc(F)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000352191271 546047789 /nfs/dbraw/zinc/04/77/89/546047789.db2.gz FSFGNMLCFDPRFW-UHFFFAOYSA-N 0 0 332.400 2.986 50 0 EFAARN O=C(CN1C=NS(=O)(=O)c2ccccc21)c1ccc2c(c1)CCC2 ZINC000392225354 546166259 /nfs/dbraw/zinc/16/62/59/546166259.db2.gz LHPKHCHHVNOCHG-UHFFFAOYSA-N 0 0 340.404 2.595 50 0 EFAARN O=S(=O)(NC[C@@H]1COc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000618257231 546405379 /nfs/dbraw/zinc/40/53/79/546405379.db2.gz SKTBMRGYLQNHGE-SNVBAGLBSA-N 0 0 341.791 2.934 50 0 EFAARN O=C(N[C@H]1CCCc2c3ccccc3[nH]c21)c1ccc2n[nH]c(=O)n2c1 ZINC000670416497 547486511 /nfs/dbraw/zinc/48/65/11/547486511.db2.gz KSFVBKHUJHBQDB-HNNXBMFYSA-N 0 0 347.378 2.724 50 0 EFAARN O=C(CNC(=O)c1cc(Cl)ccc1Cl)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000670437092 547489025 /nfs/dbraw/zinc/48/90/25/547489025.db2.gz TWJFXHRGOWLUCO-PHIMTYICSA-N 0 0 341.238 2.982 50 0 EFAARN COCCc1nc(Cc2ccc(OC)c(OC)c2)n(C(C)(C)C)n1 ZINC000670438319 547489036 /nfs/dbraw/zinc/48/90/36/547489036.db2.gz MMNRAAKBFJHTGP-UHFFFAOYSA-N 0 0 333.432 2.830 50 0 EFAARN CCCCn1nc(Cc2ccccc2OC)nc1[C@@H]1CCC(=O)N1 ZINC000670440582 547489142 /nfs/dbraw/zinc/48/91/42/547489142.db2.gz NGLOTOVYMNPLDQ-AWEZNQCLSA-N 0 0 328.416 2.629 50 0 EFAARN CC(C)C(=O)N1CCC[C@@H](n2cnc3cccc(Cl)c3c2=O)C1 ZINC000670437737 547489267 /nfs/dbraw/zinc/48/92/67/547489267.db2.gz NROUAQQDHWTXHB-GFCCVEGCSA-N 0 0 333.819 2.869 50 0 EFAARN CC[C@@H](NC(=O)N(CC)CCOc1ccc(C)cc1C)C(=O)N(C)C ZINC000670439384 547489443 /nfs/dbraw/zinc/48/94/43/547489443.db2.gz SRLUAXLGCHUCTR-MRXNPFEDSA-N 0 0 349.475 2.581 50 0 EFAARN O=C(NCc1ccccc1-n1ccnc1)c1cc(-c2ccccn2)n[nH]1 ZINC000670437265 547489481 /nfs/dbraw/zinc/48/94/81/547489481.db2.gz VBANJQQEKQOCSV-UHFFFAOYSA-N 0 0 344.378 2.587 50 0 EFAARN CC(C)[C@@H](CNC(=O)c1cc(=O)c2cccc(F)c2[n-]1)[NH+]1CCCC1 ZINC000670441789 547490218 /nfs/dbraw/zinc/49/02/18/547490218.db2.gz XEYVVTZKKZANMJ-MRXNPFEDSA-N 0 0 345.418 2.930 50 0 EFAARN CCc1csc(CNC(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000670442994 547490229 /nfs/dbraw/zinc/49/02/29/547490229.db2.gz ONQVJRBLNWOYAR-UHFFFAOYSA-N 0 0 326.425 2.880 50 0 EFAARN Cc1nnc([C@@H](C)NC(=O)Cc2c(C)[nH]c3c2c(C)ccc3C)[nH]1 ZINC000670443397 547490590 /nfs/dbraw/zinc/49/05/90/547490590.db2.gz BKLCTXJOAYIVBV-GFCCVEGCSA-N 0 0 325.416 2.940 50 0 EFAARN CSc1ncc(CNC(=O)c2cc3sc(N)nc3c(C)c2)n1C ZINC000670441945 547490679 /nfs/dbraw/zinc/49/06/79/547490679.db2.gz FXSUITVVSSZZQR-UHFFFAOYSA-N 0 0 347.469 2.572 50 0 EFAARN O=C(NCc1nncn1CCc1ccccc1)[C@H]1CCc2ccccc21 ZINC000670451734 547491285 /nfs/dbraw/zinc/49/12/85/547491285.db2.gz VLWZAAXZZPRFSP-IBGZPJMESA-N 0 0 346.434 2.867 50 0 EFAARN CN(Cc1ccccc1)S(=O)(=O)NCCCc1ccccc1F ZINC000670446956 547491686 /nfs/dbraw/zinc/49/16/86/547491686.db2.gz SFAKCDZPRMLCRK-UHFFFAOYSA-N 0 0 336.432 2.725 50 0 EFAARN COc1ccc(Cn2nc(-c3ccccc3)nc2[C@@H]2CCC(=O)N2)cc1 ZINC000670448922 547491730 /nfs/dbraw/zinc/49/17/30/547491730.db2.gz NDJQVMLKQBBDGN-KRWDZBQOSA-N 0 0 348.406 2.953 50 0 EFAARN CCCc1nc(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)no1 ZINC000670446941 547491908 /nfs/dbraw/zinc/49/19/08/547491908.db2.gz BKWGOLJXDICPAY-UHFFFAOYSA-N 0 0 342.443 2.897 50 0 EFAARN CN1C[C@H](CNC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1=O ZINC000670455591 547492228 /nfs/dbraw/zinc/49/22/28/547492228.db2.gz YFBIIKPJWHZOIM-INIZCTEOSA-N 0 0 330.472 2.901 50 0 EFAARN Cc1cc(C)n(CCCNS(=O)(=O)c2cc(C)sc2C)n1 ZINC000670451858 547492244 /nfs/dbraw/zinc/49/22/44/547492244.db2.gz QCAFCTLMUBWSPJ-UHFFFAOYSA-N 0 0 327.475 2.547 50 0 EFAARN CC[C@@H](NS(=O)(=O)c1c(C)n[nH]c1C)c1nc(C)c(C)s1 ZINC000670452033 547492655 /nfs/dbraw/zinc/49/26/55/547492655.db2.gz SZHAHOMFNCOVLD-LLVKDONJSA-N 0 0 328.463 2.529 50 0 EFAARN COc1ccc2c(c1)c(C(=O)N1CCc3nocc3C1)c(C)n2C ZINC000670455841 547493619 /nfs/dbraw/zinc/49/36/19/547493619.db2.gz OXBQLUZSNIKEFT-UHFFFAOYSA-N 0 0 325.368 2.682 50 0 EFAARN C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccncc2)no1 ZINC000670460764 547493736 /nfs/dbraw/zinc/49/37/36/547493736.db2.gz AOCPWUSWHFUTCM-NSHDSACASA-N 0 0 336.351 2.558 50 0 EFAARN COc1ccccc1Cc1nc(C2CCOCC2)n(CC(C)(C)O)n1 ZINC000670462550 547494313 /nfs/dbraw/zinc/49/43/13/547494313.db2.gz XVGOXPZZTHQMMY-UHFFFAOYSA-N 0 0 345.443 2.542 50 0 EFAARN CC(C)(O)Cn1nc(Cc2cccc(Cl)c2)nc1CN1CCCC1 ZINC000670464608 547494441 /nfs/dbraw/zinc/49/44/41/547494441.db2.gz MBACWWJYQDOQCS-UHFFFAOYSA-N 0 0 348.878 2.889 50 0 EFAARN CC(C)C/C=C(\CN1CCO[C@@H](C(=O)N(C)C)C1)c1ccccc1 ZINC000670468124 547494999 /nfs/dbraw/zinc/49/49/99/547494999.db2.gz KOVORNLHYXYECU-WAGPWIPHSA-N 0 0 330.472 2.905 50 0 EFAARN Nc1ccc(O)cc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000670468755 547495490 /nfs/dbraw/zinc/49/54/90/547495490.db2.gz SQQJIJLDFVRLMV-CQSZACIVSA-N 0 0 343.402 2.508 50 0 EFAARN C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1nnc(N)s1 ZINC000670474215 547496107 /nfs/dbraw/zinc/49/61/07/547496107.db2.gz PETAUTVVBZVAHR-NSHDSACASA-N 0 0 331.445 2.602 50 0 EFAARN CC(C)c1csc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000670473387 547496143 /nfs/dbraw/zinc/49/61/43/547496143.db2.gz LYSYRLVJYFZHQD-LBPRGKRZSA-N 0 0 347.440 2.894 50 0 EFAARN CCn1nc(Cc2cccc(Cl)c2)nc1[C@H](C)N1CCOCC1 ZINC000670473268 547496346 /nfs/dbraw/zinc/49/63/46/547496346.db2.gz NFTWZZUTTNBJKG-ZDUSSCGKSA-N 0 0 334.851 2.935 50 0 EFAARN C[C@H](NC(=O)c1cccc2c1CCC2=O)c1nc(-c2cccnc2)no1 ZINC000670473786 547496594 /nfs/dbraw/zinc/49/65/94/547496594.db2.gz ZGGXYYZZQPJHLI-NSHDSACASA-N 0 0 348.362 2.752 50 0 EFAARN CC[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)c1nc2ccccc2[nH]1 ZINC000684900532 550110433 /nfs/dbraw/zinc/11/04/33/550110433.db2.gz FJIDYXCNBVLLTA-GXTWGEPZSA-N 0 0 337.427 2.669 50 0 EFAARN Cc1cnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)nc1C ZINC000685940642 550196724 /nfs/dbraw/zinc/19/67/24/550196724.db2.gz QKGGPXJCHPUWGJ-KSSFIOAISA-N 0 0 325.416 2.912 50 0 EFAARN C[C@](O)(c1nc(-c2cn3ccc(Br)cc3n2)no1)C1CC1 ZINC000685940030 550196750 /nfs/dbraw/zinc/19/67/50/550196750.db2.gz VWKCRJQMLJWGGN-CQSZACIVSA-N 0 0 349.188 2.764 50 0 EFAARN CN(C)C(=O)Nc1cccc(C(=O)OCC2(Br)CC2)c1 ZINC000685940708 550196978 /nfs/dbraw/zinc/19/69/78/550196978.db2.gz RPTUACNDETYNMN-UHFFFAOYSA-N 0 0 341.205 2.864 50 0 EFAARN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cnc(C2CC2)o1 ZINC000685940591 550197068 /nfs/dbraw/zinc/19/70/68/550197068.db2.gz OZIQSLNJTKKATO-OAHLLOKOSA-N 0 0 343.431 2.704 50 0 EFAARN Cc1cc(CO)cc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1 ZINC000685940375 550197103 /nfs/dbraw/zinc/19/71/03/550197103.db2.gz HYTKMMJXMMRESY-KXBFYZLASA-N 0 0 340.427 2.701 50 0 EFAARN CC(C)(C)[S@](C)(=O)=NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000685945025 550197344 /nfs/dbraw/zinc/19/73/44/550197344.db2.gz OZSDAZVIAZFZBB-PSVOKBTDSA-N 0 0 337.441 2.984 50 0 EFAARN O[C@H](COCc1ccccc1)Cc1nc(COc2ccccc2)no1 ZINC000685943486 550197357 /nfs/dbraw/zinc/19/73/57/550197357.db2.gz RMZAKELMAKLJFA-INIZCTEOSA-N 0 0 340.379 2.769 50 0 EFAARN CCOc1cc(F)ccc1NC(=O)NC1CC(O)(C(F)(F)F)C1 ZINC000685944933 550197397 /nfs/dbraw/zinc/19/73/97/550197397.db2.gz JMQNCBXGRGBGIG-UHFFFAOYSA-N 0 0 336.285 2.802 50 0 EFAARN Cc1noc([C@]23CCC[C@H]2CN(Cc2nn(C)c(C)c2Cl)C3)n1 ZINC000685940835 550197629 /nfs/dbraw/zinc/19/76/29/550197629.db2.gz JJYUFSIHTUOUKP-LRDDRELGSA-N 0 0 335.839 2.627 50 0 EFAARN O=C(c1ccc2[nH]cnc2c1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000206769689 564015018 /nfs/dbraw/zinc/01/50/18/564015018.db2.gz PKSZYLYWNOULEW-UHFFFAOYSA-N 0 0 347.374 2.865 50 0 EFAARN Cc1noc(C)c1CN1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000169751110 564099960 /nfs/dbraw/zinc/09/99/60/564099960.db2.gz KYRUGJPDQZPYNH-UHFFFAOYSA-N 0 0 335.354 2.528 50 0 EFAARN O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000170188395 564105618 /nfs/dbraw/zinc/10/56/18/564105618.db2.gz CFROAKBVRVIZKB-AWEZNQCLSA-N 0 0 333.771 2.575 50 0 EFAARN CC(C)C(=O)N1CCC[C@H](NC(=O)N(C)C/C=C/c2ccccc2)C1 ZINC000584884071 564131394 /nfs/dbraw/zinc/13/13/94/564131394.db2.gz CYFKSYYGGNZSMR-DBEXCURXSA-N 0 0 343.471 2.988 50 0 EFAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(Cn2cccn2)o1 ZINC000584884122 564131407 /nfs/dbraw/zinc/13/14/07/564131407.db2.gz HEKJCDPNJGJJEN-INIZCTEOSA-N 0 0 337.379 2.600 50 0 EFAARN CC(C)Cn1cncc1Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000584884628 564131448 /nfs/dbraw/zinc/13/14/48/564131448.db2.gz FJQHJLXYFXHQQG-UHFFFAOYSA-N 0 0 328.441 2.848 50 0 EFAARN COc1cccc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)c1OC ZINC000390825778 564138385 /nfs/dbraw/zinc/13/83/85/564138385.db2.gz AWFRPCVSUGOUBO-AWEZNQCLSA-N 0 0 343.383 2.784 50 0 EFAARN Cc1cc(CCCNS(=O)(=O)c2ccc(F)c(Cl)c2)on1 ZINC000390825906 564138426 /nfs/dbraw/zinc/13/84/26/564138426.db2.gz OTSYCXUDGNUCJC-UHFFFAOYSA-N 0 0 332.784 2.687 50 0 EFAARN O=C(NCCC1=CCCCC1)c1cn(C[C@@H](O)c2ccsc2)nn1 ZINC000225582549 564149787 /nfs/dbraw/zinc/14/97/87/564149787.db2.gz CFKCQXLATRAKCL-MRXNPFEDSA-N 0 0 346.456 2.694 50 0 EFAARN Cc1cc2n(CCNC(=O)CCc3cccc(Cl)c3)ccn2n1 ZINC000225579315 568423034 /nfs/dbraw/zinc/42/30/34/568423034.db2.gz ZRCKLOHXLUZKCS-UHFFFAOYSA-N 0 0 330.819 2.847 50 0 EFAARN Cn1cc([C@H]2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)C2)cn1 ZINC000773116806 581398034 /nfs/dbraw/zinc/39/80/34/581398034.db2.gz NQPHETUXFXNZBB-ZKKXHLJNSA-N 0 0 339.395 2.568 50 0 EFAARN C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1cc2cccc(Cl)c2n1C ZINC001772703986 1249288070 /nfs/dbraw/zinc/28/80/70/1249288070.db2.gz FQBWPUFODJBBIO-DGCLKSJQSA-N 0 0 345.830 2.667 50 0 EFAARN CNCc1nnc(NC2CCN(Cc3ccccc3Cl)CC2)o1 ZINC001772704411 1249290382 /nfs/dbraw/zinc/29/03/82/1249290382.db2.gz GAGAZVXAOUGQRK-UHFFFAOYSA-N 0 0 335.839 2.519 50 0 EFAARN Cc1c(C[N@@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)oc2ccc(C)cc12 ZINC001772706838 1249291798 /nfs/dbraw/zinc/29/17/98/1249291798.db2.gz HBIWTFWWVLTPMY-KUHUBIRLSA-N 0 0 329.396 2.973 50 0 EFAARN CCc1ccc2nc(N3C[C@@H]4COCC[C@]4(CO)C3)cc(C)c2c1 ZINC001772707078 1249292982 /nfs/dbraw/zinc/29/29/82/1249292982.db2.gz QXVOQSMIJSOVID-OXQOHEQNSA-N 0 0 326.440 2.941 50 0 EFAARN Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H]2CCCN2C(=O)[C@@H]1C ZINC001772706993 1249293359 /nfs/dbraw/zinc/29/33/59/1249293359.db2.gz XJDXUUJCARGMST-JKSUJKDBSA-N 0 0 343.471 2.752 50 0 EFAARN Cn1ccc(C2CCN(C(=O)Cc3ccc(F)cc3F)CC2)cc1=O ZINC001772708125 1249294809 /nfs/dbraw/zinc/29/48/09/1249294809.db2.gz BSPMJFUYCBAFAG-UHFFFAOYSA-N 0 0 346.377 2.612 50 0 EFAARN CC(C)CCn1c2ccccc2nc1CN1CCC([C@@H](O)CO)CC1 ZINC001772707773 1249295690 /nfs/dbraw/zinc/29/56/90/1249295690.db2.gz YNTIBVUTBGRIOJ-IBGZPJMESA-N 0 0 345.487 2.648 50 0 EFAARN Cc1ccc(-c2cccc(C(=O)N3C[C@@H]4COCC[C@]4(CO)C3)c2)o1 ZINC001772710531 1249297475 /nfs/dbraw/zinc/29/74/75/1249297475.db2.gz BGULDNKUZHEEAV-YLJYHZDGSA-N 0 0 341.407 2.726 50 0 EFAARN Cc1cc(C)c2[nH]c(=O)c(CN3C[C@H]4CCCN4C(=O)[C@H]3C)cc2c1 ZINC001772710438 1249297595 /nfs/dbraw/zinc/29/75/95/1249297595.db2.gz ALZOJZWWZAPXGB-RHSMWYFYSA-N 0 0 339.439 2.752 50 0 EFAARN O=C(c1cc2ccccc2cn1)N1CCCN(C(=O)C2CC=CC2)CC1 ZINC001772710858 1249298833 /nfs/dbraw/zinc/29/88/33/1249298833.db2.gz TZWUHSWGJHLSRZ-UHFFFAOYSA-N 0 0 349.434 2.876 50 0 EFAARN CN(C)Cc1nc(C(=O)Nc2cccc(-n3cccn3)c2)cs1 ZINC000823719844 1265419538 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/nfs/dbraw/zinc/04/26/92/219042692.db2.gz KAGOUYNFIYDSOF-HNNXBMFYSA-N 0 0 339.399 2.630 50 0 EFAARN CN(C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1 ZINC000051319588 214088549 /nfs/dbraw/zinc/08/85/49/214088549.db2.gz CKOGSRXOHLGXOS-UHFFFAOYSA-N 0 0 337.354 2.712 50 0 EFAARN COc1ccc([C@H](C)NC(=O)c2n[nH]c3c2CCCC3)cc1OC ZINC000051319478 214088739 /nfs/dbraw/zinc/08/87/39/214088739.db2.gz TVWVYNLYMBYAGD-NSHDSACASA-N 0 0 329.400 2.797 50 0 EFAARN COc1ccc([C@H](C)NC(=O)COC(=O)c2cccc(OC)c2)cc1 ZINC000051356707 214091399 /nfs/dbraw/zinc/09/13/99/214091399.db2.gz ZLZJLDXWJWALNR-ZDUSSCGKSA-N 0 0 343.379 2.738 50 0 EFAARN COC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)c1 ZINC000051356964 214090886 /nfs/dbraw/zinc/09/08/86/214090886.db2.gz YZBMSOGDXQBXOZ-UHFFFAOYSA-N 0 0 341.363 2.886 50 0 EFAARN CCc1ccc(NC(=O)COC(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000051541570 214096580 /nfs/dbraw/zinc/09/65/80/214096580.db2.gz RSBKRNOADGEVDZ-UHFFFAOYSA-N 0 0 341.363 2.831 50 0 EFAARN COC(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(C)c2C)c1 ZINC000051356960 214091431 /nfs/dbraw/zinc/09/14/31/214091431.db2.gz YHVOFRDSFTYLIR-UHFFFAOYSA-N 0 0 341.363 2.886 50 0 EFAARN O=C(NCCCSC1CCCCC1)[C@@H]1Cc2ccccc2C(=O)N1 ZINC000097636589 219043635 /nfs/dbraw/zinc/04/36/35/219043635.db2.gz ABUMAYSPLJKCAZ-KRWDZBQOSA-N 0 0 346.496 2.913 50 0 EFAARN O=C(Cc1cccs1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000004731657 210263051 /nfs/dbraw/zinc/26/30/51/210263051.db2.gz LUWGKEWEQXRCLA-CYBMUJFWSA-N 0 0 344.436 2.838 50 0 EFAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000004731612 210262790 /nfs/dbraw/zinc/26/27/90/210262790.db2.gz RSEWFCHTXDFZFR-GFCCVEGCSA-N 0 0 330.384 2.535 50 0 EFAARN O=C(c1cncc(-c2ccc3c(c2)OCCO3)n1)N1CCCCC1 ZINC000097654146 219044116 /nfs/dbraw/zinc/04/41/16/219044116.db2.gz LERJNDFWASUTFP-UHFFFAOYSA-N 0 0 325.368 2.541 50 0 EFAARN CCc1cc(Cl)ccc1NC(=O)NCCNc1nc(C)cc(=O)[nH]1 ZINC000097660320 219045876 /nfs/dbraw/zinc/04/58/76/219045876.db2.gz VDHKZGRPLHSIKO-UHFFFAOYSA-N 0 0 349.822 2.528 50 0 EFAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000004715744 210258266 /nfs/dbraw/zinc/25/82/66/210258266.db2.gz GTWDXELZMPSTPV-UHFFFAOYSA-N 0 0 325.368 2.776 50 0 EFAARN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000053495079 214186256 /nfs/dbraw/zinc/18/62/56/214186256.db2.gz WUDAATVISCHTDI-GDBMZVCRSA-N 0 0 332.419 2.936 50 0 EFAARN O=C(CCCc1cn[nH]c1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000097681881 219048015 /nfs/dbraw/zinc/04/80/15/219048015.db2.gz BKOJZLYHGWIKOF-QGZVFWFLSA-N 0 0 333.457 2.766 50 0 EFAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O ZINC000004704831 210255270 /nfs/dbraw/zinc/25/52/70/210255270.db2.gz RFQTYTIUWJSSJY-PEHNMLCRSA-N 0 0 335.381 2.683 50 0 EFAARN COCCNC(=O)c1ccc(NC(=O)N2CC=C[C@@H]2C(C)C)c(C)c1 ZINC000097698919 219049667 /nfs/dbraw/zinc/04/96/67/219049667.db2.gz IAYGZZIVHGOVRY-QGZVFWFLSA-N 0 0 345.443 2.800 50 0 EFAARN Cc1cc(C(=O)NCc2nnc3n2CCCC3)c2ccc(F)cc2n1 ZINC000053903797 214204234 /nfs/dbraw/zinc/20/42/34/214204234.db2.gz HKJALWRFLXOIRB-UHFFFAOYSA-N 0 0 339.374 2.540 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3n2C)n1 ZINC000004709656 210254896 /nfs/dbraw/zinc/25/48/96/210254896.db2.gz DBWSPCBBVQLDJU-UHFFFAOYSA-N 0 0 343.408 2.993 50 0 EFAARN CCCOc1ccc(S(=O)(=O)N[C@H](CC)CO)c2ccccc12 ZINC000054363631 214233863 /nfs/dbraw/zinc/23/38/63/214233863.db2.gz QKHXZMYAHAZEKP-CYBMUJFWSA-N 0 0 337.441 2.678 50 0 EFAARN Cc1cc(Br)c(S(=O)(=O)n2ccnc2)cc1Cl ZINC000054363140 214234646 /nfs/dbraw/zinc/23/46/46/214234646.db2.gz OEHUDFKGUYLBSI-UHFFFAOYSA-N 0 0 335.610 2.844 50 0 EFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc2ccccc21 ZINC000004702675 210253686 /nfs/dbraw/zinc/25/36/86/210253686.db2.gz FMTRVLFWKXAYCM-KRWDZBQOSA-N 0 0 336.391 2.542 50 0 EFAARN CCNC(=O)C[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1CCC(C)C ZINC000004699932 210252370 /nfs/dbraw/zinc/25/23/70/210252370.db2.gz YTAWWRJKMFOBCY-MRXNPFEDSA-N 0 0 345.443 2.705 50 0 EFAARN Cc1ccc(NC(=O)COCC(=O)N2CCc3ccccc3C2)cc1 ZINC000004700585 210252073 /nfs/dbraw/zinc/25/20/73/210252073.db2.gz QUJDMJBLVWCCFF-UHFFFAOYSA-N 0 0 338.407 2.535 50 0 EFAARN O=C(c1ccc2n[nH]nc2c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000054748178 214253900 /nfs/dbraw/zinc/25/39/00/214253900.db2.gz IBWXRPZPJHVZBK-ZDUSSCGKSA-N 0 0 346.394 2.854 50 0 EFAARN CCCc1nc(CN(CC)C(=O)[C@@H](N)c2ccccc2Cl)no1 ZINC000055036805 214267206 /nfs/dbraw/zinc/26/72/06/214267206.db2.gz WNVFUGSWJYFZGV-HNNXBMFYSA-N 0 0 336.823 2.724 50 0 EFAARN Cc1cc(-c2cccc(CN3CCOCC3)c2)nc(N2CCCC2)n1 ZINC000097743435 219053420 /nfs/dbraw/zinc/05/34/20/219053420.db2.gz MSZXKWWYYYAGHZ-UHFFFAOYSA-N 0 0 338.455 2.884 50 0 EFAARN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1c[nH]cn1 ZINC000055074368 214268841 /nfs/dbraw/zinc/26/88/41/214268841.db2.gz ICCAZVSABCTOAR-SFHVURJKSA-N 0 0 327.428 2.805 50 0 EFAARN CCn1nc(C)c(CN(CCOC)Cc2cccc3c2OCO3)c1C ZINC000055118776 214275071 /nfs/dbraw/zinc/27/50/71/214275071.db2.gz WXFBSSVDKFHENA-UHFFFAOYSA-N 0 0 345.443 2.897 50 0 EFAARN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1cn[nH]c1 ZINC000055088136 214270808 /nfs/dbraw/zinc/27/08/08/214270808.db2.gz GOFYQZFOHSFBAF-GOSISDBHSA-N 0 0 327.428 2.805 50 0 EFAARN CC[C@@H](CO)N(Cc1cccnc1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000055089892 214271728 /nfs/dbraw/zinc/27/17/28/214271728.db2.gz YMZHDQDTCBXIIA-HNNXBMFYSA-N 0 0 348.830 2.783 50 0 EFAARN COC(=O)[C@@H](CCSC)NCc1cnc(-c2cccc(C)c2)nc1 ZINC000055100303 214273887 /nfs/dbraw/zinc/27/38/87/214273887.db2.gz JKMATJIUNFJNRH-MRXNPFEDSA-N 0 0 345.468 2.836 50 0 EFAARN CCCCN(Cc1ccc(C)s1)C(=O)[C@@H](C)N1CCN(C)CC1 ZINC000055052907 214267621 /nfs/dbraw/zinc/26/76/21/214267621.db2.gz PHZRGUFGGKAIFP-MRXNPFEDSA-N 0 0 337.533 2.821 50 0 EFAARN CCCc1cc(C(=O)N(C)[C@@H](C)c2ccc3c(c2)OCCO3)[nH]n1 ZINC000055052551 214267735 /nfs/dbraw/zinc/26/77/35/214267735.db2.gz BIRIMRMGTJYVDZ-LBPRGKRZSA-N 0 0 329.400 2.967 50 0 EFAARN Cc1nc2c(ncnc2NC[C@]2(c3ccc(F)cc3)CCOC2)o1 ZINC000055119589 214275900 /nfs/dbraw/zinc/27/59/00/214275900.db2.gz GYNVVYOERJJUBE-QGZVFWFLSA-N 0 0 328.347 2.836 50 0 EFAARN CCCCC(=O)Nc1cc(NC(=O)c2ccc[nH]c2=O)ccc1OC ZINC000055119814 214275971 /nfs/dbraw/zinc/27/59/71/214275971.db2.gz AQFCQMRXCVETCW-UHFFFAOYSA-N 0 0 343.383 2.765 50 0 EFAARN CNc1ncc(C(=O)NCc2cc(Cl)ccc2OC(C)C)cn1 ZINC000097743616 219053932 /nfs/dbraw/zinc/05/39/32/219053932.db2.gz RMTRYEYNYXMNAX-UHFFFAOYSA-N 0 0 334.807 2.889 50 0 EFAARN Cc1cc(C)n([C@@H](C)CNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)n1 ZINC000097743001 219053963 /nfs/dbraw/zinc/05/39/63/219053963.db2.gz UKWROAYOUPRLCK-LBPRGKRZSA-N 0 0 327.388 2.782 50 0 EFAARN C[C@@H](O)C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000055131479 214277287 /nfs/dbraw/zinc/27/72/87/214277287.db2.gz JUBKLLVBYOLAPT-LLVKDONJSA-N 0 0 332.429 2.830 50 0 EFAARN CCN(Cc1nc(COC)no1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000055153282 214279981 /nfs/dbraw/zinc/27/99/81/214279981.db2.gz AQYSGDCRUAQYEE-UHFFFAOYSA-N 0 0 335.452 2.806 50 0 EFAARN COC(=O)c1ccccc1C(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055182710 214284612 /nfs/dbraw/zinc/28/46/12/214284612.db2.gz WZNPEQIPTGDGIT-AWEZNQCLSA-N 0 0 326.396 2.880 50 0 EFAARN Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(N)ccn3)C2)cc1 ZINC000055183394 214285217 /nfs/dbraw/zinc/28/52/17/214285217.db2.gz OUOHBAMAFRTSDK-HNNXBMFYSA-N 0 0 325.412 2.903 50 0 EFAARN CC[C@@H](NC(=O)CCSCc1ccc(F)cc1)c1ncnn1C ZINC000055196191 214287330 /nfs/dbraw/zinc/28/73/30/214287330.db2.gz IIQUQWPOUXABGP-CQSZACIVSA-N 0 0 336.436 2.845 50 0 EFAARN CCN(Cc1c(C)nn(CC)c1C)Cc1ccccc1OCCO ZINC000055211623 214289496 /nfs/dbraw/zinc/28/94/96/214289496.db2.gz HVEAAKBDGDQFAE-UHFFFAOYSA-N 0 0 331.460 2.913 50 0 EFAARN CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(C)=O)cc1Cl ZINC000055245280 214295327 /nfs/dbraw/zinc/29/53/27/214295327.db2.gz LBDINCWFHJVANR-AWEZNQCLSA-N 0 0 337.807 2.638 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000055245328 214295410 /nfs/dbraw/zinc/29/54/10/214295410.db2.gz QVWOMXNAEIPIGN-UHFFFAOYSA-N 0 0 344.415 2.889 50 0 EFAARN COc1ccc(CNC(=O)CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000055253963 214296750 /nfs/dbraw/zinc/29/67/50/214296750.db2.gz IGGMKNCOAJMWDO-UHFFFAOYSA-N 0 0 342.395 2.657 50 0 EFAARN C[C@H](CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2)N1CCOCC1 ZINC000055224558 214291445 /nfs/dbraw/zinc/29/14/45/214291445.db2.gz AEGXZBUKLLESLM-HWWITLHISA-N 0 0 334.504 2.772 50 0 EFAARN CCCCC(=O)Nc1cc(NC(=O)c2cnccn2)ccc1OC ZINC000055226200 214293038 /nfs/dbraw/zinc/29/30/38/214293038.db2.gz DPCVLIUSAGOBQB-UHFFFAOYSA-N 0 0 328.372 2.866 50 0 EFAARN CCc1noc(CNC(=O)CSCc2ccccc2Cl)n1 ZINC000055242509 214293413 /nfs/dbraw/zinc/29/34/13/214293413.db2.gz BABYWEGPAGAZIC-UHFFFAOYSA-N 0 0 325.821 2.835 50 0 EFAARN CCSc1nc(CC(=O)N(Cc2nccn2C)C2CC2)cs1 ZINC000055242158 214293896 /nfs/dbraw/zinc/29/38/96/214293896.db2.gz WYQKBNHLTAZLTN-UHFFFAOYSA-N 0 0 336.486 2.722 50 0 EFAARN Cc1cc(C(=O)NCCc2c[nH]cn2)c(NC(=O)C(C)(C)C)s1 ZINC000055242123 214294221 /nfs/dbraw/zinc/29/42/21/214294221.db2.gz GIWXXCKNOWZSMQ-UHFFFAOYSA-N 0 0 334.445 2.737 50 0 EFAARN Cc1c[nH]c(CN(C)C(=O)c2cc(C)ccc2NC(=O)C(C)C)n1 ZINC000055244576 214294389 /nfs/dbraw/zinc/29/43/89/214294389.db2.gz FYAPEYZKFQGSII-UHFFFAOYSA-N 0 0 328.416 2.893 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000055326994 214307696 /nfs/dbraw/zinc/30/76/96/214307696.db2.gz IQUOOSQCHASEPZ-LBPRGKRZSA-N 0 0 345.447 2.778 50 0 EFAARN CCOC[C@H](O)CNC(=O)c1ccc(CNc2ccc(C)cc2)cc1 ZINC000055271876 214299112 /nfs/dbraw/zinc/29/91/12/214299112.db2.gz MGPWMYVUONBRJF-LJQANCHMSA-N 0 0 342.439 2.734 50 0 EFAARN O=C(C(=O)N(Cc1ccc(F)cc1)C[C@H]1CCCO1)c1ccco1 ZINC000055271928 214299430 /nfs/dbraw/zinc/29/94/30/214299430.db2.gz SYENLGUXVDNIQK-OAHLLOKOSA-N 0 0 331.343 2.809 50 0 EFAARN Cc1ccc(C)c(OCC(=O)NCCC(=O)NC2CCCCC2)c1C ZINC000055281480 214300487 /nfs/dbraw/zinc/30/04/87/214300487.db2.gz BYCQHZIQSDIAMN-UHFFFAOYSA-N 0 0 346.471 2.946 50 0 EFAARN Cc1nn(C)c(C)c1CN(C(=O)c1n[nH]c2c1C[C@@H](C)CC2)C(C)C ZINC000055280812 214300497 /nfs/dbraw/zinc/30/04/97/214300497.db2.gz GTTQTTXIKXXROZ-LBPRGKRZSA-N 0 0 343.475 2.936 50 0 EFAARN CCSc1nc(CC(=O)N[C@H](C)Cn2nc(C)cc2C)cs1 ZINC000055283853 214301916 /nfs/dbraw/zinc/30/19/16/214301916.db2.gz ORTTUHSISFRXCD-LLVKDONJSA-N 0 0 338.502 2.816 50 0 EFAARN Cc1ccc(NC2(C(=O)NCCSc3nc[nH]n3)CCCC2)cc1 ZINC000055284429 214302255 /nfs/dbraw/zinc/30/22/55/214302255.db2.gz WLGVHDGDPVLJQB-UHFFFAOYSA-N 0 0 345.472 2.746 50 0 EFAARN COCCN(Cc1cccs1)C(=O)c1nn(C)c2ccccc21 ZINC000055308048 214303728 /nfs/dbraw/zinc/30/37/28/214303728.db2.gz IDBZUYLPHJNMEA-UHFFFAOYSA-N 0 0 329.425 2.924 50 0 EFAARN CCc1oc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1C[NH+](CC)CC ZINC000055309080 214304874 /nfs/dbraw/zinc/30/48/74/214304874.db2.gz XSYXHEGGXCOPCR-CQSZACIVSA-N 0 0 336.432 2.763 50 0 EFAARN Cc1cnn(Cc2ccccc2Cl)c1NC(=O)Cc1nonc1C ZINC000055308629 214304945 /nfs/dbraw/zinc/30/49/45/214304945.db2.gz NGFULGLPYJSRJQ-UHFFFAOYSA-N 0 0 345.790 2.766 50 0 EFAARN CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)c1ccc(C)[nH]c1=O ZINC000055310270 214304957 /nfs/dbraw/zinc/30/49/57/214304957.db2.gz NEJBSGOHYOWGPW-UHFFFAOYSA-N 0 0 338.411 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QDFIYJHVDPDHPW-UHFFFAOYSA-N 0 0 348.443 2.992 50 0 EFAARN Cn1ccc(NC(=O)CN2CCC[C@H](CCc3ccc(F)cc3)C2)n1 ZINC000072130714 216020290 /nfs/dbraw/zinc/02/02/90/216020290.db2.gz ZVAOMSUZZOBEDJ-MRXNPFEDSA-N 0 0 344.434 2.843 50 0 EFAARN Cc1cc(C)c(C)c2occ(CC(=O)N3CCC[C@@](O)(CO)CC3)c21 ZINC000072130654 216021072 /nfs/dbraw/zinc/02/10/72/216021072.db2.gz CTACWXVUAVHVDR-FQEVSTJZSA-N 0 0 345.439 2.636 50 0 EFAARN O=C(Cn1ccnc1-c1ccccc1)N1CCC2(CCCO2)CC1 ZINC000072133338 216021732 /nfs/dbraw/zinc/02/17/32/216021732.db2.gz IMGAKDACAULNHL-UHFFFAOYSA-N 0 0 325.412 2.722 50 0 EFAARN COc1ccnc(C[N@@H+]2CC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1OC ZINC000072133513 216022389 /nfs/dbraw/zinc/02/23/89/216022389.db2.gz YGDAOXRSEVDPCR-HNNXBMFYSA-N 0 0 342.395 2.787 50 0 EFAARN CCCc1nc2c(cnn2C)c(N[C@H](C)c2nncn2C(C)C)n1 ZINC000072134594 216023371 /nfs/dbraw/zinc/02/33/71/216023371.db2.gz BLMXEMKTGWHWFD-LLVKDONJSA-N 0 0 328.424 2.661 50 0 EFAARN CCCc1cc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2)nc(C)n1 ZINC000072134662 216024160 /nfs/dbraw/zinc/02/41/60/216024160.db2.gz GJXMVUFFYSIOTF-GOSISDBHSA-N 0 0 338.455 2.993 50 0 EFAARN CCc1ccccc1C(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000072137093 216024871 /nfs/dbraw/zinc/02/48/71/216024871.db2.gz HBIZBANFKABLJS-GOSISDBHSA-N 0 0 348.446 2.747 50 0 EFAARN CCOC(=O)C[C@@H](C)Nc1nc(C2CCCC2)nc2c1cnn2C ZINC000072140193 216025771 /nfs/dbraw/zinc/02/57/71/216025771.db2.gz NLXJFYXONIWIRU-LLVKDONJSA-N 0 0 331.420 2.775 50 0 EFAARN CC(C)NC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000072143488 216028433 /nfs/dbraw/zinc/02/84/33/216028433.db2.gz QJNLFWRYKVIISJ-GFCCVEGCSA-N 0 0 330.354 2.777 50 0 EFAARN Cn1ncc2c1nc(C1CCCC1)nc2NC[C@@H](O)c1cccnc1 ZINC000072143157 216029196 /nfs/dbraw/zinc/02/91/96/216029196.db2.gz FDHDBPVHWQGJPT-OAHLLOKOSA-N 0 0 338.415 2.561 50 0 EFAARN O=C(NCc1c[nH]nc1-c1cccs1)c1cnn2c1CCCC2 ZINC000072146514 216034065 /nfs/dbraw/zinc/03/40/65/216034065.db2.gz DGQZTULNLGVDQM-UHFFFAOYSA-N 0 0 327.413 2.601 50 0 EFAARN C[C@@]1(O)CCN(C(=O)c2cccc(O)c2)C[C@@H]1Cc1ccccc1 ZINC000072150215 216038587 /nfs/dbraw/zinc/03/85/87/216038587.db2.gz GNEQMSDZHSMKMM-FXAWDEMLSA-N 0 0 325.408 2.848 50 0 EFAARN CN(C)C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072151097 216039475 /nfs/dbraw/zinc/03/94/75/216039475.db2.gz CFHVCQHKXXXJRW-IAOVAPTHSA-N 0 0 335.398 2.508 50 0 EFAARN Cc1nnc(-c2ccc(-c3cc(NCCO)nc4[nH]ccc43)cc2)o1 ZINC000072151108 216039521 /nfs/dbraw/zinc/03/95/21/216039521.db2.gz CIVRRAHCAZFGQE-UHFFFAOYSA-N 0 0 335.367 2.993 50 0 EFAARN CC(C)c1nc(CCNC(=O)c2cn(-c3ccccc3)nn2)cs1 ZINC000072150573 216037965 /nfs/dbraw/zinc/03/79/65/216037965.db2.gz UWTIBOPRYSQRLB-UHFFFAOYSA-N 0 0 341.440 2.820 50 0 EFAARN c1cc2c(nc(NCc3cccnc3)cc2-c2cnc3n[nH]nc3c2)[nH]1 ZINC000072162525 216049913 /nfs/dbraw/zinc/04/99/13/216049913.db2.gz LTJSKRBTIPFRND-UHFFFAOYSA-N 0 0 342.366 2.903 50 0 EFAARN COCc1cc(CNc2nc(C3CCCC3)nc3c2cnn3C)[nH]n1 ZINC000072161509 216049930 /nfs/dbraw/zinc/04/99/30/216049930.db2.gz LMAVERQOLBFIFT-UHFFFAOYSA-N 0 0 341.419 2.503 50 0 EFAARN Cn1ncc2c1nc(-c1cccnc1)nc2N[C@H]1CCc2cccnc21 ZINC000072161779 216050041 /nfs/dbraw/zinc/05/00/41/216050041.db2.gz LFULRHVSFSMHPE-HNNXBMFYSA-N 0 0 343.394 2.920 50 0 EFAARN CNC(=O)c1nc(CN2CCC[C@H](CCc3ccccc3C)C2)no1 ZINC000072162088 216050526 /nfs/dbraw/zinc/05/05/26/216050526.db2.gz RXLJTZMRVCFNKP-OAHLLOKOSA-N 0 0 342.443 2.582 50 0 EFAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1noc(-c2ccccc2)n1 ZINC000072154738 216044403 /nfs/dbraw/zinc/04/44/03/216044403.db2.gz SIQCEKLCQZEDPB-SFHVURJKSA-N 0 0 327.384 2.798 50 0 EFAARN CC(=O)NCC[C@H]1CCCCN1Cc1nnc(-c2cccc(F)c2)o1 ZINC000072156045 216045410 /nfs/dbraw/zinc/04/54/10/216045410.db2.gz GLPINMPAQYXPIA-MRXNPFEDSA-N 0 0 346.406 2.756 50 0 EFAARN NC(=O)c1cccc(C[C@@H]2CCN(c3noc(-c4ccccc4)n3)C2)c1 ZINC000072157704 216046846 /nfs/dbraw/zinc/04/68/46/216046846.db2.gz NAYDXHMIMGFUDS-HNNXBMFYSA-N 0 0 348.406 2.905 50 0 EFAARN CCCNC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157323 216047294 /nfs/dbraw/zinc/04/72/94/216047294.db2.gz FFOQHXJAFORERU-KZNAEPCWSA-N 0 0 349.425 2.946 50 0 EFAARN CC(C)c1cc([C@H]2CCCN2S(=O)(=O)NCc2ccccc2)no1 ZINC000072157009 216047436 /nfs/dbraw/zinc/04/74/36/216047436.db2.gz PQVIBWPIDGPKKS-MRXNPFEDSA-N 0 0 349.456 2.970 50 0 EFAARN CN(CCn1ccc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1 ZINC000072158702 216048250 /nfs/dbraw/zinc/04/82/50/216048250.db2.gz CKQCLAOLVSOWPQ-UHFFFAOYSA-N 0 0 345.406 2.994 50 0 EFAARN COc1cccc(CN2CCN(Cc3cc(F)cc(F)c3)CC2=O)c1 ZINC000072159379 216049305 /nfs/dbraw/zinc/04/93/05/216049305.db2.gz PAONVMYVGBBAGA-UHFFFAOYSA-N 0 0 346.377 2.818 50 0 EFAARN O[C@H](CNc1cc(-c2ccccc2)nc2ccnn21)c1cccnc1 ZINC000072162703 216052101 /nfs/dbraw/zinc/05/21/01/216052101.db2.gz ISHQQZJTODRSMO-QGZVFWFLSA-N 0 0 331.379 2.937 50 0 EFAARN COCc1nc2c(cnn2C)c(NCCOc2ccc(C)c(C)c2)n1 ZINC000072163785 216052832 /nfs/dbraw/zinc/05/28/32/216052832.db2.gz VRRRBVUVWWLKOD-UHFFFAOYSA-N 0 0 341.415 2.617 50 0 EFAARN OCCOc1cccc(CN2CC(Oc3ccccc3Cl)C2)c1 ZINC000072164315 216052891 /nfs/dbraw/zinc/05/28/91/216052891.db2.gz ZDPKKRMDFCRRHP-UHFFFAOYSA-N 0 0 333.815 2.974 50 0 EFAARN O=C([O-])c1ccnc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072164271 216053208 /nfs/dbraw/zinc/05/32/08/216053208.db2.gz JKAAYFFVFAKBQU-MISYRCLQSA-N 0 0 349.434 2.846 50 0 EFAARN COc1cccc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)c1 ZINC000072164629 216053381 /nfs/dbraw/zinc/05/33/81/216053381.db2.gz YEFDLXVGXVGAIT-UHFFFAOYSA-N 0 0 349.434 2.979 50 0 EFAARN CCOC(=O)CCNC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000072164379 216053420 /nfs/dbraw/zinc/05/34/20/216053420.db2.gz FAJUGUBEXFUGMS-HNNXBMFYSA-N 0 0 344.415 2.671 50 0 EFAARN CC(C)(C)c1nc(CN2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)no1 ZINC000072165004 216053652 /nfs/dbraw/zinc/05/36/52/216053652.db2.gz UORLOKLJFRVMSR-AWEZNQCLSA-N 0 0 342.443 2.531 50 0 EFAARN O=C([C@@H]1CC(=O)OC12CCCC2)N1CCC(c2ccncc2)CC1 ZINC000077407234 295998373 /nfs/dbraw/zinc/99/83/73/295998373.db2.gz WZFMVOLHHQDCGZ-INIZCTEOSA-N 0 0 328.412 2.664 50 0 EFAARN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000072166849 216056867 /nfs/dbraw/zinc/05/68/67/216056867.db2.gz MRFVFBCUKQTXAO-MRXNPFEDSA-N 0 0 333.457 2.596 50 0 EFAARN CC(C)c1nc2c(cnn2C)c(NCCCOc2cccnc2)n1 ZINC000072167608 216056967 /nfs/dbraw/zinc/05/69/67/216056967.db2.gz RKDCBSYFBPOXKW-UHFFFAOYSA-N 0 0 326.404 2.763 50 0 EFAARN O=C(N[C@H]1CCCN(c2ncccn2)C1)C1=Cc2ccccc2OC=C1 ZINC000072167231 216057568 /nfs/dbraw/zinc/05/75/68/216057568.db2.gz ATXSTUHPBQVWNM-KRWDZBQOSA-N 0 0 348.406 2.551 50 0 EFAARN O[C@@H]1CN(c2ccc3cc[nH]c3n2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000072166829 216058119 /nfs/dbraw/zinc/05/81/19/216058119.db2.gz KQXLMWSIVYFILM-LSDHHAIUSA-N 0 0 337.379 2.646 50 0 EFAARN COc1cccc(CN2CCN(Cc3ccc(F)cc3C)CC2=O)c1 ZINC000072168122 216059516 /nfs/dbraw/zinc/05/95/16/216059516.db2.gz XYPKWRRHUYISAU-UHFFFAOYSA-N 0 0 342.414 2.987 50 0 EFAARN Cc1nc2ccc(S(=O)(=O)N3CC(c4ccncc4)C3)cc2s1 ZINC000072168465 216059650 /nfs/dbraw/zinc/05/96/50/216059650.db2.gz PMEIVHXXIIZZOM-UHFFFAOYSA-N 0 0 345.449 2.788 50 0 EFAARN COC(=O)c1cc(CN(C)Cc2nc(-c3cccnc3)no2)cs1 ZINC000072169099 216060421 /nfs/dbraw/zinc/06/04/21/216060421.db2.gz GZJKWXOWCNUQOD-UHFFFAOYSA-N 0 0 344.396 2.612 50 0 EFAARN Cc1cc2sc(N)nc2c(NS(=O)(=O)NCc2ccccc2)c1 ZINC000072169733 216060785 /nfs/dbraw/zinc/06/07/85/216060785.db2.gz GVYDPXGVZRKESI-UHFFFAOYSA-N 0 0 348.453 2.633 50 0 EFAARN CCc1nc2c(cnn2C)c(N(C)Cc2[nH]nc3c2CCCCC3)n1 ZINC000072169453 216060941 /nfs/dbraw/zinc/06/09/41/216060941.db2.gz SOTKJYQRHDEREX-UHFFFAOYSA-N 0 0 339.447 2.554 50 0 EFAARN Cc1ncnc(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c1C ZINC000072171522 216062223 /nfs/dbraw/zinc/06/22/23/216062223.db2.gz QVOAPTUKQYILNR-INIZCTEOSA-N 0 0 340.427 2.946 50 0 EFAARN COc1ccc(N[C@H]2CCCN(C(=O)C(=O)CC(C)C)C2)cc1OC ZINC000072172808 216063687 /nfs/dbraw/zinc/06/36/87/216063687.db2.gz DOUCZDBLHPCVKJ-HNNXBMFYSA-N 0 0 348.443 2.722 50 0 EFAARN COCCn1cncc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072172812 216063734 /nfs/dbraw/zinc/06/37/34/216063734.db2.gz JZEYTFLWPYZBNO-QGZVFWFLSA-N 0 0 343.406 2.882 50 0 EFAARN c1cn(-c2ccc(-n3cncn3)cc2)c(-c2nc3ccccc3[nH]2)n1 ZINC000072174197 216064935 /nfs/dbraw/zinc/06/49/35/216064935.db2.gz XNXJJMJBBLEABU-UHFFFAOYSA-N 0 0 327.351 2.996 50 0 EFAARN Cc1ccc([C@H]2[C@H](C(=O)Nc3nccs3)CCC(=O)N2C)cc1 ZINC000072238249 216077794 /nfs/dbraw/zinc/07/77/94/216077794.db2.gz LSGGWWDREIFYGM-HIFRSBDPSA-N 0 0 329.425 3.000 50 0 EFAARN Cc1ccc(-c2snnc2C(=O)NCCCn2ccnc2)cc1 ZINC000072240040 216078699 /nfs/dbraw/zinc/07/86/99/216078699.db2.gz JCRFIYRCSLOBEC-UHFFFAOYSA-N 0 0 327.413 2.530 50 0 EFAARN O=C(NCCc1ccccc1)[C@H]1CCC(=O)N1Cc1cccs1 ZINC000072239777 216078904 /nfs/dbraw/zinc/07/89/04/216078904.db2.gz RZJPQYUPWDXDNX-MRXNPFEDSA-N 0 0 328.437 2.598 50 0 EFAARN Cc1cnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)s1 ZINC000072242229 216081717 /nfs/dbraw/zinc/08/17/17/216081717.db2.gz MFEYZVVWRCNZCB-JSGCOSHPSA-N 0 0 333.388 2.749 50 0 EFAARN CCN(C(C)=O)c1nc(CN2CCC[C@H](c3cc[nH]n3)C2)cs1 ZINC000072270638 216093942 /nfs/dbraw/zinc/09/39/42/216093942.db2.gz VDFRYSWUCDGPEC-ZDUSSCGKSA-N 0 0 333.461 2.619 50 0 EFAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000030855801 212713276 /nfs/dbraw/zinc/71/32/76/212713276.db2.gz KLRKSIJDXKCQRL-LBPRGKRZSA-N 0 0 339.819 2.909 50 0 EFAARN CC(=O)Oc1ccccc1[C@H]1OC(c2ccc(F)cc2)=NN1C(C)=O ZINC000000385457 209564179 /nfs/dbraw/zinc/56/41/79/209564179.db2.gz ZYSJDBSPPLEOFA-GOSISDBHSA-N 0 0 342.326 2.990 50 0 EFAARN CCOC(=O)c1cnc(SC)nc1Nc1ccc(CCO)cc1 ZINC000000383918 209562657 /nfs/dbraw/zinc/56/26/57/209562657.db2.gz JEEZTIVUQGBWMP-UHFFFAOYSA-N 0 0 333.413 2.654 50 0 EFAARN O=C(Oc1cccnc1)c1ccccc1I ZINC000000383049 209562686 /nfs/dbraw/zinc/56/26/86/209562686.db2.gz NVRNIAQBSLCJID-UHFFFAOYSA-N 0 0 325.105 2.905 50 0 EFAARN COc1ccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000000368911 209554420 /nfs/dbraw/zinc/55/44/20/209554420.db2.gz AYNHBKBTQHXWPJ-VMPITWQZSA-N 0 0 341.363 2.762 50 0 EFAARN COc1ccc(C(=O)NC(=S)Nc2cccc(C)n2)cc1OC ZINC000000328762 209538569 /nfs/dbraw/zinc/53/85/69/209538569.db2.gz KDQHPNFNTYSANJ-UHFFFAOYSA-N 0 0 331.397 2.534 50 0 EFAARN COc1ccccc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 ZINC000000328774 209538597 /nfs/dbraw/zinc/53/85/97/209538597.db2.gz MUEDUDXLMWLNLA-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c(OC)c1 ZINC000000328102 209538813 /nfs/dbraw/zinc/53/88/13/209538813.db2.gz JOBWYJDTWMABTK-UHFFFAOYSA-N 0 0 343.305 2.866 50 0 EFAARN O=C(NCc1ccccn1)c1cccc(I)c1 ZINC000000318628 209533905 /nfs/dbraw/zinc/53/39/05/209533905.db2.gz RAOHURGALQOULI-UHFFFAOYSA-N 0 0 338.148 2.616 50 0 EFAARN O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000315144 209531135 /nfs/dbraw/zinc/53/11/35/209531135.db2.gz GKLJDSPBTCNUHG-HNNXBMFYSA-N 0 0 326.371 2.538 50 0 EFAARN CCCN(CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C ZINC000072284333 216114416 /nfs/dbraw/zinc/11/44/16/216114416.db2.gz FCUZSLQMBYWEQB-UHFFFAOYSA-N 0 0 332.400 2.930 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)n2c(C)nc3ccccc32)c1 ZINC000000283163 209517014 /nfs/dbraw/zinc/51/70/14/209517014.db2.gz ABQFNZLWSTVXIY-UHFFFAOYSA-N 0 0 332.381 2.599 50 0 EFAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000000273798 209514961 /nfs/dbraw/zinc/51/49/61/209514961.db2.gz ZXBIQPMZEMVILZ-UHFFFAOYSA-N 0 0 327.380 2.911 50 0 biogenic EFAARN Cc1ccc(OCC(=O)OCC(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000072331110 216154767 /nfs/dbraw/zinc/15/47/67/216154767.db2.gz JIDAFJQWTZGLDR-SFHVURJKSA-N 0 0 339.391 2.721 50 0 EFAARN COc1ccc(CNC(=O)c2nn(C)c3ccccc32)c(OC)c1 ZINC000072331711 216154937 /nfs/dbraw/zinc/15/49/37/216154937.db2.gz JDFYKRDNUBFTCV-UHFFFAOYSA-N 0 0 325.368 2.521 50 0 EFAARN CCOc1ccc(CC(=O)OCC(=O)NC2CCCC2)cc1OCC ZINC000072330896 216155172 /nfs/dbraw/zinc/15/51/72/216155172.db2.gz XDAAADKXECCOBG-UHFFFAOYSA-N 0 0 349.427 2.629 50 0 EFAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)cc2)c1 ZINC000000234700 209497854 /nfs/dbraw/zinc/49/78/54/209497854.db2.gz NQNYNEJQPQOXIM-KRWDZBQOSA-N 0 0 337.379 2.967 50 0 EFAARN COc1ccc(OC)c2c1cc(C(=O)NCc1cccnc1)n2C ZINC000072324601 216151087 /nfs/dbraw/zinc/15/10/87/216151087.db2.gz IFTQDBAWTYZSHB-UHFFFAOYSA-N 0 0 325.368 2.521 50 0 biogenic EFAARN O=C(CCn1nc(-c2ccccc2)ccc1=O)NC1CCCCC1 ZINC000000220174 209493048 /nfs/dbraw/zinc/49/30/48/209493048.db2.gz GNCGZVQDSGYELF-UHFFFAOYSA-N 0 0 325.412 2.749 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1F ZINC000000202292 209481024 /nfs/dbraw/zinc/48/10/24/209481024.db2.gz GKFVCXFKRWHYTO-CQSZACIVSA-N 0 0 334.372 2.649 50 0 EFAARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(OC)c1 ZINC000000182671 209470332 /nfs/dbraw/zinc/47/03/32/209470332.db2.gz VVSDQRWOWVWUBF-UHFFFAOYSA-N 0 0 345.395 2.618 50 0 EFAARN O=C(N/C(=C/c1cccnc1)C(=O)N1CCCCCC1)c1ccco1 ZINC000000179208 209468210 /nfs/dbraw/zinc/46/82/10/209468210.db2.gz PYRXFTMGNBIBJM-DTQAZKPQSA-N 0 0 339.395 2.848 50 0 EFAARN Cc1c(C(N)=O)sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000000149883 209453060 /nfs/dbraw/zinc/45/30/60/209453060.db2.gz WURJUTSURUHNTF-UHFFFAOYSA-N 0 0 333.800 2.567 50 0 EFAARN CCn1nc(-c2nn3c(Cc4c(C)noc4C)nnc3s2)cc1C ZINC000072406460 216196734 /nfs/dbraw/zinc/19/67/34/216196734.db2.gz IGBUXAQFQAVMAL-UHFFFAOYSA-N 0 0 343.416 2.573 50 0 EFAARN COC(=O)CC1CCN(C(=O)c2csc(NCC(C)C)n2)CC1 ZINC000072405914 216196787 /nfs/dbraw/zinc/19/67/87/216196787.db2.gz NVXROVDDLPTEAP-UHFFFAOYSA-N 0 0 339.461 2.626 50 0 EFAARN COC(=O)c1cc2c(ccn(-c3ccccc3)c2=O)nc1/C=C/N(C)C ZINC000072406634 216197126 /nfs/dbraw/zinc/19/71/26/216197126.db2.gz YSSNOMKPPQAIEW-PKNBQFBNSA-N 0 0 349.390 2.705 50 0 EFAARN CC(C)OCC(=O)Nc1cccnc1Oc1ccc2c(c1)OCO2 ZINC000072400733 216193792 /nfs/dbraw/zinc/19/37/92/216193792.db2.gz PRYNLPKKJVJTAN-UHFFFAOYSA-N 0 0 330.340 2.966 50 0 EFAARN O=C(Nc1ccc(-n2cc(Br)cn2)nc1)c1ccco1 ZINC000072401851 216193795 /nfs/dbraw/zinc/19/37/95/216193795.db2.gz MFOOCZFONIXIRZ-UHFFFAOYSA-N 0 0 333.145 2.875 50 0 EFAARN COCc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)nc2)o1 ZINC000072401528 216194220 /nfs/dbraw/zinc/19/42/20/216194220.db2.gz IFNXUZDYUFIEBB-UHFFFAOYSA-N 0 0 332.747 2.912 50 0 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331.412 2.965 50 0 in-man EFAARN Cc1nn2c(nc(C)cc2NC[C@H](O)COc2ccccc2)c1C ZINC000072410175 216201949 /nfs/dbraw/zinc/20/19/49/216201949.db2.gz WVZWVQSUITWBBY-HNNXBMFYSA-N 0 0 326.400 2.506 50 0 EFAARN CCc1cc(CNc2nc(-c3cccnc3)nc3c2c(C)nn3C)on1 ZINC000072408060 216199332 /nfs/dbraw/zinc/19/93/32/216199332.db2.gz PZEGEROLLAGDAH-UHFFFAOYSA-N 0 0 349.398 2.896 50 0 EFAARN Cn1c(SCC(N)=O)nnc1-c1sc2ccccc2c1Cl ZINC000000107071 209425167 /nfs/dbraw/zinc/42/51/67/209425167.db2.gz ASEKUPHTGVFDKO-UHFFFAOYSA-N 0 0 338.845 2.928 50 0 EFAARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2)NC(=S)N1 ZINC000000106739 209423751 /nfs/dbraw/zinc/42/37/51/209423751.db2.gz RKFUGISQSUVAMX-QGZVFWFLSA-N 0 0 337.448 2.796 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000000102896 209421447 /nfs/dbraw/zinc/42/14/47/209421447.db2.gz UWKPLICGJDAJHG-UHFFFAOYSA-N 0 0 344.436 2.530 50 0 EFAARN Cc1nc2ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc2nc1C ZINC000072418913 216207258 /nfs/dbraw/zinc/20/72/58/216207258.db2.gz 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/nfs/dbraw/zinc/42/75/17/209427517.db2.gz ZIFIHGJSPPFWCY-CQSZACIVSA-N 0 0 337.206 2.820 50 0 EFAARN CCOC(=O)N1CCN(C(=S)Nc2ccc(OCC)cc2)CC1 ZINC000000109756 209426937 /nfs/dbraw/zinc/42/69/37/209426937.db2.gz MYKDEZLVYJGKBL-UHFFFAOYSA-N 0 0 337.445 2.556 50 0 EFAARN CCCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CC)C2)C1 ZINC000072412127 216205313 /nfs/dbraw/zinc/20/53/13/216205313.db2.gz ICSGPUJWOBRZAK-IBGZPJMESA-N 0 0 330.476 2.966 50 0 EFAARN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000072412153 216205549 /nfs/dbraw/zinc/20/55/49/216205549.db2.gz GBAMEUFTJAOVEA-OAHLLOKOSA-N 0 0 347.507 2.553 50 0 EFAARN CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1Cl ZINC000000076117 209403019 /nfs/dbraw/zinc/40/30/19/209403019.db2.gz KHFGJKKVHLKKQG-UHFFFAOYSA-N 0 0 328.755 2.947 50 0 EFAARN Cc1cc(N2CCC(n3c4ccccc4[nH]c3=O)CC2)n2nccc2n1 ZINC000072418842 216207669 /nfs/dbraw/zinc/20/76/69/216207669.db2.gz YYOYTLXQDROROJ-UHFFFAOYSA-N 0 0 348.410 2.522 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)N2CCC(c3nnc[nH]3)CC2)c1 ZINC000072421280 216209114 /nfs/dbraw/zinc/20/91/14/216209114.db2.gz UFAYBKICTVENLX-UHFFFAOYSA-N 0 0 342.443 2.528 50 0 EFAARN CC(=O)N(C1CCCC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000093235 209416378 /nfs/dbraw/zinc/41/63/78/209416378.db2.gz ZXNIPHDTADAUGP-HNNXBMFYSA-N 0 0 334.803 2.763 50 0 EFAARN COc1ccc(N2C(=O)C(Cl)=C(N3CCC[C@@H](C)C3)C2=O)cc1 ZINC000000090631 209414011 /nfs/dbraw/zinc/41/40/11/209414011.db2.gz PXGIAWSSFXNWBW-LLVKDONJSA-N 0 0 334.803 2.751 50 0 EFAARN Cn1cccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000072422045 216210121 /nfs/dbraw/zinc/21/01/21/216210121.db2.gz ZQSLJRCMMKYZKP-UHFFFAOYSA-N 0 0 326.425 2.597 50 0 EFAARN COCc1ccc(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)o1 ZINC000072422551 216211589 /nfs/dbraw/zinc/21/15/89/216211589.db2.gz SPHVWZOGXSFAMQ-CQSZACIVSA-N 0 0 344.411 2.786 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1 ZINC000000082039 209407367 /nfs/dbraw/zinc/40/73/67/209407367.db2.gz UQQLHPRHZXTORO-UHFFFAOYSA-N 0 0 345.424 2.509 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)NC[C@H](O)c2ccc(F)cc2)c1 ZINC000072425418 216216702 /nfs/dbraw/zinc/21/67/02/216216702.db2.gz AVZDCXMKQAUQBU-SFHVURJKSA-N 0 0 345.414 2.993 50 0 EFAARN CCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 ZINC000072425652 216216740 /nfs/dbraw/zinc/21/67/40/216216740.db2.gz KEDMWMYEUAPGAT-ZWKOTPCHSA-N 0 0 343.471 2.654 50 0 EFAARN Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Oc2ccccc2)c1 ZINC000000062976 209396190 /nfs/dbraw/zinc/39/61/90/209396190.db2.gz KIRNBQAQITVWQW-RDJZCZTQSA-N 0 0 340.379 2.568 50 0 EFAARN Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1 ZINC000000062974 209395753 /nfs/dbraw/zinc/39/57/53/209395753.db2.gz KIRNBQAQITVWQW-WBVHZDCISA-N 0 0 340.379 2.568 50 0 EFAARN O=C([C@H](O)c1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000072424654 216215121 /nfs/dbraw/zinc/21/51/21/216215121.db2.gz HPCGZLKPHQFQGC-GOSISDBHSA-N 0 0 329.371 2.929 50 0 EFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1F ZINC000000053951 209392409 /nfs/dbraw/zinc/39/24/09/209392409.db2.gz ONEKLGLPVXMHRJ-UHFFFAOYSA-N 0 0 329.360 2.532 50 0 EFAARN CC1=NN(C(=O)c2ccc(N)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000000052558 209391812 /nfs/dbraw/zinc/39/18/12/209391812.db2.gz HFZMVGBQSRASGN-KRWDZBQOSA-N 0 0 329.787 2.989 50 0 EFAARN CCN1CC2(CC1=O)CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 ZINC000072428160 216219600 /nfs/dbraw/zinc/21/96/00/216219600.db2.gz CWWNLWQBUMBBOS-QGZVFWFLSA-N 0 0 340.467 2.968 50 0 EFAARN Cc1nn(CCO)cc1CN1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072429196 216220731 /nfs/dbraw/zinc/22/07/31/216220731.db2.gz AACKGKBJTRJIJA-UHFFFAOYSA-N 0 0 344.846 2.877 50 0 EFAARN Cc1cc(C)cc(N2CCN(C(=O)c3cccc(C)c3O)CC2=O)c1 ZINC000072426581 216217793 /nfs/dbraw/zinc/21/77/93/216217793.db2.gz SHMIFEVLPJUFCJ-UHFFFAOYSA-N 0 0 338.407 2.806 50 0 EFAARN Cc1nc(CC2CCN(c3cc(C)nc4c(C)c(C)nn43)CC2)no1 ZINC000072433734 216228377 /nfs/dbraw/zinc/22/83/77/216228377.db2.gz PZXJGVONUYDYQE-UHFFFAOYSA-N 0 0 340.431 2.805 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)NC[C@H](O)c2ccccc2F)c1 ZINC000072433665 216228430 /nfs/dbraw/zinc/22/84/30/216228430.db2.gz WONALTUBUACHJR-SFHVURJKSA-N 0 0 345.414 2.993 50 0 EFAARN COc1ccc(CN2CCN(Cc3ccc(C)c(F)c3)CC2=O)cc1 ZINC000072433842 216228541 /nfs/dbraw/zinc/22/85/41/216228541.db2.gz HBVQHQWROXUOAQ-UHFFFAOYSA-N 0 0 342.414 2.987 50 0 EFAARN CC(C)(O)CCc1ccc(C(=O)N2CCCn3cncc3C2)cc1 ZINC000072430603 216224060 /nfs/dbraw/zinc/22/40/60/216224060.db2.gz MTNFNCARXZYWMZ-UHFFFAOYSA-N 0 0 327.428 2.633 50 0 EFAARN Cc1cc(NCc2noc(-c3c(F)cccc3F)n2)n2nccc2n1 ZINC000072431321 216224254 /nfs/dbraw/zinc/22/42/54/216224254.db2.gz HJDSILZTZGIOSM-UHFFFAOYSA-N 0 0 342.309 2.978 50 0 EFAARN CCc1cc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)n2nccc2n1 ZINC000072432960 216226928 /nfs/dbraw/zinc/22/69/28/216226928.db2.gz XPYUQUVFOPREBQ-HXUWFJFHSA-N 0 0 348.406 2.906 50 0 EFAARN Cc1nc(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cs1 ZINC000072438601 216233563 /nfs/dbraw/zinc/23/35/63/216233563.db2.gz JFMXIJQRVGJWPZ-UHFFFAOYSA-N 0 0 326.425 2.838 50 0 EFAARN CC(C)(O)CCc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1 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/nfs/dbraw/zinc/02/62/83/242026283.db2.gz BIFYCMNTSQQRAX-ZDUSSCGKSA-N 0 0 340.383 2.642 50 0 EFAARN CCn1cccc1-c1noc(CNC(=O)[C@@H](C)Oc2ccccc2)n1 ZINC000225769868 242026404 /nfs/dbraw/zinc/02/64/04/242026404.db2.gz BIFYCMNTSQQRAX-CYBMUJFWSA-N 0 0 340.383 2.642 50 0 EFAARN CCn1cccc1-c1noc(CNC(=O)c2ccc(N(C)C)cc2)n1 ZINC000225769571 242026884 /nfs/dbraw/zinc/02/68/84/242026884.db2.gz RJIUMFQTEWZPFI-UHFFFAOYSA-N 0 0 339.399 2.554 50 0 EFAARN Cc1nc2ccccn2c1-c1nnc2sc(-c3cccnc3)nn21 ZINC000227143821 242121892 /nfs/dbraw/zinc/12/18/92/242121892.db2.gz ZQUJNHNUDXKZAY-UHFFFAOYSA-N 0 0 333.380 2.871 50 0 EFAARN CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(OC)c(-n2nc(C)cc2C)c1 ZINC000230211593 242249855 /nfs/dbraw/zinc/24/98/55/242249855.db2.gz FKOQFVNUAXYYQD-BLLLJJGKSA-N 0 0 345.443 2.635 50 0 EFAARN COc1ccccc1-c1n[nH]cc1C(=O)N[C@@H](CO)c1ccccc1 ZINC000230216624 242251549 /nfs/dbraw/zinc/25/15/49/242251549.db2.gz JIBVJJZKFSIPBF-INIZCTEOSA-N 0 0 337.379 2.549 50 0 EFAARN CCN(C(=O)COc1cc(C)nc(N2CCCC2)n1)c1ccccc1 ZINC000021360500 212222354 /nfs/dbraw/zinc/22/23/54/212222354.db2.gz UBNVHXMFDZRUID-UHFFFAOYSA-N 0 0 340.427 2.817 50 0 EFAARN Cc1cc(OCC(=O)Nc2ccc(C)c(F)c2)nc(N2CCCC2)n1 ZINC000021360654 212222148 /nfs/dbraw/zinc/22/21/48/212222148.db2.gz NNVQHQNHANCYHF-UHFFFAOYSA-N 0 0 344.390 2.850 50 0 EFAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2F)nc(N2CCCC2)n1 ZINC000021360619 212222152 /nfs/dbraw/zinc/22/21/52/212222152.db2.gz GDZNAIKOSXIKFS-UHFFFAOYSA-N 0 0 348.353 2.681 50 0 EFAARN O=C(COc1ccc(Br)cc1Cl)Nc1ncccn1 ZINC000021124835 212209436 /nfs/dbraw/zinc/20/94/36/212209436.db2.gz OGNHFFZMTFJNOO-UHFFFAOYSA-N 0 0 342.580 2.910 50 0 EFAARN c1csc([C@@H]2C[C@H](c3ccc4c(c3)OCO4)Nc3nnnn32)c1 ZINC000021117055 212208288 /nfs/dbraw/zinc/20/82/88/212208288.db2.gz FNXOFKILKVODRA-MNOVXSKESA-N 0 0 327.369 2.610 50 0 EFAARN O=C(c1ccc(NCCO)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000020999627 212198994 /nfs/dbraw/zinc/19/89/94/212198994.db2.gz ZKLRBSXTPCOAKR-QGZVFWFLSA-N 0 0 339.439 2.896 50 0 EFAARN OCC[C@H]1CN(Cc2cccc(O)c2)CCN1Cc1ccc(F)cc1 ZINC000020999707 212198999 /nfs/dbraw/zinc/19/89/99/212198999.db2.gz MGOJMVKCBIXDJP-IBGZPJMESA-N 0 0 344.430 2.600 50 0 EFAARN CC(C)CN(C)c1ccc(C(=O)NCc2noc(C(C)C)n2)cn1 ZINC000020996858 212196425 /nfs/dbraw/zinc/19/64/25/212196425.db2.gz DIZDNTMDTTXHRW-UHFFFAOYSA-N 0 0 331.420 2.610 50 0 EFAARN Cc1ncsc1CCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000020992193 212195168 /nfs/dbraw/zinc/19/51/68/212195168.db2.gz KIXPBBUBSGZTQC-CQSZACIVSA-N 0 0 349.500 2.682 50 0 EFAARN O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cccc2c1OCCO2 ZINC000240824827 242977957 /nfs/dbraw/zinc/97/79/57/242977957.db2.gz QLDQAFLUUXAZDY-OZVIIMIRSA-N 0 0 345.420 2.761 50 0 EFAARN Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000020909647 212186773 /nfs/dbraw/zinc/18/67/73/212186773.db2.gz QQGMBWDUHNHIGY-AWEZNQCLSA-N 0 0 336.395 2.637 50 0 EFAARN O=C(Cc1ccc2c(c1)OCO2)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 ZINC000244700943 243060253 /nfs/dbraw/zinc/06/02/53/243060253.db2.gz 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CN(Cc1cc(-c2ccccn2)no1)Cc1noc([C@H]2CCCO2)n1 ZINC000243914708 243032916 /nfs/dbraw/zinc/03/29/16/243032916.db2.gz BJURWLKTKXZWEL-OAHLLOKOSA-N 0 0 341.371 2.603 50 0 EFAARN C[C@@H]1CNC(=O)CCN1C(=O)Cc1ccc2c(c1)c1ccccc1n2C ZINC000243932671 243035083 /nfs/dbraw/zinc/03/50/83/243035083.db2.gz BXQGOMJHCNRTLL-CQSZACIVSA-N 0 0 349.434 2.611 50 0 EFAARN COc1ccc(F)cc1[C@@H](NC(=O)NC1CCCC1)[C@H]1C[C@@H](O)C1 ZINC000243932485 243036136 /nfs/dbraw/zinc/03/61/36/243036136.db2.gz BVVOFTNMJCTBHC-KHIZAZIESA-N 0 0 336.407 2.888 50 0 EFAARN CN(CCc1noc(C2CC2)n1)C(=O)CC1Cc2ccccc2C1 ZINC000243932491 243036528 /nfs/dbraw/zinc/03/65/28/243036528.db2.gz BWBHLYVIRDRWCA-UHFFFAOYSA-N 0 0 325.412 2.753 50 0 EFAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000244218984 243038181 /nfs/dbraw/zinc/03/81/81/243038181.db2.gz VYSFJDALUXEEDD-UHFFFAOYSA-N 0 0 342.892 2.979 50 0 EFAARN CC[C@H](C(=O)NC1CCCC1)N(C)Cc1cnc2ccccc2n1 ZINC000244564004 243039000 /nfs/dbraw/zinc/03/90/00/243039000.db2.gz CLARUUHOUXRPOJ-GOSISDBHSA-N 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IGRLCNXDSLBISX-PHIMTYICSA-N 0 0 343.818 2.867 50 0 EFAARN Cc1n[nH]c(CCC(=O)NCC2(c3ccccc3)CCOCC2)c1C ZINC000244764030 243076599 /nfs/dbraw/zinc/07/65/99/243076599.db2.gz PABGNRCIDXMUCG-UHFFFAOYSA-N 0 0 341.455 2.824 50 0 EFAARN O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cccc2nccnc21 ZINC000244763801 243076963 /nfs/dbraw/zinc/07/69/63/243076963.db2.gz OVWWPPLVLSRBBM-GPMSIDNRSA-N 0 0 347.418 2.742 50 0 EFAARN Cc1csc(CCCNC(=O)CCc2[nH]nc3c2CCCC3)n1 ZINC000244773944 243078898 /nfs/dbraw/zinc/07/88/98/243078898.db2.gz PJEQUCSIHJURER-UHFFFAOYSA-N 0 0 332.473 2.735 50 0 EFAARN Cc1cccc(-c2cccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[N@H+](C)C3)c2)c1 ZINC000244787708 243080993 /nfs/dbraw/zinc/08/09/93/243080993.db2.gz QCCXDRUCLKTPFL-ROUUACIJSA-N 0 0 338.407 2.549 50 0 EFAARN Cc1oc2c(c1C(=O)NCCCn1cc(Cl)cn1)C(=O)CCC2 ZINC000244794530 243082179 /nfs/dbraw/zinc/08/21/79/243082179.db2.gz QONQHGOOFAYYNN-UHFFFAOYSA-N 0 0 335.791 2.777 50 0 EFAARN CC[C@H](C)c1ccc(NC(=O)CN2CCC3(CNC(=O)C3)CC2)cc1 ZINC000244875048 243093389 /nfs/dbraw/zinc/09/33/89/243093389.db2.gz XLRSXVLWOOXJKT-HNNXBMFYSA-N 0 0 343.471 2.741 50 0 EFAARN CC(C)CCNC(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000020762777 212170487 /nfs/dbraw/zinc/17/04/87/212170487.db2.gz SIVALKUVZKPYHR-UHFFFAOYSA-N 0 0 341.455 2.995 50 0 biogenic EFAARN O=C(Cc1nc2ccccc2[nH]1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 ZINC000244884226 243097241 /nfs/dbraw/zinc/09/72/41/243097241.db2.gz YHWHQFJYXMVOKF-IUUKEHGRSA-N 0 0 341.436 2.795 50 0 EFAARN CCCn1cc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)n1 ZINC000020785411 212172494 /nfs/dbraw/zinc/17/24/94/212172494.db2.gz ADJRQDVVFRFIED-CQSZACIVSA-N 0 0 329.448 2.964 50 0 EFAARN CN(Cc1nc2cc(F)ccc2[nH]1)Cc1nnc(-c2cccnc2)o1 ZINC000244735111 243072732 /nfs/dbraw/zinc/07/27/32/243072732.db2.gz NTCQBWNIXRKUIA-UHFFFAOYSA-N 0 0 338.346 2.779 50 0 EFAARN Cc1nc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)sc1C ZINC000020723872 212165747 /nfs/dbraw/zinc/16/57/47/212165747.db2.gz GCXGBDIVVJWSFM-ZFWWWQNUSA-N 0 0 329.425 2.918 50 0 EFAARN COc1ccc(CCNC(=O)c2ccccc2NC(C)=O)cc1OC ZINC000020762447 212169875 /nfs/dbraw/zinc/16/98/75/212169875.db2.gz NNLDGRMQKWUSDN-UHFFFAOYSA-N 0 0 342.395 2.635 50 0 biogenic EFAARN COc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1Cl ZINC000020767554 212169906 /nfs/dbraw/zinc/16/99/06/212169906.db2.gz VHGGDPCHCXFLOI-UHFFFAOYSA-N 0 0 349.799 2.979 50 0 EFAARN CC(C)CC(=O)N1CCN(C(=O)c2cc3ccccc3n2C)CC1 ZINC000020745945 212168594 /nfs/dbraw/zinc/16/85/94/212168594.db2.gz TVVLYNCGIXPTAR-UHFFFAOYSA-N 0 0 327.428 2.509 50 0 EFAARN Cn1c(C(=O)NCCNC(=O)/C=C/c2ccccc2)cc2ccccc21 ZINC000020745293 212168403 /nfs/dbraw/zinc/16/84/03/212168403.db2.gz FWDRGBVLGKMRQG-VAWYXSNFSA-N 0 0 347.418 2.738 50 0 EFAARN COc1ccc(CC(=O)N[C@H](c2nnc3ccccn32)C(C)C)cc1 ZINC000020745630 212167864 /nfs/dbraw/zinc/16/78/64/212167864.db2.gz NKADJPPBLSGZAN-SFHVURJKSA-N 0 0 338.411 2.794 50 0 EFAARN O=C(Cn1ccc2cc(Br)ccc21)N1CCSCC1 ZINC000020718590 212163850 /nfs/dbraw/zinc/16/38/50/212163850.db2.gz JQQUNJVYZTZMRS-UHFFFAOYSA-N 0 0 339.258 2.979 50 0 EFAARN Cc1csc(NC(=O)CSCc2nc3ccccc3c(=O)[nH]2)n1 ZINC000020719533 212163483 /nfs/dbraw/zinc/16/34/83/212163483.db2.gz LTXPRDFVCUVJHH-UHFFFAOYSA-N 0 0 346.437 2.560 50 0 EFAARN Cn1c(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc2ccccc21 ZINC000020719759 212163494 /nfs/dbraw/zinc/16/34/94/212163494.db2.gz RRNIZZZZPKIIFP-UHFFFAOYSA-N 0 0 327.428 2.509 50 0 EFAARN Fc1ccc(CCNc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000020729712 212165104 /nfs/dbraw/zinc/16/51/04/212165104.db2.gz HZKWYRLIEUUBBJ-UHFFFAOYSA-N 0 0 325.269 2.937 50 0 EFAARN CCC(=O)c1ccc(OCCOCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020653077 212160884 /nfs/dbraw/zinc/16/08/84/212160884.db2.gz UICDOCVLHLVQHL-HOTGVXAUSA-N 0 0 335.444 2.784 50 0 EFAARN C[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000020617111 212156026 /nfs/dbraw/zinc/15/60/26/212156026.db2.gz UJESYYKHGJLXKB-NEPJUHHUSA-N 0 0 336.480 2.749 50 0 EFAARN O=C(CCn1ccc(C(=O)NC2CCCCC2)n1)NC1CCCCC1 ZINC000020617674 212155707 /nfs/dbraw/zinc/15/57/07/212155707.db2.gz VDXMXXUTQBMXBK-UHFFFAOYSA-N 0 0 346.475 2.785 50 0 EFAARN Cc1nn(Cc2ccc(C(=O)NC3CC3)o2)c(C)c1Br ZINC000020606860 212154266 /nfs/dbraw/zinc/15/42/66/212154266.db2.gz UZKUTEGQINBHED-UHFFFAOYSA-N 0 0 338.205 2.796 50 0 EFAARN CC[C@@H](C(=O)Nc1ccnn1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607590 212153813 /nfs/dbraw/zinc/15/38/13/212153813.db2.gz UYHMJRQUHOFACD-JTQLQIEISA-N 0 0 341.337 2.714 50 0 EFAARN O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCSCC1 ZINC000020606106 212153974 /nfs/dbraw/zinc/15/39/74/212153974.db2.gz MBRPWNXUHDTBAF-UHFFFAOYSA-N 0 0 337.832 2.762 50 0 EFAARN COCCn1c2nc(C3CC3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604863 212152972 /nfs/dbraw/zinc/15/29/72/212152972.db2.gz CMNUNZJKJUBCRC-UHFFFAOYSA-N 0 0 345.346 2.997 50 0 EFAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)n(C2CCCCC2)n1 ZINC000020600057 212151331 /nfs/dbraw/zinc/15/13/31/212151331.db2.gz DNNAZIJBKQYCAC-CQSZACIVSA-N 0 0 332.448 2.892 50 0 EFAARN CCCCS(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000020594866 212150462 /nfs/dbraw/zinc/15/04/62/212150462.db2.gz YAVSGJBFCCZFRM-UHFFFAOYSA-N 0 0 330.881 2.588 50 0 EFAARN O=C1CCSc2ccc(S(=O)(=O)NC3CCCCC3)cc2N1 ZINC000020578646 212148845 /nfs/dbraw/zinc/14/88/45/212148845.db2.gz RCKPMFUFGHOTJR-UHFFFAOYSA-N 0 0 340.470 2.732 50 0 EFAARN C[C@@H]1CN(CC(=O)Nc2nnc(C3CCCCC3)s2)C[C@@H](C)O1 ZINC000020572506 212147755 /nfs/dbraw/zinc/14/77/55/212147755.db2.gz BPMUMPXELWYDOF-VXGBXAGGSA-N 0 0 338.477 2.634 50 0 EFAARN CCOC(=O)N1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000020541353 212145809 /nfs/dbraw/zinc/14/58/09/212145809.db2.gz LHHKNBINENJLBP-UHFFFAOYSA-N 0 0 335.429 2.986 50 0 EFAARN CNC(=O)Cn1ccc(-c2cccc(-c3cnc4ccccc4n3)c2)n1 ZINC000020536252 212144332 /nfs/dbraw/zinc/14/43/32/212144332.db2.gz UBVWBSCRAYOFPM-UHFFFAOYSA-N 0 0 343.390 2.906 50 0 EFAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000020530081 212143844 /nfs/dbraw/zinc/14/38/44/212143844.db2.gz PCPOVYYXYWDZOG-INIZCTEOSA-N 0 0 348.399 2.618 50 0 EFAARN O=C(Nc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000020530082 212144011 /nfs/dbraw/zinc/14/40/11/212144011.db2.gz PCPOVYYXYWDZOG-MRXNPFEDSA-N 0 0 348.399 2.618 50 0 EFAARN O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccccc1Cl ZINC000020508051 212141599 /nfs/dbraw/zinc/14/15/99/212141599.db2.gz ZKASNSJDCKWVMW-UHFFFAOYSA-N 0 0 333.819 2.689 50 0 EFAARN O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(-n2cccc2)cc1 ZINC000253397149 284096455 /nfs/dbraw/zinc/09/64/55/284096455.db2.gz FJRQEOAVMYKQLJ-NJAFHUGGSA-N 0 0 326.396 2.544 50 0 EFAARN O=C(c1ccc(F)c(F)c1)N1CC(COc2ccc3c(c2)OCO3)C1 ZINC000252481548 243768931 /nfs/dbraw/zinc/76/89/31/243768931.db2.gz CNWNKUFDPRBGFO-UHFFFAOYSA-N 0 0 347.317 2.845 50 0 EFAARN Cc1nc(CCN2CCc3nc[nH]c3[C@@H]2c2ccccn2)cs1 ZINC000252488246 243786450 /nfs/dbraw/zinc/78/64/50/243786450.db2.gz IOCPSTVEBJXSTB-KRWDZBQOSA-N 0 0 325.441 2.760 50 0 EFAARN Cc1occc1C(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000252551400 243859051 /nfs/dbraw/zinc/85/90/51/243859051.db2.gz UEKNHVMKFFWBST-DAYGRLMNSA-N 0 0 327.380 2.765 50 0 EFAARN Cc1noc([C@@H]2CN(C(=O)Cn3cccc3)C[C@H]2c2ccccc2)n1 ZINC000253407074 243915154 /nfs/dbraw/zinc/91/51/54/243915154.db2.gz VOWYSYFYUOCZSZ-DLBZAZTESA-N 0 0 336.395 2.589 50 0 EFAARN CC(C)[C@@H](CO)NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253402611 243909454 /nfs/dbraw/zinc/90/94/54/243909454.db2.gz GMZWMDSAAOHWND-FHLIZLRMSA-N 0 0 331.456 2.835 50 0 EFAARN COCCOc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)ccn1 ZINC000253471366 243991751 /nfs/dbraw/zinc/99/17/51/243991751.db2.gz BWYYIEZQIVHFIN-UHFFFAOYSA-N 0 0 339.395 2.827 50 0 EFAARN C[C@]1(C(=O)N2CCN(CCc3ccccc3)CC2)CC1(Cl)Cl ZINC000020472599 212136002 /nfs/dbraw/zinc/13/60/02/212136002.db2.gz KKRUJNOKXCJHQF-MRXNPFEDSA-N 0 0 341.282 2.957 50 0 EFAARN C[C@@]1(C(=O)N2CCN(CCc3ccccc3)CC2)CC1(Cl)Cl ZINC000020472597 212136040 /nfs/dbraw/zinc/13/60/40/212136040.db2.gz KKRUJNOKXCJHQF-INIZCTEOSA-N 0 0 341.282 2.957 50 0 EFAARN O=C(CCSCc1ccccc1)N[C@H]1C[C@H](c2cc(=O)[nH]cn2)C1 ZINC000253535212 244008359 /nfs/dbraw/zinc/00/83/59/244008359.db2.gz HPOTYIJTXAIXBB-SHTZXODSSA-N 0 0 343.452 2.868 50 0 EFAARN O=C(CC1=CCCC1)N[C@H]1C[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000253535579 244009136 /nfs/dbraw/zinc/00/91/36/244009136.db2.gz GQKHKIYVFWQOEF-GASCZTMLSA-N 0 0 342.443 2.645 50 0 EFAARN OCC[C@@H]1CN(Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 ZINC000020450451 212130015 /nfs/dbraw/zinc/13/00/15/212130015.db2.gz VKGVOWXKNZHEFV-OAHLLOKOSA-N 0 0 336.382 2.627 50 0 EFAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC(CO)CC1 ZINC000020448737 212129771 /nfs/dbraw/zinc/12/97/71/212129771.db2.gz VZBNVQVBXQILLX-UHFFFAOYSA-N 0 0 341.436 2.907 50 0 EFAARN C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)CO ZINC000253592281 244028558 /nfs/dbraw/zinc/02/85/58/244028558.db2.gz XWYBFXIUISNTQG-XCPBXTNGSA-N 0 0 348.483 2.747 50 0 EFAARN O=C(CN1CCN(Cc2ccco2)CC1)Nc1cccc(Cl)c1 ZINC000020437473 212129380 /nfs/dbraw/zinc/12/93/80/212129380.db2.gz JBTZBPMZFKQKFT-UHFFFAOYSA-N 0 0 333.819 2.689 50 0 EFAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000253614756 244039804 /nfs/dbraw/zinc/03/98/04/244039804.db2.gz AYEXSTRNLGYBSQ-LAMJPENXSA-N 0 0 348.483 2.889 50 0 EFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000020402169 212125303 /nfs/dbraw/zinc/12/53/03/212125303.db2.gz XDHBBQIXZPIAEB-KRWDZBQOSA-N 0 0 344.361 2.886 50 0 EFAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000020310906 212118116 /nfs/dbraw/zinc/11/81/16/212118116.db2.gz JHGZODVPDWMJKI-SFHVURJKSA-N 0 0 326.396 2.707 50 0 EFAARN COc1ccc(CCNC(=O)NCC[C@@H](O)c2cccs2)cc1 ZINC000077116069 216840622 /nfs/dbraw/zinc/84/06/22/216840622.db2.gz YCLXRNOQBNLWRG-OAHLLOKOSA-N 0 0 334.441 2.722 50 0 EFAARN CC(=O)N1CCN(Cc2nc(-c3cccc(F)c3F)oc2C)CC1 ZINC000020232167 212113309 /nfs/dbraw/zinc/11/33/09/212113309.db2.gz NRHBGKCNFXWOHI-UHFFFAOYSA-N 0 0 335.354 2.592 50 0 EFAARN Clc1ccc2[nH]c3c(ncnc3NCCCN3CCOCC3)c2c1 ZINC000020191037 212109123 /nfs/dbraw/zinc/10/91/23/212109123.db2.gz ULJISGNQAXNPOC-UHFFFAOYSA-N 0 0 345.834 2.899 50 0 aggregator,in-vivo EFAARN CCOC(=O)NC(NCc1ccco1)(C(F)(F)F)C(F)(F)F ZINC000020167874 212108694 /nfs/dbraw/zinc/10/86/94/212108694.db2.gz BACKIXGGNOZETE-UHFFFAOYSA-N 0 0 334.216 2.936 50 0 EFAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c(F)c1 ZINC000020103386 212101383 /nfs/dbraw/zinc/10/13/83/212101383.db2.gz XSNWJWOXXQGIGW-HNNXBMFYSA-N 0 0 338.342 2.660 50 0 EFAARN CCOc1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 ZINC000020119918 212103942 /nfs/dbraw/zinc/10/39/42/212103942.db2.gz SIVIJUIHHIOROO-UHFFFAOYSA-N 0 0 326.396 2.603 50 0 EFAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccccn1)N(C)CC3)OCO2 ZINC000020111680 212103550 /nfs/dbraw/zinc/10/35/50/212103550.db2.gz FPJDLQJHYYMUBN-CQSZACIVSA-N 0 0 340.379 2.621 50 0 biogenic EFAARN CCC(=O)c1c(C)nc2n(CCN3CCOCC3)c3ccccc3n21 ZINC000020058095 212099051 /nfs/dbraw/zinc/09/90/51/212099051.db2.gz QZTVIDDQFOLBCJ-UHFFFAOYSA-N 0 0 340.427 2.522 50 0 EFAARN CCc1nc(SCC(=O)Nc2cccc(C(=O)OC)c2)[nH]c1C ZINC000020095091 212100503 /nfs/dbraw/zinc/10/05/03/212100503.db2.gz KMHUCPFKLRFOLC-UHFFFAOYSA-N 0 0 333.413 2.798 50 0 EFAARN COCC1(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CCC1 ZINC000077298013 216866182 /nfs/dbraw/zinc/86/61/82/216866182.db2.gz LJIYGHWZKGEZTO-SFHVURJKSA-N 0 0 331.456 2.645 50 0 EFAARN CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(N)=O)c2=N)cc1 ZINC000020100710 212100644 /nfs/dbraw/zinc/10/06/44/212100644.db2.gz XZOIWLBDTQWIFZ-UHFFFAOYSA-N 0 0 336.439 2.753 50 0 EFAARN CCc1nc(SCC(=O)Nc2ccccc2C(=O)OC)[nH]c1C ZINC000020095089 212100286 /nfs/dbraw/zinc/10/02/86/212100286.db2.gz RZYOYJXCQRSYCJ-UHFFFAOYSA-N 0 0 333.413 2.798 50 0 EFAARN O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCOCC1 ZINC000020100597 212100432 /nfs/dbraw/zinc/10/04/32/212100432.db2.gz NWVVULBRUQBXDN-UHFFFAOYSA-N 0 0 340.826 2.550 50 0 EFAARN Cc1cc(C)cc(CN2CCN(C(=O)CSCC3CC3)CC2=O)c1 ZINC000077298519 216866891 /nfs/dbraw/zinc/86/68/91/216866891.db2.gz AIVMLOQFXFQGEF-UHFFFAOYSA-N 0 0 346.496 2.617 50 0 EFAARN Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c1 ZINC000020102402 212100114 /nfs/dbraw/zinc/10/01/14/212100114.db2.gz OHTNRKPVWGBPFW-INIZCTEOSA-N 0 0 334.379 2.829 50 0 EFAARN Cc1cc(C)cc(N2CCN(C(=O)CCc3cccnc3)CC2=O)c1 ZINC000077355137 216879757 /nfs/dbraw/zinc/87/97/57/216879757.db2.gz REPMJRJKWRVTTQ-UHFFFAOYSA-N 0 0 337.423 2.506 50 0 EFAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cn2ccsc2n1 ZINC000077356398 216881443 /nfs/dbraw/zinc/88/14/43/216881443.db2.gz LBKOJHMQQUIBPV-CQSZACIVSA-N 0 0 340.452 2.994 50 0 EFAARN CCCCCCN1CC2(CCN(C(=O)[C@H]3CCCO3)CC2)OC1=O ZINC000077342099 216876156 /nfs/dbraw/zinc/87/61/56/216876156.db2.gz MKIYAEBAWVGOBH-OAHLLOKOSA-N 0 0 338.448 2.559 50 0 EFAARN Cc1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)sc1C ZINC000019939213 212087696 /nfs/dbraw/zinc/08/76/96/212087696.db2.gz IAAODWLSWRKHAS-CYBMUJFWSA-N 0 0 335.473 2.557 50 0 EFAARN O=C(Nc1ccc(CN2CCOCC2)cc1)C(Cl)(Cl)Cl ZINC000019938172 212087700 /nfs/dbraw/zinc/08/77/00/212087700.db2.gz NWMMTZVMYOFUHO-UHFFFAOYSA-N 0 0 337.634 2.828 50 0 EFAARN C[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000019956779 212089652 /nfs/dbraw/zinc/08/96/52/212089652.db2.gz DEQCLMVGATVMOO-NTZNESFSSA-N 0 0 334.243 2.842 50 0 EFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)c1 ZINC000077393922 216893341 /nfs/dbraw/zinc/89/33/41/216893341.db2.gz WHQZHWMHUDTAPO-QGZVFWFLSA-N 0 0 341.411 2.820 50 0 EFAARN CCCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C ZINC000019909507 212083054 /nfs/dbraw/zinc/08/30/54/212083054.db2.gz XQZHRDGANJZBRL-UHFFFAOYSA-N 0 0 327.446 2.585 50 0 EFAARN O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccccc1O ZINC000019910900 212082526 /nfs/dbraw/zinc/08/25/26/212082526.db2.gz XDXPOYRPQUTQAH-UHFFFAOYSA-N 0 0 335.157 2.732 50 0 EFAARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 ZINC000000352586 304151195 /nfs/dbraw/zinc/15/11/95/304151195.db2.gz MDXJJOKTGDJRNN-WMLDXEAASA-N 0 0 336.347 2.585 50 0 biogenic EFAARN Cc1scc(C(=O)N2CCOC[C@@H](CO)C2)c1-c1ccccc1 ZINC000077420456 216898791 /nfs/dbraw/zinc/89/87/91/216898791.db2.gz 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/nfs/dbraw/zinc/06/96/69/212069669.db2.gz KQJSTAUXKLEDPF-UHFFFAOYSA-N 0 0 328.347 2.920 50 0 EFAARN Cc1cccc(CN2CCN(Cc3ccsc3)C[C@@H]2CCO)n1 ZINC000019790638 212068139 /nfs/dbraw/zinc/06/81/39/212068139.db2.gz JQMSLRZJSFHBAF-SFHVURJKSA-N 0 0 331.485 2.520 50 0 EFAARN O=C(c1cccc(-c2cccc(F)c2)c1)N1CCOC[C@H](CO)C1 ZINC000077506116 216923698 /nfs/dbraw/zinc/92/36/98/216923698.db2.gz UTAKQCYXARDBKN-AWEZNQCLSA-N 0 0 329.371 2.574 50 0 EFAARN COc1ccccc1CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000019773477 212064870 /nfs/dbraw/zinc/06/48/70/212064870.db2.gz OBRGWQPGOUVPJH-UHFFFAOYSA-N 0 0 328.387 2.792 50 0 EFAARN COc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000019789321 212066373 /nfs/dbraw/zinc/06/63/73/212066373.db2.gz SVUYVRWZXZUHDU-UHFFFAOYSA-N 0 0 328.387 2.792 50 0 EFAARN Cc1ncc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cn1 ZINC000019771197 212063272 /nfs/dbraw/zinc/06/32/72/212063272.db2.gz VDTZDPPMCWAVNF-UHFFFAOYSA-N 0 0 348.454 2.804 50 0 EFAARN COc1ccccc1CN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019774044 212064285 /nfs/dbraw/zinc/06/42/85/212064285.db2.gz QXUDSVVJSOGRTK-UHFFFAOYSA-N 0 0 328.387 2.792 50 0 EFAARN Cc1c(Br)c(C2N=NC(=S)N2CC(C)C)nn1C ZINC000000204511 291482481 /nfs/dbraw/zinc/48/24/81/291482481.db2.gz CTJPGOQTLRAKFQ-UHFFFAOYSA-N 0 0 330.255 2.694 50 0 EFAARN O=C(c1cc(Cl)ccc1F)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000019720808 212058129 /nfs/dbraw/zinc/05/81/29/212058129.db2.gz QWPJKRFEBLDMMY-INIZCTEOSA-N 0 0 346.789 2.662 50 0 EFAARN COc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000019691343 212056118 /nfs/dbraw/zinc/05/61/18/212056118.db2.gz DSLGAJMFXNXJAZ-UHFFFAOYSA-N 0 0 326.396 2.780 50 0 EFAARN COc1ccc([C@H](O)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019707067 212055898 /nfs/dbraw/zinc/05/58/98/212055898.db2.gz CUWKFBOJUXTVAS-UXHICEINSA-N 0 0 327.424 2.845 50 0 EFAARN COc1ccc([C@@H](O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019707061 212055167 /nfs/dbraw/zinc/05/51/67/212055167.db2.gz CUWKFBOJUXTVAS-VQTJNVASSA-N 0 0 327.424 2.845 50 0 EFAARN CCOC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019634117 212053565 /nfs/dbraw/zinc/05/35/65/212053565.db2.gz FWOVBVWZSPCVNJ-UHFFFAOYSA-N 0 0 327.222 2.723 50 0 EFAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccnc2)N1C(C)=O ZINC000003999808 284192824 /nfs/dbraw/zinc/19/28/24/284192824.db2.gz YMCWCLRXXOQHBC-PKOBYXMFSA-N 0 0 349.390 2.599 50 0 biogenic EFAARN CCc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1OC ZINC000019619319 212051544 /nfs/dbraw/zinc/05/15/44/212051544.db2.gz RYXXAVDGGCUPMD-UHFFFAOYSA-N 0 0 344.436 2.709 50 0 EFAARN COc1ccc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000019555340 212040551 /nfs/dbraw/zinc/04/05/51/212040551.db2.gz DARBVERIBHVAMJ-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 EFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c[nH]c2ccccc21 ZINC000019418889 212026660 /nfs/dbraw/zinc/02/66/60/212026660.db2.gz OYIYJVINXLABDJ-UHFFFAOYSA-N 0 0 340.379 2.749 50 0 EFAARN O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000019335185 212018288 /nfs/dbraw/zinc/01/82/88/212018288.db2.gz YLERWQXUOJLMFJ-ZDUSSCGKSA-N 0 0 337.217 2.567 50 0 EFAARN Cc1cccc2c(C)nc(NC3=NCN(Cc4ccco4)CN3)nc12 ZINC000019330717 212016377 /nfs/dbraw/zinc/01/63/77/212016377.db2.gz LXRYLQSQYJHEIK-UHFFFAOYSA-N 0 0 336.399 2.628 50 0 EFAARN CC(C)CC(=O)N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl ZINC000019315750 212015019 /nfs/dbraw/zinc/01/50/19/212015019.db2.gz OJDWWJSHQZGKCJ-ONGXEEELSA-N 0 0 331.671 2.614 50 0 EFAARN CC(C)C(=O)N[C@@H](N1C[C@@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl ZINC000019315829 212015078 /nfs/dbraw/zinc/01/50/78/212015078.db2.gz MSUUUUMWMGOARJ-NGZCFLSTSA-N 0 0 331.671 2.564 50 0 EFAARN CC(C)(C)C(=O)N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl ZINC000019315778 212015081 /nfs/dbraw/zinc/01/50/81/212015081.db2.gz NXYYQONZMYUYCX-IUCAKERBSA-N 0 0 331.671 2.614 50 0 EFAARN O=C(c1cnccn1)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049431095 214007505 /nfs/dbraw/zinc/00/75/05/214007505.db2.gz APJMXGJBOXRRSV-UHFFFAOYSA-N 0 0 340.408 2.770 50 0 EFAARN Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1ccccn1 ZINC000049551400 214019162 /nfs/dbraw/zinc/01/91/62/214019162.db2.gz VEGJSIMQWIWXSB-UHFFFAOYSA-N 0 0 335.363 2.612 50 0 EFAARN c1nc2sc3c(c2c(NCCCN2CCOCC2)n1)CCCC3 ZINC000019300382 212013881 /nfs/dbraw/zinc/01/38/81/212013881.db2.gz IAHMARGGZULNOX-UHFFFAOYSA-N 0 0 332.473 2.704 50 0 EFAARN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cccs1 ZINC000078582301 217080813 /nfs/dbraw/zinc/08/08/13/217080813.db2.gz VSVKFYXRHRLMCD-UHFFFAOYSA-N 0 0 335.410 2.619 50 0 EFAARN CC(C)CCC[C@@H](C)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000017071743 211953603 /nfs/dbraw/zinc/95/36/03/211953603.db2.gz GVMHGRCLPMCYJH-GFCCVEGCSA-N 0 0 343.518 2.835 50 0 EFAARN CC[C@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000017269323 211961223 /nfs/dbraw/zinc/96/12/23/211961223.db2.gz BQRLBMBRCDQWLX-GASCZTMLSA-N 0 0 348.468 2.901 50 0 EFAARN CCOc1ccc(C)cc1S(=O)(=O)N1CCN=C1c1ccccc1 ZINC000016780300 211935157 /nfs/dbraw/zinc/93/51/57/211935157.db2.gz AZYXVTBPNJEPCN-UHFFFAOYSA-N 0 0 344.436 2.845 50 0 EFAARN CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000016647970 211924516 /nfs/dbraw/zinc/92/45/16/211924516.db2.gz SOPNCIDDMBDGPK-UHFFFAOYSA-N 0 0 342.436 2.529 50 0 EFAARN CC(C)c1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccc(Cl)cc1 ZINC000016651812 211926765 /nfs/dbraw/zinc/92/67/65/211926765.db2.gz OKBSGNHFHXBADY-AWEZNQCLSA-N 0 0 348.834 2.953 50 0 EFAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000016650137 211925665 /nfs/dbraw/zinc/92/56/65/211925665.db2.gz WVCDYSOJDHITSX-UHFFFAOYSA-N 0 0 344.459 2.873 50 0 EFAARN CCCCNS(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 ZINC000016647446 211924007 /nfs/dbraw/zinc/92/40/07/211924007.db2.gz YGZYFLNFOOPPFK-UHFFFAOYSA-N 0 0 338.473 2.781 50 0 EFAARN CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1OC ZINC000016552638 211912203 /nfs/dbraw/zinc/91/22/03/211912203.db2.gz KKPVEQUANGXUOP-UHFFFAOYSA-N 0 0 334.397 2.845 50 0 EFAARN COCCn1c(SCC(=O)OC)nnc1-c1ccc(Cl)cc1 ZINC000016276357 211893583 /nfs/dbraw/zinc/89/35/83/211893583.db2.gz NYLFTDSVIWOYIL-UHFFFAOYSA-N 0 0 341.820 2.510 50 0 EFAARN O=C(C[C@@H]1CC(=O)Oc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000079192212 217200112 /nfs/dbraw/zinc/20/01/12/217200112.db2.gz VPAWFQNLYLJYDE-CYBMUJFWSA-N 0 0 339.347 2.515 50 0 biogenic EFAARN COCCn1ccc2c1cccc2C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000079192906 217200428 /nfs/dbraw/zinc/20/04/28/217200428.db2.gz IZMLJEQMZRMOBO-AWEZNQCLSA-N 0 0 330.428 2.975 50 0 biogenic EFAARN O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccccc1 ZINC000015923333 211868479 /nfs/dbraw/zinc/86/84/79/211868479.db2.gz RYFYCRYLRRRMAD-UHFFFAOYSA-N 0 0 346.346 2.851 50 0 EFAARN Cn1ccc2ccc(C(=O)NCCCc3nnc4ccccn43)cc21 ZINC000079481235 217231943 /nfs/dbraw/zinc/23/19/43/217231943.db2.gz ULEBKRFQUPQTTP-UHFFFAOYSA-N 0 0 333.395 2.584 50 0 EFAARN O=c1ccc(-c2ccco2)nn1CN1CCO[C@@H](c2ccccc2)C1 ZINC000079490498 217232364 /nfs/dbraw/zinc/23/23/64/217232364.db2.gz QIMKSGCWNNZMAV-GOSISDBHSA-N 0 0 337.379 2.534 50 0 EFAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 ZINC000079490385 217232561 /nfs/dbraw/zinc/23/25/61/217232561.db2.gz HYMHVIXQYUJJTB-GFCCVEGCSA-N 0 0 346.818 2.994 50 0 EFAARN COc1ccc(-n2c(CNC(=O)c3ccoc3)nnc2SC)cc1 ZINC000011786122 211247728 /nfs/dbraw/zinc/24/77/28/211247728.db2.gz ZQHQKVHJKQHUBB-UHFFFAOYSA-N 0 0 344.396 2.521 50 0 EFAARN CC(C)Cn1c(CNC(=O)C(C)C)nnc1SCc1ccncc1 ZINC000011785387 211247942 /nfs/dbraw/zinc/24/79/42/211247942.db2.gz GHOAWZBWFJZEDD-UHFFFAOYSA-N 0 0 347.488 2.894 50 0 EFAARN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(F)cc1F ZINC000015081895 211800500 /nfs/dbraw/zinc/80/05/00/211800500.db2.gz YRESRAXUIVSGBX-UHFFFAOYSA-N 0 0 330.294 2.981 50 0 EFAARN CSCCCNC(=O)c1coc(Cn2cnc3ccccc32)n1 ZINC000015064499 211794041 /nfs/dbraw/zinc/79/40/41/211794041.db2.gz BIQHBBDRQQDLBA-UHFFFAOYSA-N 0 0 330.413 2.556 50 0 EFAARN Ic1ccc(I)s1 ZINC000004099308 294777876 /nfs/dbraw/zinc/77/78/76/294777876.db2.gz PNYWRAHWEIOAGK-UHFFFAOYSA-N 0 0 335.935 2.957 50 0 EFAARN O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)c1csnn1 ZINC000014964084 211778943 /nfs/dbraw/zinc/77/89/43/211778943.db2.gz WPHUBZBRMZBAJR-JTQLQIEISA-N 0 0 345.453 2.547 50 0 EFAARN CC(C)CCc1noc(CN2CCCN(C(=O)c3ccco3)CC2)n1 ZINC000014960709 211777819 /nfs/dbraw/zinc/77/78/19/211777819.db2.gz WSFSWUGWMLUABQ-UHFFFAOYSA-N 0 0 346.431 2.599 50 0 EFAARN Cc1cnc(C(=O)N2CCC[C@@](CO)(CCc3ccccc3)C2)cn1 ZINC000014950772 211774504 /nfs/dbraw/zinc/77/45/04/211774504.db2.gz NPTFRVDAIZWFQD-HXUWFJFHSA-N 0 0 339.439 2.633 50 0 EFAARN O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1ccccc1 ZINC000014881372 211769799 /nfs/dbraw/zinc/76/97/99/211769799.db2.gz PIOVFYJLYSVBKM-IBGZPJMESA-N 0 0 326.396 2.568 50 0 EFAARN Cc1ncsc1CCC(=O)N(C)Cc1nc2ccccc2n1C ZINC000082092843 217463355 /nfs/dbraw/zinc/46/33/55/217463355.db2.gz XCEUAUOEVONIBS-UHFFFAOYSA-N 0 0 328.441 2.929 50 0 EFAARN O=C(Nc1ccccc1-c1ccccc1)N1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082114997 217469249 /nfs/dbraw/zinc/46/92/49/217469249.db2.gz WMVUHIOAIKKZFQ-FQEVSTJZSA-N 0 0 349.390 2.624 50 0 EFAARN CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2cccn2)c1C ZINC000082109111 217469629 /nfs/dbraw/zinc/46/96/29/217469629.db2.gz ADDHSLJCQWLGKG-MRXNPFEDSA-N 0 0 329.448 2.883 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1 ZINC000082115139 217470403 /nfs/dbraw/zinc/47/04/03/217470403.db2.gz BNGWBVISGOVQKV-UHFFFAOYSA-N 0 0 341.459 2.500 50 0 EFAARN COc1cccc(OC2CN(C(=O)[C@H]3COc4ccccc4C3)C2)c1 ZINC000082098331 217465038 /nfs/dbraw/zinc/46/50/38/217465038.db2.gz STKMWLZNNVDFAS-OAHLLOKOSA-N 0 0 339.391 2.536 50 0 EFAARN CCC[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)C[C@H]1NC(C)=O ZINC000082106695 217466512 /nfs/dbraw/zinc/46/65/12/217466512.db2.gz VDCDKKRHYYDJTD-UKRRQHHQSA-N 0 0 340.370 2.665 50 0 EFAARN Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cc1O ZINC000082145917 217477530 /nfs/dbraw/zinc/47/75/30/217477530.db2.gz PXWYPCCKOMOXHZ-UHFFFAOYSA-N 0 0 344.798 2.843 50 0 EFAARN Cc1ccc(N2CCN(C(=O)Cc3cccc(F)c3)CC2=O)cc1 ZINC000082147623 217479149 /nfs/dbraw/zinc/47/91/49/217479149.db2.gz WPTYBADXVCYOTA-UHFFFAOYSA-N 0 0 326.371 2.552 50 0 EFAARN CC(=O)NCC[C@H]1CCCCN1C(=O)CCc1ccc(N(C)C)cc1 ZINC000082156782 217479607 /nfs/dbraw/zinc/47/96/07/217479607.db2.gz DLTAXHCNDQLEHL-LJQANCHMSA-N 0 0 345.487 2.593 50 0 EFAARN CSc1ncccc1C(=O)N1CCC[C@H](Cn2ccnc2C)C1 ZINC000082160404 217481397 /nfs/dbraw/zinc/48/13/97/217481397.db2.gz GUFSIQPZTCUWAO-CQSZACIVSA-N 0 0 330.457 2.861 50 0 EFAARN COc1ccccc1OC1CN(C(=O)c2ccc(C(C)=O)s2)C1 ZINC000082133997 217474880 /nfs/dbraw/zinc/47/48/80/217474880.db2.gz YSZWPYZPJAYQGV-UHFFFAOYSA-N 0 0 331.393 2.863 50 0 EFAARN COC(=O)CCCC(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000082137663 217476208 /nfs/dbraw/zinc/47/62/08/217476208.db2.gz WKVSIBYUNGUZGY-CQSZACIVSA-N 0 0 343.427 2.687 50 0 EFAARN Cc1cccc(N2C[C@H](C)N(C(=O)Cc3ccccc3O)CC2=O)c1 ZINC000082137348 217476625 /nfs/dbraw/zinc/47/66/25/217476625.db2.gz IWJBLHMGMAWSJW-HNNXBMFYSA-N 0 0 338.407 2.507 50 0 EFAARN CC[C@H](C)[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)OC ZINC000013769476 211634806 /nfs/dbraw/zinc/63/48/06/211634806.db2.gz XGXLUTDNAGGZCS-FZMZJTMJSA-N 0 0 326.824 2.769 50 0 EFAARN CC[C@@H](C(=O)Nc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711000 211617954 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/nfs/dbraw/zinc/34/78/72/211347872.db2.gz PNEKKFCSOAPUCZ-UHFFFAOYSA-N 0 0 338.367 2.849 50 0 EFAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(O)cc1 ZINC000012322811 211347745 /nfs/dbraw/zinc/34/77/45/211347745.db2.gz ZVSHSIYRCGQNTA-IBGZPJMESA-N 0 0 349.390 2.974 50 0 EFAARN COc1ccc(CNC(=O)c2cn3cc(C)ccc3n2)cc1OC ZINC000012323600 211347311 /nfs/dbraw/zinc/34/73/11/211347311.db2.gz BETODYDXCOKWBU-UHFFFAOYSA-N 0 0 325.368 2.590 50 0 EFAARN O=C(Cc1ccccc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000012323376 211347336 /nfs/dbraw/zinc/34/73/36/211347336.db2.gz YBXILOOIHGTSTP-UHFFFAOYSA-N 0 0 347.418 2.695 50 0 EFAARN CN(C)c1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 ZINC000012319724 211344829 /nfs/dbraw/zinc/34/48/29/211344829.db2.gz ZKBHZWAOGFLODX-INIZCTEOSA-N 0 0 343.471 2.806 50 0 EFAARN O=C(NC[C@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc(F)cc1 ZINC000012313732 211342754 /nfs/dbraw/zinc/34/27/54/211342754.db2.gz PEHIINMZAKQJAV-CYBMUJFWSA-N 0 0 330.359 2.701 50 0 EFAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1Cc1cccnc1 ZINC000012308266 211341293 /nfs/dbraw/zinc/34/12/93/211341293.db2.gz LTDXMMHCKOZATG-IBGZPJMESA-N 0 0 347.422 2.870 50 0 EFAARN O=C(NCCNC(=O)c1cccc2[nH]ccc21)c1c[nH]c2ccccc12 ZINC000012296654 211335762 /nfs/dbraw/zinc/33/57/62/211335762.db2.gz PRGSRSDSJOCTQC-UHFFFAOYSA-N 0 0 346.390 2.809 50 0 biogenic EFAARN C[C@@]1(CCC(=O)NCc2csc(-c3cccs3)n2)CCC(=O)N1 ZINC000012282285 211333914 /nfs/dbraw/zinc/33/39/14/211333914.db2.gz JYWYXJUVFDHCTF-MRXNPFEDSA-N 0 0 349.481 2.937 50 0 EFAARN O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)c1cccs1 ZINC000012279098 211333470 /nfs/dbraw/zinc/33/34/70/211333470.db2.gz GINGDFMVTJDAAN-CQSZACIVSA-N 0 0 337.404 2.939 50 0 EFAARN Cc1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000012246544 211330500 /nfs/dbraw/zinc/33/05/00/211330500.db2.gz VLKIFELBKFINCA-GFCCVEGCSA-N 0 0 339.848 2.940 50 0 EFAARN O=C(c1cnsn1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000012242604 211330088 /nfs/dbraw/zinc/33/00/88/211330088.db2.gz 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/nfs/dbraw/zinc/32/08/64/211320864.db2.gz OMZRHDWTFFGKKD-IBGZPJMESA-N 0 0 348.393 2.716 50 0 EFAARN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cn2cccn2)c1C ZINC000012202324 211320320 /nfs/dbraw/zinc/32/03/20/211320320.db2.gz MDWCUUXIKHQKQR-KRWDZBQOSA-N 0 0 349.438 2.879 50 0 EFAARN COCCCNC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000012138514 211303943 /nfs/dbraw/zinc/30/39/43/211303943.db2.gz JEVSEXDAHWZXMS-UHFFFAOYSA-N 0 0 342.395 2.714 50 0 EFAARN COCCNC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000012138430 211303266 /nfs/dbraw/zinc/30/32/66/211303266.db2.gz UDRAZIFMXBUIBA-UHFFFAOYSA-N 0 0 326.396 2.634 50 0 EFAARN COCCNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000012138417 211302655 /nfs/dbraw/zinc/30/26/55/211302655.db2.gz APTQTAJTGKSBKT-UHFFFAOYSA-N 0 0 332.787 2.969 50 0 EFAARN COCCOc1ccc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1 ZINC000012138036 211301801 /nfs/dbraw/zinc/30/18/01/211301801.db2.gz HHPXDCFHWIJBRP-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN COC(=O)c1cccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000012093832 211290007 /nfs/dbraw/zinc/29/00/07/211290007.db2.gz YKGKGZRVXGOATM-SFHVURJKSA-N 0 0 339.391 2.557 50 0 EFAARN O=C(CCc1cnccn1)N1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000012091971 211289734 /nfs/dbraw/zinc/28/97/34/211289734.db2.gz QIJXFXQQGPQFBV-INIZCTEOSA-N 0 0 345.830 2.533 50 0 EFAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)COC)CC1 ZINC000012072835 211286577 /nfs/dbraw/zinc/28/65/77/211286577.db2.gz PMNCBOYISHXNIQ-UHFFFAOYSA-N 0 0 347.455 2.828 50 0 EFAARN Cc1cc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)c(C)o1 ZINC000012073784 211286617 /nfs/dbraw/zinc/28/66/17/211286617.db2.gz SMKALPOJELXXLI-QGZVFWFLSA-N 0 0 340.423 2.860 50 0 EFAARN O=C(CCc1cccnc1)N1CCO[C@H](Cc2cccc(F)c2)C1 ZINC000012074717 211285782 /nfs/dbraw/zinc/28/57/82/211285782.db2.gz TUOUROULSPOLRA-GOSISDBHSA-N 0 0 328.387 2.623 50 0 EFAARN CC1(C)C[C@H](NC(=O)c2cn(Cc3ccccc3Cl)nn2)CCO1 ZINC000012052658 211285145 /nfs/dbraw/zinc/28/51/45/211285145.db2.gz FXJFDWMNVIRXEA-CYBMUJFWSA-N 0 0 348.834 2.667 50 0 EFAARN CCCNC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000012057167 211284840 /nfs/dbraw/zinc/28/48/40/211284840.db2.gz YBHORYXBAYIVKT-FQEVSTJZSA-N 0 0 343.471 2.929 50 0 EFAARN CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 ZINC000012055680 211284616 /nfs/dbraw/zinc/28/46/16/211284616.db2.gz WUAFFGMCGMNGFR-IRXDYDNUSA-N 0 0 334.391 2.541 50 0 EFAARN COc1ccc(CCNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cc1 ZINC000012057952 211284627 /nfs/dbraw/zinc/28/46/27/211284627.db2.gz BSZLRWWYDWWNNN-INIZCTEOSA-N 0 0 344.455 2.535 50 0 EFAARN O=C([C@@H]1CC=CCC1)N1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012040591 211282419 /nfs/dbraw/zinc/28/24/19/211282419.db2.gz SJDHDZRBLQOIJY-MRXNPFEDSA-N 0 0 330.403 2.743 50 0 EFAARN CCCN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CCC1=O ZINC000012041742 211282473 /nfs/dbraw/zinc/28/24/73/211282473.db2.gz DDFADCUMOPNWIU-UHFFFAOYSA-N 0 0 342.361 2.719 50 0 EFAARN c1ccc2c(c1)C[C@@H](Cc1ccc(N3CCSCC3)nn1)CO2 ZINC000091305279 217991109 /nfs/dbraw/zinc/99/11/09/217991109.db2.gz XFLKTKHYWZGCMA-AWEZNQCLSA-N 0 0 327.453 2.824 50 0 EFAARN COCc1cc(N[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(C)C)ncn1 ZINC000091325786 217994329 /nfs/dbraw/zinc/99/43/29/217994329.db2.gz MVFXIIMYKHJYON-SJORKVTESA-N 0 0 346.475 2.708 50 0 EFAARN CCCCn1ncnc1CCCn1nnc(-c2ccc(F)cc2)n1 ZINC000091493992 218014626 /nfs/dbraw/zinc/01/46/26/218014626.db2.gz HBVNPXOOMGXFGH-UHFFFAOYSA-N 0 0 329.383 2.504 50 0 EFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1 ZINC000012002363 211278273 /nfs/dbraw/zinc/27/82/73/211278273.db2.gz FVKQWHKBAQZZPT-CQSZACIVSA-N 0 0 336.457 2.624 50 0 EFAARN COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(C)=O)C2 ZINC000011974241 211276114 /nfs/dbraw/zinc/27/61/14/211276114.db2.gz MQSBLVDCVSAYRI-HNNXBMFYSA-N 0 0 339.391 2.888 50 0 EFAARN CC[C@@H](COC)Nc1ncnc2sc(C(=O)NC3CC3)c(C)c21 ZINC000011972364 211276262 /nfs/dbraw/zinc/27/62/62/211276262.db2.gz WIGBQEXMBSXXTO-JTQLQIEISA-N 0 0 334.445 2.729 50 0 EFAARN Cc1nnc(=O)[nH]c1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000011990582 211275310 /nfs/dbraw/zinc/27/53/10/211275310.db2.gz ACJJUBFXFIEDDX-UHFFFAOYSA-N 0 0 345.211 2.923 50 0 EFAARN O=C(NCc1nccs1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000091416691 218001883 /nfs/dbraw/zinc/00/18/83/218001883.db2.gz GJFAQXGJSXIAMH-ZDUSSCGKSA-N 0 0 335.473 2.721 50 0 EFAARN O=C(C[C@@H]1CCc2ccccc21)N1CCN(C2CCCC2)C(=O)C1 ZINC000091416825 218002405 /nfs/dbraw/zinc/00/24/05/218002405.db2.gz VJOIPJKGZDFWRA-INIZCTEOSA-N 0 0 326.440 2.720 50 0 EFAARN COCCn1ccnc1[C@H]1CCCN(C(=O)c2cccn2C2CC2)C1 ZINC000091425733 218004410 /nfs/dbraw/zinc/00/44/10/218004410.db2.gz BLAQPCVATLMJHW-HNNXBMFYSA-N 0 0 342.443 2.686 50 0 EFAARN CN(Cc1ccsc1)C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 ZINC000011936868 211272469 /nfs/dbraw/zinc/27/24/69/211272469.db2.gz AMIPEVMFPTZMAG-HNNXBMFYSA-N 0 0 343.452 2.540 50 0 EFAARN CCCCOC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000091434109 218004790 /nfs/dbraw/zinc/00/47/90/218004790.db2.gz OITLVDNMBGCQQU-GOEBONIOSA-N 0 0 331.416 2.555 50 0 EFAARN COc1nc(C)c(C(=O)N2CCC[C@H](OCc3cccnc3)C2)s1 ZINC000091434436 218004897 /nfs/dbraw/zinc/00/48/97/218004897.db2.gz OFXIGAIDPCMHNI-AWEZNQCLSA-N 0 0 347.440 2.677 50 0 EFAARN CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011937408 211271323 /nfs/dbraw/zinc/27/13/23/211271323.db2.gz LYQKVURACNEFGD-INIZCTEOSA-N 0 0 325.368 2.823 50 0 EFAARN Cc1ccc(CNC(=O)c2cc(Cn3ccnc3C(C)C)n[nH]2)o1 ZINC000011936508 211271365 /nfs/dbraw/zinc/27/13/65/211271365.db2.gz PPMLWMXXBLWNAH-UHFFFAOYSA-N 0 0 327.388 2.609 50 0 EFAARN CCn1c(C)cc(C(=O)N2CC[C@]3(C2)CCCN(C(C)C)C3=O)c1C ZINC000091444908 218007509 /nfs/dbraw/zinc/00/75/09/218007509.db2.gz CIZRCRAMZFCXLL-FQEVSTJZSA-N 0 0 345.487 2.988 50 0 EFAARN Cc1nc(C(C)C)sc1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000091451959 218007789 /nfs/dbraw/zinc/00/77/89/218007789.db2.gz FRFLBAIYIZVKMV-LBPRGKRZSA-N 0 0 337.489 2.838 50 0 EFAARN Cc1ccc2nc(C(=O)N(C/C=C/c3ccccc3)CCO)cn2c1 ZINC000091451977 218007848 /nfs/dbraw/zinc/00/78/48/218007848.db2.gz LZNQCPIVDACZPQ-VMPITWQZSA-N 0 0 335.407 2.791 50 0 EFAARN C[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cn2ncsc2n1 ZINC000091461654 218009935 /nfs/dbraw/zinc/00/99/35/218009935.db2.gz VQCAFXVLSZDOIB-VIFPVBQESA-N 0 0 343.387 2.622 50 0 EFAARN CCOC(=O)c1c2c(sc1NC(=O)c1snnc1C)CCC2 ZINC000011914142 211267784 /nfs/dbraw/zinc/26/77/84/211267784.db2.gz HSJFKXCKMPGNRJ-UHFFFAOYSA-N 0 0 337.426 2.826 50 0 EFAARN CCNC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 ZINC000091468839 218010509 /nfs/dbraw/zinc/01/05/09/218010509.db2.gz VWYSBTLXSLNFFF-KRWDZBQOSA-N 0 0 343.471 2.834 50 0 EFAARN CCCc1nnc(N2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)s1 ZINC000091494311 218014103 /nfs/dbraw/zinc/01/41/03/218014103.db2.gz FZURCAIHLDXQJK-QGZVFWFLSA-N 0 0 334.489 2.720 50 0 EFAARN Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)n1 ZINC000011821605 211252188 /nfs/dbraw/zinc/25/21/88/211252188.db2.gz KSZIBNGVVZUJFA-INIZCTEOSA-N 0 0 343.471 2.968 50 0 EFAARN CCS(=O)(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000011820455 211251933 /nfs/dbraw/zinc/25/19/33/211251933.db2.gz 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COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C ZINC000000898659 286257315 /nfs/dbraw/zinc/25/73/15/286257315.db2.gz LINHZVMHXABQLB-ZDUSSCGKSA-N 0 0 327.380 2.867 50 0 biogenic,in-vitro EFAARN COc1ccc(OC)c([C@@H](C(=O)[O-])[N@@H+]2CCc3ccccc3C2)c1 ZINC000095355342 286343102 /nfs/dbraw/zinc/34/31/02/286343102.db2.gz LXTZXYRAXDUULG-SFHVURJKSA-N 0 0 327.380 2.888 50 0 EFAARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1O ZINC000001250663 286364573 /nfs/dbraw/zinc/36/45/73/286364573.db2.gz GRTQBOXVWYRXQP-OAHLLOKOSA-N 0 0 345.424 2.879 50 0 EFAARN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1nnc2n1CCCCC2 ZINC000221358238 286395189 /nfs/dbraw/zinc/39/51/89/286395189.db2.gz GZRQEQMXYKPFCJ-MRXNPFEDSA-N 0 0 340.427 2.821 50 0 EFAARN CCO[C@@]1(c2ccc(C)cc2)NC(=O)c2cc3c(cc21)OCCO3 ZINC000012858411 286421423 /nfs/dbraw/zinc/42/14/23/286421423.db2.gz REILJMOKVDSARI-LJQANCHMSA-N 0 0 325.364 2.747 50 0 EFAARN CCOc1c(OC)cccc1[C@H]1SCC(=O)Nc2n[nH]c(C)c21 ZINC000021788398 286552738 /nfs/dbraw/zinc/55/27/38/286552738.db2.gz 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262535656 /nfs/dbraw/zinc/53/56/56/262535656.db2.gz OWZHUPGUNZHNJE-ZDUSSCGKSA-N 0 0 338.454 2.736 50 0 EFAARN COc1ccc(C(C)=O)cc1NC(=O)NCCCc1c(C)n[nH]c1C ZINC000096164469 262535757 /nfs/dbraw/zinc/53/57/57/262535757.db2.gz VGBMCUAJQNRNQN-UHFFFAOYSA-N 0 0 344.415 2.992 50 0 EFAARN CO[C@]12CCN(C(=O)COc3c(C)ccc(C)c3C)[C@H]1C[C@H](O)CC2 ZINC000299755067 262541063 /nfs/dbraw/zinc/54/10/63/262541063.db2.gz AWQWNOHZZFMAIN-FUHIMQAGSA-N 0 0 347.455 2.522 50 0 EFAARN CCc1ocnc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272292252 266217976 /nfs/dbraw/zinc/21/79/76/266217976.db2.gz FVCKCMQOZIEXCY-UHFFFAOYSA-N 0 0 342.321 2.930 50 0 EFAARN CCCn1ccnc1CN1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072171417 273624920 /nfs/dbraw/zinc/62/49/20/273624920.db2.gz GQYXRIHAJIOHGW-UHFFFAOYSA-N 0 0 338.455 2.803 50 0 EFAARN CN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1ccc(Cl)cc1 ZINC000061718078 273862997 /nfs/dbraw/zinc/86/29/97/273862997.db2.gz PCJSRCKPOYEUBH-CJNGLKHVSA-N 0 0 329.787 2.893 50 0 EFAARN CN1CCn2nc(C(=O)NC3c4ccccc4-c4ccccc43)cc2C1 ZINC000065432114 273934921 /nfs/dbraw/zinc/93/49/21/273934921.db2.gz JIKPMUWWZKAYQW-UHFFFAOYSA-N 0 0 344.418 2.828 50 0 EFAARN COC[C@H](c1ccccn1)N(C)Cc1cc2c(cc1C)OCCO2 ZINC000216068108 274051578 /nfs/dbraw/zinc/05/15/78/274051578.db2.gz PSYSBAQLOSHMHB-QGZVFWFLSA-N 0 0 328.412 2.981 50 0 EFAARN Cc1nc(CCN(C)C(=O)c2csc(-c3ccccc3)n2)no1 ZINC000285825771 274081968 /nfs/dbraw/zinc/08/19/68/274081968.db2.gz OERDOJVFVOVNKU-UHFFFAOYSA-N 0 0 328.397 2.816 50 0 EFAARN COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000015122159 274097794 /nfs/dbraw/zinc/09/77/94/274097794.db2.gz SFOMHAXOBRLRFH-CYBMUJFWSA-N 0 0 325.364 2.882 50 0 biogenic EFAARN COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135449 274102532 /nfs/dbraw/zinc/10/25/32/274102532.db2.gz LZJRNLRASBVRRX-ZDUSSCGKSA-N 0 0 327.380 2.867 50 0 endogenous,in-man EFAARN COc1ccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c2ccc(C)nc12 ZINC000065395739 274103735 /nfs/dbraw/zinc/10/37/35/274103735.db2.gz COANFZXIMLOIMB-UHFFFAOYSA-N 0 0 333.347 2.749 50 0 EFAARN COc1cccc(-c2ccc3c(n2)sc2c3[nH]c(=O)[nH]c2=O)c1 ZINC000000377739 274144410 /nfs/dbraw/zinc/14/44/10/274144410.db2.gz GGMPVALPAXLOBE-UHFFFAOYSA-N 0 0 325.349 2.502 50 0 EFAARN COc1ccc(CNC(=O)NC[C@@H]2COc3ccccc32)cc1OC ZINC000288702216 274646413 /nfs/dbraw/zinc/64/64/13/274646413.db2.gz BXERQFRIZOHGBS-CQSZACIVSA-N 0 0 342.395 2.679 50 0 EFAARN O=C(c1n[nH]c2c1CCCC2)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000192798035 275010333 /nfs/dbraw/zinc/01/03/33/275010333.db2.gz ZSPZNCVNIULPKZ-MRXNPFEDSA-N 0 0 329.375 2.641 50 0 EFAARN O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(F)cc1 ZINC000038783784 275043168 /nfs/dbraw/zinc/04/31/68/275043168.db2.gz XRQYKSBGGMPYKY-UHFFFAOYSA-N 0 0 349.247 2.586 50 0 EFAARN CC(C)(C)c1cc(CN2CCc3nc[nH]c3[C@@H]2c2ccncc2)[nH]n1 ZINC000067909266 275534691 /nfs/dbraw/zinc/53/46/91/275534691.db2.gz DECGQHIDFROLQD-SFHVURJKSA-N 0 0 336.443 2.973 50 0 EFAARN CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)c3ccccc31)C2 ZINC000067712975 275540613 /nfs/dbraw/zinc/54/06/13/275540613.db2.gz YEUNYGLIMFUZBO-OAHLLOKOSA-N 0 0 335.407 2.987 50 0 EFAARN CC(C)n1ccnc1CN1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072122492 275786422 /nfs/dbraw/zinc/78/64/22/275786422.db2.gz KYBSUDCJJGIUOZ-GOSISDBHSA-N 0 0 325.456 2.915 50 0 EFAARN CC1(C)Cc2nc3ncn(Cc4ccccc4F)c(=O)c3cc2CO1 ZINC000013687877 275874262 /nfs/dbraw/zinc/87/42/62/275874262.db2.gz ZBSVHZFJCTZWMI-UHFFFAOYSA-N 0 0 339.370 2.830 50 0 EFAARN CC(C)OC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000003615846 275967581 /nfs/dbraw/zinc/96/75/81/275967581.db2.gz BEOGRSSURAOTPB-JYRVWZFOSA-N 0 0 343.335 2.731 50 0 EFAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000004029347 275976225 /nfs/dbraw/zinc/97/62/25/275976225.db2.gz SFHJTOQYARMXDQ-INIZCTEOSA-N 0 0 339.439 2.799 50 0 biogenic EFAARN CCCN(Cc1nccn1C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000095377368 276003501 /nfs/dbraw/zinc/00/35/01/276003501.db2.gz VLYPUVHIMOBLJA-MRXNPFEDSA-N 0 0 340.471 2.606 50 0 EFAARN CCCn1ccnc1CN1CCC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC000072153119 276059059 /nfs/dbraw/zinc/05/90/59/276059059.db2.gz CMVJRKBKNVUJGZ-HXUWFJFHSA-N 0 0 338.455 2.803 50 0 EFAARN CCN(C[C@H]1CCCCO1)C(=O)Nc1cc(-n2cnnc2)ccc1F ZINC000426727420 276138618 /nfs/dbraw/zinc/13/86/18/276138618.db2.gz JTVOVXIPWPVICF-CQSZACIVSA-N 0 0 347.394 2.829 50 0 EFAARN CC1(C)C[C@@H](C(=O)N2CCC3(CC2)c2ccccc2NC3=O)CCO1 ZINC000072150063 276140421 /nfs/dbraw/zinc/14/04/21/276140421.db2.gz QKXCZWAEANYIIG-AWEZNQCLSA-N 0 0 342.439 2.704 50 0 EFAARN CC1(C)Cc2nc3ncn(CCc4ccccc4)c(=O)c3cc2CO1 ZINC000012899240 276151815 /nfs/dbraw/zinc/15/18/15/276151815.db2.gz ZLROHNDWVJJHOS-UHFFFAOYSA-N 0 0 335.407 2.886 50 0 biogenic EFAARN CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC[C@H]12 ZINC000109794847 276290231 /nfs/dbraw/zinc/29/02/31/276290231.db2.gz ZVUHFYBRYGQWEC-MVWJERBFSA-N 0 0 349.433 2.614 50 0 EFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 ZINC000000466291 276298887 /nfs/dbraw/zinc/29/88/87/276298887.db2.gz ILGGOCMYVBKUCP-ZIAGYGMSSA-N 0 0 333.771 2.885 50 0 EFAARN CCOC(=O)[C@@]1(C)C(Br)C(=O)C(=O)N1c1ccccc1 ZINC000020029328 276438789 /nfs/dbraw/zinc/43/87/89/276438789.db2.gz BFWZGZLHESZCKJ-CQSZACIVSA-N 0 0 340.173 2.520 50 0 EFAARN CCOc1ccc([C@H]2CC(=O)NCc3nc4cc(C)ccn4c32)cn1 ZINC000065376093 276497034 /nfs/dbraw/zinc/49/70/34/276497034.db2.gz XQQPKYPGWFKSAI-CQSZACIVSA-N 0 0 336.395 2.588 50 0 EFAARN CC[C@@H]1c2cccn2CCN1C(=O)c1cc(C(C)C)n2ncnc2n1 ZINC000091707478 276598539 /nfs/dbraw/zinc/59/85/39/276598539.db2.gz BAYUTCKSZHMOBQ-CQSZACIVSA-N 0 0 338.415 2.656 50 0 EFAARN CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(F)cc2)C1=O ZINC000006757613 276643023 /nfs/dbraw/zinc/64/30/23/276643023.db2.gz QRKSPLRYUANJIE-MRXNPFEDSA-N 0 0 341.338 2.848 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCCN3C(=O)c4ccccc4[C@H]32)o1 ZINC000097528072 276685697 /nfs/dbraw/zinc/68/56/97/276685697.db2.gz UIBCGZZREPEKCV-MRXNPFEDSA-N 0 0 325.368 2.546 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCCN3C(=O)c4ccccc4[C@@H]32)o1 ZINC000097528071 276699010 /nfs/dbraw/zinc/69/90/10/276699010.db2.gz UIBCGZZREPEKCV-INIZCTEOSA-N 0 0 325.368 2.546 50 0 EFAARN CC(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000000386371 277022510 /nfs/dbraw/zinc/02/25/10/277022510.db2.gz QYDKVTXSDFKCCG-UHFFFAOYSA-N 0 0 345.815 2.907 50 0 EFAARN CN1CC2(CCC1=O)CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 ZINC000091736840 277022646 /nfs/dbraw/zinc/02/26/46/277022646.db2.gz AHFQISRKDDISIA-QGZVFWFLSA-N 0 0 340.467 2.968 50 0 EFAARN COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccs1 ZINC000085412986 277141483 /nfs/dbraw/zinc/14/14/83/277141483.db2.gz XBELOGUZTDNLIW-DOMZBBRYSA-N 0 0 328.345 2.920 50 0 EFAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 ZINC000002329402 277161336 /nfs/dbraw/zinc/16/13/36/277161336.db2.gz XQBTWTGMEUGBMW-MRXNPFEDSA-N 0 0 349.342 2.755 50 0 EFAARN CN1CCc2c(sc3ncn4nc(-c5ccc(O)cc5)nc4c23)C1 ZINC000020566016 277187189 /nfs/dbraw/zinc/18/71/89/277187189.db2.gz VVYSKIMXXUINMT-UHFFFAOYSA-N 0 0 337.408 2.700 50 0 EFAARN CC(C)(C)c1ncc2c(n1)CN(CCC(=O)Nc1nccs1)C2 ZINC000241081902 277276625 /nfs/dbraw/zinc/27/66/25/277276625.db2.gz YSDUVHKWDMNTHM-UHFFFAOYSA-N 0 0 331.445 2.575 50 0 EFAARN CO[C@@H]1CCCOC12CCN(C(=O)NCCc1cccs1)CC2 ZINC000095516840 277285943 /nfs/dbraw/zinc/28/59/43/277285943.db2.gz ROPGUMYEGYDDGJ-OAHLLOKOSA-N 0 0 338.473 2.660 50 0 EFAARN COC(=O)c1c2c(sc1NC(=S)Nc1cnccn1)CCC2 ZINC000000609996 277418254 /nfs/dbraw/zinc/41/82/54/277418254.db2.gz VSFPEJHHVYGYDX-UHFFFAOYSA-N 0 0 334.426 2.622 50 0 EFAARN COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2 ZINC000040448931 277433772 /nfs/dbraw/zinc/43/37/72/277433772.db2.gz ICAYJBMICZNBCC-UHFFFAOYSA-N 0 0 332.400 2.916 50 0 EFAARN CC(C)N1C(=O)N[C@@H]2[C@@H]([C@@H](C)NC(=O)N2C(C)C)[C@@H]1c1ccccc1 ZINC000004023330 277578346 /nfs/dbraw/zinc/57/83/46/277578346.db2.gz PFWXSCUXNSMURW-IWCQGFGOSA-N 0 0 344.459 2.926 50 0 biogenic EFAARN COc1cc([C@@H]2SCC(=O)Nc3c2cnn3C)cc2c1OCCO2 ZINC000049546705 277838368 /nfs/dbraw/zinc/83/83/68/277838368.db2.gz ICSDJMJVVPIUNA-HNNXBMFYSA-N 0 0 347.396 2.624 50 0 EFAARN COc1cc([C@@H]2CC(=O)Oc3ccc4nsnc4c32)ccc1O ZINC000096223673 277838374 /nfs/dbraw/zinc/83/83/74/277838374.db2.gz SCEVYKHDFLRHAX-VIFPVBQESA-N 0 0 328.349 2.847 50 0 EFAARN COc1cc2c(cc1OC)/C(=C/c1ccc3c(c1)OCO3)C(=O)N2 ZINC000015109850 277852917 /nfs/dbraw/zinc/85/29/17/277852917.db2.gz BGHVVKAHCBHMAX-XGICHPGQSA-N 0 0 325.320 2.925 50 0 EFAARN C[C@@H]1CN(c2ncnc3c2cnn3-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000004354578 277923569 /nfs/dbraw/zinc/92/35/69/277923569.db2.gz JFMWSKAGSMRHTQ-VXGBXAGGSA-N 0 0 327.363 2.568 50 0 EFAARN COc1ccc2c(c1)[C@H](NC(=O)CCc1ccnn1C)CC(C)(C)O2 ZINC000426380181 277987413 /nfs/dbraw/zinc/98/74/13/277987413.db2.gz WRWMTKRLXZXPAN-MRXNPFEDSA-N 0 0 343.427 2.780 50 0 EFAARN COc1ccc2ncn([C@H](C)[C@@H]3COc4ccccc4O3)c(=O)c2c1 ZINC000032578229 278005137 /nfs/dbraw/zinc/00/51/37/278005137.db2.gz HLICONWFVJBZOB-XIKOKIGWSA-N 0 0 338.363 2.806 50 0 EFAARN COc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)c1 ZINC000000352157 278007700 /nfs/dbraw/zinc/00/77/00/278007700.db2.gz QLOFJRJIVNIGEZ-IUODEOHRSA-N 0 0 342.317 2.948 50 0 EFAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2snnc2C)C1 ZINC000011842760 278046868 /nfs/dbraw/zinc/04/68/68/278046868.db2.gz UANKZDWFRYZJGU-GFCCVEGCSA-N 0 0 345.424 2.590 50 0 EFAARN C[C@@H]1Nc2ncnn2[C@@H](c2cccs2)[C@@H]1C(=O)Nc1ccccc1 ZINC000011694926 278050521 /nfs/dbraw/zinc/05/05/21/278050521.db2.gz GSRTUIYGCDJEQG-GLQYFDAESA-N 0 0 339.424 2.998 50 0 EFAARN CSc1nc2ncc3c(ccn(-c4ccc(C)cc4C)c3=O)n2n1 ZINC000030875433 278180022 /nfs/dbraw/zinc/18/00/22/278180022.db2.gz LAIAIDABMWYHBS-UHFFFAOYSA-N 0 0 337.408 2.767 50 0 EFAARN CSc1nnc2c3c4c(sc3nc(SC)n12)CN(C)CC4 ZINC000020463818 278181526 /nfs/dbraw/zinc/18/15/26/278181526.db2.gz UOSJPCYRSRFVFB-UHFFFAOYSA-N 0 0 337.499 2.771 50 0 EFAARN CC1(C)CC(=O)c2cc(C(=O)NC3CCCCCC3)c(=O)[nH]c2C1 ZINC000071384927 278186421 /nfs/dbraw/zinc/18/64/21/278186421.db2.gz PKNUZIRRDBOQCR-UHFFFAOYSA-N 0 0 330.428 2.983 50 0 EFAARN CC(C)(C)NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000000619174 278368852 /nfs/dbraw/zinc/36/88/52/278368852.db2.gz XXJIPHIQMIHPIC-UHFFFAOYSA-N 0 0 338.407 2.885 50 0 EFAARN CCC(=O)N1CCC2(CC1)Nc1ccccc1N(CC(C)C)C2=O ZINC000055131780 278556828 /nfs/dbraw/zinc/55/68/28/278556828.db2.gz QPHIQGUJMGGMBB-UHFFFAOYSA-N 0 0 329.444 2.872 50 0 EFAARN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)OCO4)NC2=S)cc1 ZINC000003273233 278816732 /nfs/dbraw/zinc/81/67/32/278816732.db2.gz RVZSJPLTIWLRMU-ZSOIEALJSA-N 0 0 338.388 2.986 50 0 EFAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(N)ccn3)C2)cc1 ZINC000055183393 278837051 /nfs/dbraw/zinc/83/70/51/278837051.db2.gz OUOHBAMAFRTSDK-OAHLLOKOSA-N 0 0 325.412 2.903 50 0 EFAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3c(s1)CCCCC3)C2 ZINC000072154780 279110579 /nfs/dbraw/zinc/11/05/79/279110579.db2.gz FJWUMIBOHCGJMU-UHFFFAOYSA-N 0 0 343.452 2.607 50 0 EFAARN CCN(Cc1ccncc1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012434781 279241648 /nfs/dbraw/zinc/24/16/48/279241648.db2.gz KYCDIQOSFYKSFS-INIZCTEOSA-N 0 0 329.444 2.611 50 0 EFAARN CCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321072 279568260 /nfs/dbraw/zinc/56/82/60/279568260.db2.gz SEMLXQMCGYOIRB-JTQLQIEISA-N 0 0 349.456 2.567 50 0 EFAARN CC(C)[C@@H](C(=O)N1CCC(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000000044870 279759263 /nfs/dbraw/zinc/75/92/63/279759263.db2.gz BXGWJULSAVJRMO-INIZCTEOSA-N 0 0 328.412 2.566 50 0 EFAARN CC(C)[C@@H](C(=O)N1CCCCCC1)n1cnc2ccccc2c1=O ZINC000005205213 279761783 /nfs/dbraw/zinc/76/17/83/279761783.db2.gz VLPCOYZUPIUVHU-KRWDZBQOSA-N 0 0 327.428 2.996 50 0 EFAARN O=C(COc1ccccc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000350759 279786402 /nfs/dbraw/zinc/78/64/02/279786402.db2.gz FCAOAUIDNHIKDJ-DOMZBBRYSA-N 0 0 342.317 2.705 50 0 EFAARN O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CC(=O)OC12CCCC2 ZINC000097742924 279815992 /nfs/dbraw/zinc/81/59/92/279815992.db2.gz WJIKDJJOYJQSQJ-CYBMUJFWSA-N 0 0 335.350 2.946 50 0 EFAARN CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)C(OC)OC)cc1 ZINC000035655161 279960199 /nfs/dbraw/zinc/96/01/99/279960199.db2.gz LUTBXJYUCDCXIL-JKSUJKDBSA-N 0 0 347.411 2.794 50 0 EFAARN O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)c1ccc(F)cc1 ZINC000001393968 280073876 /nfs/dbraw/zinc/07/38/76/280073876.db2.gz MCFWAHRBARLPRY-GFCCVEGCSA-N 0 0 326.370 2.963 50 0 EFAARN CC[C@H]1CCCCN1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000012302363 288197933 /nfs/dbraw/zinc/19/79/33/288197933.db2.gz NGCFBVRWBZXTBX-AWEZNQCLSA-N 0 0 327.494 2.707 50 0 EFAARN O=C([C@H]1CCCCn2nnnc21)N1CCC2(C=Cc3ccccc32)CC1 ZINC000097732917 280130766 /nfs/dbraw/zinc/13/07/66/280130766.db2.gz CAFCGOBDWRVEOH-INIZCTEOSA-N 0 0 349.438 2.528 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101452814 280175701 /nfs/dbraw/zinc/17/57/01/280175701.db2.gz CLQPEZWMMZFTBG-GVAFMPQTSA-N 0 0 337.297 2.928 50 0 EFAARN O=C1C[C@@H](c2ccc(F)c(Cl)c2)c2c(=O)n3ccccc3nc2O1 ZINC000096224093 280269643 /nfs/dbraw/zinc/26/96/43/280269643.db2.gz IBNLBDISCGKWCV-JTQLQIEISA-N 0 0 344.729 2.928 50 0 EFAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)oc3ccccc3c2O1 ZINC000001427232 280269677 /nfs/dbraw/zinc/26/96/77/280269677.db2.gz FGBKXMJFDIKGLN-LBPRGKRZSA-N 0 0 336.299 2.963 50 0 biogenic EFAARN Cc1cc(C(=O)Nc2nc(C(=O)Nc3nc(C)c(C)s3)co2)no1 ZINC000090583232 280373517 /nfs/dbraw/zinc/37/35/17/280373517.db2.gz ITDJQYBBERJDGE-UHFFFAOYSA-N 0 0 347.356 2.549 50 0 EFAARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1C[C@@H]1CCCO1 ZINC000000534919 280390198 /nfs/dbraw/zinc/39/01/98/280390198.db2.gz RLUAWCUVCCSTPB-JTQLQIEISA-N 0 0 348.200 2.819 50 0 EFAARN Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)n2nccc2n1 ZINC000072477006 280571446 /nfs/dbraw/zinc/57/14/46/280571446.db2.gz OOJLZNIWMXMKJV-IBGZPJMESA-N 0 0 334.379 2.652 50 0 EFAARN Cc1cccc(-c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)c1 ZINC000000527330 281186500 /nfs/dbraw/zinc/18/65/00/281186500.db2.gz ZERUZVCWMXXOBJ-GDNBJRDFSA-N 0 0 337.379 2.813 50 0 EFAARN Cc1cccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)c1 ZINC000000528493 281186536 /nfs/dbraw/zinc/18/65/36/281186536.db2.gz AVBFAXWCEHTLEC-LCYFTJDESA-N 0 0 325.418 2.736 50 0 EFAARN Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@@H]3C2=O)c1 ZINC000019170683 281223890 /nfs/dbraw/zinc/22/38/90/281223890.db2.gz RFTKYPUCCIFEFW-FHWLQOOXSA-N 0 0 347.418 2.531 50 0 EFAARN Cc1ccccc1-n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O ZINC000022609025 281329889 /nfs/dbraw/zinc/32/98/89/281329889.db2.gz XAAGVPJGNURVTM-UHFFFAOYSA-N 0 0 345.284 2.756 50 0 EFAARN CCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-c2ccc(F)cc2)n1 ZINC000057508788 281374770 /nfs/dbraw/zinc/37/47/70/281374770.db2.gz NYBHSTUUZVXXSI-UHFFFAOYSA-N 0 0 331.391 2.527 50 0 EFAARN CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2=O ZINC000019322902 281612699 /nfs/dbraw/zinc/61/26/99/281612699.db2.gz WDNATTHZWMJSSE-UHFFFAOYSA-N 0 0 335.245 2.674 50 0 biogenic EFAARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000219316907 281776669 /nfs/dbraw/zinc/77/66/69/281776669.db2.gz FYKWXSDUNHMUMM-JTQLQIEISA-N 0 0 325.368 2.932 50 0 EFAARN Cc1nc(-c2ncc(C(=O)N3Cc4ccccc4C3)c(=O)[nH]2)cs1 ZINC000091452083 281814144 /nfs/dbraw/zinc/81/41/44/281814144.db2.gz XYQIRURKLAIEDY-UHFFFAOYSA-N 0 0 338.392 2.770 50 0 EFAARN CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095383330 289865299 /nfs/dbraw/zinc/86/52/99/289865299.db2.gz XDACEGAKKBHTNJ-KRWDZBQOSA-N 0 0 326.440 2.651 50 0 EFAARN Cc1cn2c(ncc(C(=O)N3CCCc4ccccc43)c2=O)s1 ZINC000004505724 292855491 /nfs/dbraw/zinc/85/54/91/292855491.db2.gz JFBIWEYTXGEDBL-UHFFFAOYSA-N 0 0 325.393 2.657 50 0 EFAARN Cc1csc2nc(O)c(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c(=O)n12 ZINC000010166698 293076201 /nfs/dbraw/zinc/07/62/01/293076201.db2.gz CNUSAZUMWFVHSP-KOLCDFICSA-N 0 0 349.456 2.715 50 0 EFAARN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000096139287 293097846 /nfs/dbraw/zinc/09/78/46/293097846.db2.gz UUXRTACQSZFYEV-LMFLDHGRSA-N 0 0 345.487 2.653 50 0 EFAARN COCc1ncc(CN2CCc3nc[nH]c3[C@H]2c2ccc(C)cc2)cn1 ZINC000067514787 293340504 /nfs/dbraw/zinc/34/05/04/293340504.db2.gz QRAPUSCWSNBFKN-HXUWFJFHSA-N 0 0 349.438 2.802 50 0 EFAARN Cn1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000012365969 294361134 /nfs/dbraw/zinc/36/11/34/294361134.db2.gz NKLYLAWZYMAIJY-MRXNPFEDSA-N 0 0 337.420 2.865 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCCN(Cc3csc(C)n3)CC2)o1 ZINC000293226716 294913041 /nfs/dbraw/zinc/91/30/41/294913041.db2.gz XXGPYAXVGFPAOM-UHFFFAOYSA-N 0 0 348.472 2.658 50 0 EFAARN COc1cc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)cc(OC)c1OC ZINC000020898795 295021926 /nfs/dbraw/zinc/02/19/26/295021926.db2.gz ALTJGUPXWYDBLD-HNNXBMFYSA-N 0 0 349.412 2.519 50 0 EFAARN COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000006996940 295155365 /nfs/dbraw/zinc/15/53/65/295155365.db2.gz AJRMYLOBSJXVEB-SFHVURJKSA-N 0 0 340.404 2.604 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1 ZINC000000615844 295218362 /nfs/dbraw/zinc/21/83/62/295218362.db2.gz KMMYYEGQQSGQJB-LBPRGKRZSA-N 0 0 327.336 2.907 50 0 EFAARN COc1ccc([C@@H]2OC(=O)N(C)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001426950 295228532 /nfs/dbraw/zinc/22/85/32/295228532.db2.gz LFUBLNYMPOZSGZ-WMZOPIPTSA-N 0 0 329.352 2.672 50 0 EFAARN COc1ccc(S(=O)(=O)N2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000295218995 295284110 /nfs/dbraw/zinc/28/41/10/295284110.db2.gz AWYZEXXDWPWOIZ-LLVKDONJSA-N 0 0 347.864 2.520 50 0 EFAARN COc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC ZINC000000609527 295326931 /nfs/dbraw/zinc/32/69/31/295326931.db2.gz LVPCYAWYDUWLDG-GFCCVEGCSA-N 0 0 341.363 2.949 50 0 EFAARN COc1cccc([C@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)c1 ZINC000072150700 295327164 /nfs/dbraw/zinc/32/71/64/295327164.db2.gz IIILGDCDXFTMET-MRXNPFEDSA-N 0 0 349.456 2.653 50 0 EFAARN COc1cccc([C@H]2CCN2C(=O)c2c(C)cc(C)n(C)c2=O)c1 ZINC000216315534 295328033 /nfs/dbraw/zinc/32/80/33/295328033.db2.gz UEEOCFSGZBKKJS-MRXNPFEDSA-N 0 0 326.396 2.598 50 0 EFAARN Nc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2(O)C(F)(F)F)cc1 ZINC000000436098 295351457 /nfs/dbraw/zinc/35/14/57/295351457.db2.gz UQIAOINDLAFVMA-RISCZKNCSA-N 0 0 327.306 2.522 50 0 EFAARN O=C(NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000000342218 295590379 /nfs/dbraw/zinc/59/03/79/295590379.db2.gz YGFFRSMVZBWZAC-UHFFFAOYSA-N 0 0 332.356 2.724 50 0 EFAARN C[C@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000000299735 298045176 /nfs/dbraw/zinc/04/51/76/298045176.db2.gz NKNFPVOPLUIORL-CYBMUJFWSA-N 0 0 334.375 2.651 50 0 EFAARN Cc1cc(=O)n(CC(=O)N2CCCC[C@H]2C)c(-c2ccccc2)n1 ZINC000057526378 301067425 /nfs/dbraw/zinc/06/74/25/301067425.db2.gz IOZKBLSBBDCVOS-OAHLLOKOSA-N 0 0 325.412 2.620 50 0 EFAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H](c1cccc(F)c1)N(C)C ZINC000223422051 302480084 /nfs/dbraw/zinc/48/00/84/302480084.db2.gz FWMJADBVGCOBNZ-SFHVURJKSA-N 0 0 346.450 2.860 50 0 EFAARN Cc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1cccnc1 ZINC000005349107 302658674 /nfs/dbraw/zinc/65/86/74/302658674.db2.gz ZIGRZSFTLGFLKS-OAHLLOKOSA-N 0 0 331.335 2.819 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000004226051 303232710 /nfs/dbraw/zinc/23/27/10/303232710.db2.gz DMDYIZUVUNJITL-BDAKNGLRSA-N 0 0 337.253 2.647 50 0 EFAARN N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000005989741 303232877 /nfs/dbraw/zinc/23/28/77/303232877.db2.gz DMDYIZUVUNJITL-DTWKUNHWSA-N 0 0 337.253 2.647 50 0 EFAARN NC(=O)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000018210195 303351141 /nfs/dbraw/zinc/35/11/41/303351141.db2.gz FURUYWAZCWTJAZ-GHMZBOCLSA-N 0 0 328.269 2.781 50 0 EFAARN NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000184432 303352778 /nfs/dbraw/zinc/35/27/78/303352778.db2.gz DLNCJIDHGFMAMX-FSPLSTOPSA-N 0 0 334.685 2.889 50 0 EFAARN CCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](O)C23CCCC3)cc1 ZINC000330336304 311314239 /nfs/dbraw/zinc/31/42/39/311314239.db2.gz SHEOFWUDAHKUAF-OAHLLOKOSA-N 0 0 331.416 2.946 50 0 EFAARN C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(Br)c3)no2)O1 ZINC000527543940 316394554 /nfs/dbraw/zinc/39/45/54/316394554.db2.gz UHWSKSCXYPZWMP-BXKDBHETSA-N 0 0 338.205 2.891 50 0 EFAARN Cc1ccc(NCCCNC(=O)N(C)C[C@@H](O)c2ccccc2)nc1 ZINC000534574437 448453872 /nfs/dbraw/zinc/45/38/72/448453872.db2.gz DDJCUSVYRAISLO-QGZVFWFLSA-N 0 0 342.443 2.567 50 0 EFAARN O=C(Nc1nc2ccccc2s1)c1c(=O)[nH]c2c(c1O)CCCC2 ZINC000006813981 462706429 /nfs/dbraw/zinc/70/64/29/462706429.db2.gz QBCJHLKNWDRWAE-UHFFFAOYSA-N 0 0 341.392 2.821 50 0 EFAARN COC(=O)c1nc(NC(=O)c2n[nH]c3c2CCC3)sc1CC(C)C ZINC000095479504 463092765 /nfs/dbraw/zinc/09/27/65/463092765.db2.gz TVYXVKJWNVONIK-UHFFFAOYSA-N 0 0 348.428 2.592 50 0 EFAARN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Nc1ccccn1 ZINC000041105042 472043961 /nfs/dbraw/zinc/04/39/61/472043961.db2.gz NQSAMHHUGDDLSN-AWEZNQCLSA-N 0 0 326.400 2.536 50 0 EFAARN Cc1nc(C)c(-c2nnc(NC(=O)COc3ccccc3)o2)s1 ZINC000041097825 472044064 /nfs/dbraw/zinc/04/40/64/472044064.db2.gz RXGYLIUFTJFXLR-UHFFFAOYSA-N 0 0 330.369 2.827 50 0 EFAARN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Nc1ccccn1 ZINC000041105041 472044325 /nfs/dbraw/zinc/04/43/25/472044325.db2.gz NQSAMHHUGDDLSN-CQSZACIVSA-N 0 0 326.400 2.536 50 0 EFAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N[C@@H](CC)CO ZINC000041096340 472044706 /nfs/dbraw/zinc/04/47/06/472044706.db2.gz GRNJDPSHWZFGLN-ZDUSSCGKSA-N 0 0 329.462 2.566 50 0 EFAARN O=C(CC(c1ccccc1)c1ccccc1)NCC1(O)CCOCC1 ZINC000070638923 472500005 /nfs/dbraw/zinc/50/00/05/472500005.db2.gz ZAWRUEXSJMPOJX-UHFFFAOYSA-N 0 0 339.435 2.866 50 0 EFAARN O=S(=O)(CCOc1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000070637741 472500011 /nfs/dbraw/zinc/50/00/11/472500011.db2.gz LLYMWTMICGWWMM-UHFFFAOYSA-N 0 0 344.436 2.709 50 0 EFAARN O=C(NC[C@@H](O)Cc1ccccc1)c1cccc(Br)c1 ZINC000070639255 472500061 /nfs/dbraw/zinc/50/00/61/472500061.db2.gz VXVIWMNFGXWXEV-HNNXBMFYSA-N 0 0 334.213 2.783 50 0 EFAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2ccnn2C)S1 ZINC000095475250 473211301 /nfs/dbraw/zinc/21/13/01/473211301.db2.gz CIYPBKXKRIUBRT-CYBMUJFWSA-N 0 0 333.417 2.560 50 0 EFAARN COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(C)cc(=O)c1O ZINC000095475241 473211318 /nfs/dbraw/zinc/21/13/18/473211318.db2.gz RTUMSLUQGBHEPI-SECBINFHSA-N 0 0 342.269 2.766 50 0 EFAARN COCCn1ccc2cc(C(=O)Nc3nnc(C(C)C)[nH]3)ccc21 ZINC000095472141 473210379 /nfs/dbraw/zinc/21/03/79/473210379.db2.gz ADSHPBFKLROHPU-UHFFFAOYSA-N 0 0 327.388 2.782 50 0 EFAARN CC(C)Cn1nc(CC(=O)Nc2nccs2)c2ccccc2c1=O ZINC000095476925 473211336 /nfs/dbraw/zinc/21/13/36/473211336.db2.gz SGXSDAXOAPFWSI-UHFFFAOYSA-N 0 0 342.424 2.690 50 0 EFAARN Cc1nc2cc(C(=O)Nc3nnc([C@@H]4CCCO4)s3)ccc2[nH]1 ZINC000095472121 473210658 /nfs/dbraw/zinc/21/06/58/473210658.db2.gz ZDFDMCABGWWDCY-LBPRGKRZSA-N 0 0 329.385 2.827 50 0 EFAARN Cc1noc(C)c1-c1nn2c(nnc2-c2c(Cl)cnn2C)s1 ZINC000095474235 473211471 /nfs/dbraw/zinc/21/14/71/473211471.db2.gz ZOMNNSDNTSGGOB-UHFFFAOYSA-N 0 0 335.780 2.512 50 0 EFAARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NCc1ccco1 ZINC000095474677 473211718 /nfs/dbraw/zinc/21/17/18/473211718.db2.gz ZORKROBPBZXUPC-CQSZACIVSA-N 0 0 334.445 2.536 50 0 EFAARN COCCn1ccc2ccc(C(=O)Nc3nnc(C(C)C)[nH]3)cc21 ZINC000095474452 473211891 /nfs/dbraw/zinc/21/18/91/473211891.db2.gz AGURULIFZAQCSI-UHFFFAOYSA-N 0 0 327.388 2.782 50 0 EFAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)Nc1cccc2[nH]ccc21 ZINC000095477339 473212013 /nfs/dbraw/zinc/21/20/13/473212013.db2.gz VTGGHOOUUXGPNL-UHFFFAOYSA-N 0 0 341.762 2.538 50 0 EFAARN COc1ccc(N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)nn1 ZINC000095479521 473212585 /nfs/dbraw/zinc/21/25/85/473212585.db2.gz IIIFQNHGYMGOPG-ZBFHGGJFSA-N 0 0 340.427 2.579 50 0 EFAARN Cc1nc(C(=O)Nc2cccc(C(=O)c3nccn3C)c2)c(C)s1 ZINC000095480093 473212706 /nfs/dbraw/zinc/21/27/06/473212706.db2.gz BLIOMRATEATEMF-UHFFFAOYSA-N 0 0 340.408 2.977 50 0 EFAARN Cc1nnsc1-c1nnc2sc(-c3cc(CC(C)C)[nH]n3)nn21 ZINC000095478526 473212780 /nfs/dbraw/zinc/21/27/80/473212780.db2.gz SZCSKQAWPAGUDK-UHFFFAOYSA-N 0 0 346.445 2.601 50 0 EFAARN Cn1ccc2cc(NC(=O)COc3cccc(-n4cnnc4)c3)ccc21 ZINC000095478802 473212788 /nfs/dbraw/zinc/21/27/88/473212788.db2.gz DFKJERUXMBTPCZ-UHFFFAOYSA-N 0 0 347.378 2.777 50 0 EFAARN Cc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 ZINC000095505131 473215682 /nfs/dbraw/zinc/21/56/82/473215682.db2.gz GDWMWSPGNQCYHZ-KRWDZBQOSA-N 0 0 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340.420 2.536 50 0 EFAARN Cc1cn2cc(C(=O)NCc3nc(C)cc(C(F)(F)F)n3)ccc2n1 ZINC000082087179 473285426 /nfs/dbraw/zinc/28/54/26/473285426.db2.gz QSYFZKQFEMUYNT-UHFFFAOYSA-N 0 0 349.316 2.690 50 0 EFAARN Cc1cc(C)n([C@@H](C)C(=O)N2CCCN(c3ccc(F)cc3)CC2)n1 ZINC000082108834 473290251 /nfs/dbraw/zinc/29/02/51/473290251.db2.gz VWEUSSOLZMEQPV-INIZCTEOSA-N 0 0 344.434 2.939 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000082115323 473290699 /nfs/dbraw/zinc/29/06/99/473290699.db2.gz OLQAUYNGWMXOJI-UHFFFAOYSA-N 0 0 343.427 2.827 50 0 EFAARN CN(C)c1ccc(CC(=O)N2CCCC[C@H]2CCn2cccn2)cc1 ZINC000082115367 473290819 /nfs/dbraw/zinc/29/08/19/473290819.db2.gz UJPPHTCCJKLCDG-IBGZPJMESA-N 0 0 340.471 2.963 50 0 EFAARN Cc1ncsc1CCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 ZINC000082127661 473294492 /nfs/dbraw/zinc/29/44/92/473294492.db2.gz GWGUZUUBUXSKDV-UHFFFAOYSA-N 0 0 345.468 2.598 50 0 EFAARN CCn1c(CN2CCCC2)nnc1C1CCN(c2nccs2)CC1 ZINC000082109562 473291470 /nfs/dbraw/zinc/29/14/70/473291470.db2.gz JBHSVGDHKZRQQL-UHFFFAOYSA-N 0 0 346.504 2.734 50 0 EFAARN O=C(Cc1cn2ccsc2n1)N1CCCC[C@@H]1CCn1cccn1 ZINC000082121504 473292130 /nfs/dbraw/zinc/29/21/30/473292130.db2.gz QGSMYRJBYZMSQQ-OAHLLOKOSA-N 0 0 343.456 2.606 50 0 EFAARN O=C(c1cccc2nccnc21)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000082120111 473292289 /nfs/dbraw/zinc/29/22/89/473292289.db2.gz RMAZLMDZRNPETC-MRXNPFEDSA-N 0 0 348.406 2.846 50 0 EFAARN COc1cccc(N2C[C@@H](Cc3ccccc3)N(C(C)=O)CC2=O)c1 ZINC000082121358 473292351 /nfs/dbraw/zinc/29/23/51/473292351.db2.gz ZBDTVTDFQZSERX-GOSISDBHSA-N 0 0 338.407 2.502 50 0 EFAARN Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000082120601 473292460 /nfs/dbraw/zinc/29/24/60/473292460.db2.gz XNKWYSPFJXXEDF-CYBMUJFWSA-N 0 0 337.379 2.546 50 0 EFAARN Cc1cccc(N2C[C@H](C)N(C(=O)CCc3cccnc3)CC2=O)c1 ZINC000082125360 473292572 /nfs/dbraw/zinc/29/25/72/473292572.db2.gz FLZHRHBKQWQKEH-INIZCTEOSA-N 0 0 337.423 2.587 50 0 EFAARN CC(C)c1cc(C(=O)NCCc2nc(Cc3ccccc3)no2)no1 ZINC000082121506 473292698 /nfs/dbraw/zinc/29/26/98/473292698.db2.gz IPPJFMZKQLCIIY-UHFFFAOYSA-N 0 0 340.383 2.744 50 0 EFAARN Cc1nc2ccccc2n1CCC(=O)N1Cc2ccccc2[C@@H](O)C1 ZINC000082127343 473293647 /nfs/dbraw/zinc/29/36/47/473293647.db2.gz JAUWQTCDAUQONO-IBGZPJMESA-N 0 0 335.407 2.811 50 0 EFAARN Cn1cc([C@H](O)CNC(=O)c2c(F)cccc2F)c2ccccc21 ZINC000096096420 473294306 /nfs/dbraw/zinc/29/43/06/473294306.db2.gz BMYZBULVHJWFOJ-MRXNPFEDSA-N 0 0 330.334 2.920 50 0 EFAARN Cn1cc([C@H](O)CNC(=O)COc2ccccc2F)c2ccccc21 ZINC000096096440 473294937 /nfs/dbraw/zinc/29/49/37/473294937.db2.gz WKBPEKDCNNRJAJ-QGZVFWFLSA-N 0 0 342.370 2.546 50 0 EFAARN CC(C)n1cc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cn1 ZINC000082138682 473295521 /nfs/dbraw/zinc/29/55/21/473295521.db2.gz XIEDWJKUWJKONS-UHFFFAOYSA-N 0 0 346.818 2.606 50 0 EFAARN O=C(c1cc(-c2ccccc2)on1)N1CCC(Nc2ncccn2)CC1 ZINC000082138992 473295528 /nfs/dbraw/zinc/29/55/28/473295528.db2.gz PRSZSPMESMGBIL-UHFFFAOYSA-N 0 0 349.394 2.848 50 0 EFAARN Cn1cc([C@H](O)CNC(=O)NCc2cccs2)c2ccccc21 ZINC000096102809 473295605 /nfs/dbraw/zinc/29/56/05/473295605.db2.gz XESGQEANCNTPBU-MRXNPFEDSA-N 0 0 329.425 2.773 50 0 EFAARN CC(C)c1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)n(C)n1 ZINC000082137631 473295934 /nfs/dbraw/zinc/29/59/34/473295934.db2.gz TXMZMPWHPUZLSF-ZDUSSCGKSA-N 0 0 326.322 2.972 50 0 EFAARN O=C(c1cnn2ccccc12)N1CCC(OCc2cccnc2)CC1 ZINC000082147727 473296025 /nfs/dbraw/zinc/29/60/25/473296025.db2.gz AGBZVOCRBCHYAJ-UHFFFAOYSA-N 0 0 336.395 2.551 50 0 EFAARN Cc1cccc(N2C[C@@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)c1 ZINC000082146174 473296187 /nfs/dbraw/zinc/29/61/87/473296187.db2.gz XYVBYBXLXGGPBA-OAHLLOKOSA-N 0 0 338.407 2.887 50 0 EFAARN Cc1cccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3O)CC2=O)c1 ZINC000082146170 473296494 /nfs/dbraw/zinc/29/64/94/473296494.db2.gz XYVBYBXLXGGPBA-HNNXBMFYSA-N 0 0 338.407 2.887 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)N1CCC(Oc2cccnn2)CC1 ZINC000096102928 473296794 /nfs/dbraw/zinc/29/67/94/473296794.db2.gz KRFKUSAGZGUBAN-UHFFFAOYSA-N 0 0 346.818 2.883 50 0 EFAARN CCCc1n[nH]cc1C(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082161283 473297025 /nfs/dbraw/zinc/29/70/25/473297025.db2.gz CSUJDVPVGAGXBM-HNNXBMFYSA-N 0 0 341.459 2.989 50 0 EFAARN Cc1ncsc1CCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000082162166 473297461 /nfs/dbraw/zinc/29/74/61/473297461.db2.gz KNUDABADGSCHGO-UHFFFAOYSA-N 0 0 335.498 2.790 50 0 EFAARN COc1cccc(OC)c1C(=O)NC[C@H](O)c1ccc(SC)cc1 ZINC000096103100 473297439 /nfs/dbraw/zinc/29/74/39/473297439.db2.gz BXFJYSVUSSRULI-AWEZNQCLSA-N 0 0 347.436 2.889 50 0 EFAARN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccccc3C)C2)c(=O)n1 ZINC000082167026 473297547 /nfs/dbraw/zinc/29/75/47/473297547.db2.gz SWLZWKWICKOZRO-QGZVFWFLSA-N 0 0 339.439 2.575 50 0 EFAARN O=C(c1ncc(F)cc1F)N1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082166996 473297799 /nfs/dbraw/zinc/29/77/99/473297799.db2.gz IWRBWXYYBADGTR-ZDUSSCGKSA-N 0 0 346.381 2.986 50 0 EFAARN O=C(CCn1cccn1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000082171971 473297962 /nfs/dbraw/zinc/29/79/62/473297962.db2.gz JFKBXTQKFLIPMP-OAHLLOKOSA-N 0 0 337.383 2.687 50 0 EFAARN Cc1nc(-c2cccc(NC(=O)COc3ncccn3)c2)cs1 ZINC000082230316 473298122 /nfs/dbraw/zinc/29/81/22/473298122.db2.gz XRAFEYCSCXQXCR-UHFFFAOYSA-N 0 0 326.381 2.926 50 0 EFAARN COCc1cc(CNC(=O)c2csc(Cc3ccccc3)n2)[nH]n1 ZINC000082172134 473298213 /nfs/dbraw/zinc/29/82/13/473298213.db2.gz LFHVERKVCCIQEA-UHFFFAOYSA-N 0 0 342.424 2.533 50 0 EFAARN O=C(c1cc(Br)cs1)N1CCC2(CC1)OCCCO2 ZINC000096120495 473306394 /nfs/dbraw/zinc/30/63/94/473306394.db2.gz NHRNVKKXEBAXHX-UHFFFAOYSA-N 0 0 346.246 2.880 50 0 EFAARN CO[C@@H](CNS(=O)(=O)c1cccc2cccnc21)c1ccsc1 ZINC000096120644 473306457 /nfs/dbraw/zinc/30/64/57/473306457.db2.gz SXARXQMNVNFFRS-AWEZNQCLSA-N 0 0 348.449 2.962 50 0 EFAARN Cc1oncc1C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121696 473306568 /nfs/dbraw/zinc/30/65/68/473306568.db2.gz RLADIWHEXHFEBT-UHFFFAOYSA-N 0 0 337.383 2.549 50 0 EFAARN Cn1cnc2cc(NC(=O)CCCc3nnc4ccccn43)ccc21 ZINC000096118326 473307210 /nfs/dbraw/zinc/30/72/10/473307210.db2.gz LPSMHILCSSMWML-UHFFFAOYSA-N 0 0 334.383 2.577 50 0 EFAARN CCOC1CCN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000096133417 473309649 /nfs/dbraw/zinc/30/96/49/473309649.db2.gz WKBFFEMZLAGGDV-UHFFFAOYSA-N 0 0 335.404 2.686 50 0 EFAARN COc1ccc(NC(=O)NCCN2CCCc3ccccc32)cn1 ZINC000096132304 473309671 /nfs/dbraw/zinc/30/96/71/473309671.db2.gz XIUAWZSPSRTOFR-UHFFFAOYSA-N 0 0 326.400 2.665 50 0 EFAARN O=C(c1ccc2cc[nH]c2c1)N1CCN(CCc2ccccn2)CC1 ZINC000096118361 473307388 /nfs/dbraw/zinc/30/73/88/473307388.db2.gz KGJLMGIAVUPUIO-UHFFFAOYSA-N 0 0 334.423 2.563 50 0 EFAARN CO[C@@H]1CCCN(c2ccc(NC(=O)c3cnc(C)cn3)cc2)C1 ZINC000096122483 473308264 /nfs/dbraw/zinc/30/82/64/473308264.db2.gz KCNIBELKWPEYRU-MRXNPFEDSA-N 0 0 326.400 2.653 50 0 EFAARN CC[C@](CNC(=O)[C@@H]1COc2ccccc2O1)(OC)c1ccccc1 ZINC000096123707 473308669 /nfs/dbraw/zinc/30/86/69/473308669.db2.gz GXTZBRDUYITYTL-AZUAARDMSA-N 0 0 341.407 2.895 50 0 EFAARN CCCNC(=O)c1ccc(NC(=O)NCCc2c[nH]cn2)cc1Cl ZINC000096133730 473309819 /nfs/dbraw/zinc/30/98/19/473309819.db2.gz BOHIQRXZRCWLKW-UHFFFAOYSA-N 0 0 349.822 2.567 50 0 EFAARN CNc1nc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cs1 ZINC000096131486 473309071 /nfs/dbraw/zinc/30/90/71/473309071.db2.gz BRYZRSQTXKNCPL-UHFFFAOYSA-N 0 0 339.424 2.773 50 0 EFAARN C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NCCCc2ncc[nH]2)c1 ZINC000096130541 473309210 /nfs/dbraw/zinc/30/92/10/473309210.db2.gz KUQHXTUGYQCZQL-CYBMUJFWSA-N 0 0 341.415 2.679 50 0 EFAARN c1ccc2c(c1)nnn2CCCNc1nccc(-c2cccnc2)n1 ZINC000096131529 473309901 /nfs/dbraw/zinc/30/99/01/473309901.db2.gz HKVNKCPPUUVKPI-UHFFFAOYSA-N 0 0 331.383 2.786 50 0 EFAARN O=C(C=Cc1nc2ccccc2s1)N1CCC(c2nnc[nH]2)CC1 ZINC000083009406 473309941 /nfs/dbraw/zinc/30/99/41/473309941.db2.gz XSSZPNAJLBOHPV-AATRIKPKSA-N 0 0 339.424 2.834 50 0 EFAARN Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc4cnn(C)c4c3)C2)no1 ZINC000096138961 473311248 /nfs/dbraw/zinc/31/12/48/473311248.db2.gz FDSCPJLZNFEZSO-CYBMUJFWSA-N 0 0 340.387 2.676 50 0 EFAARN Cc1cc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c(C)o1 ZINC000096135934 473311333 /nfs/dbraw/zinc/31/13/33/473311333.db2.gz BIBJTPFYWMODOK-VQIMIIECSA-N 0 0 327.380 2.507 50 0 EFAARN O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CCc2[nH]cnc2C1 ZINC000096136667 473311350 /nfs/dbraw/zinc/31/13/50/473311350.db2.gz XANDRJBHBGHTHK-UHFFFAOYSA-N 0 0 335.289 2.503 50 0 EFAARN COc1ccc2c(c1)[C@@H](NC(=O)Nc1cnns1)CC(C)(C)O2 ZINC000096135925 473311821 /nfs/dbraw/zinc/31/18/21/473311821.db2.gz PTSZQMIXZHSWAO-NSHDSACASA-N 0 0 334.401 2.971 50 0 EFAARN Cc1c2[nH]cnc2cc(NC(=O)NCC2(Cn3cccn3)CC2)c1C ZINC000096137152 473311879 /nfs/dbraw/zinc/31/18/79/473311879.db2.gz FZJGBSNBVITNSB-UHFFFAOYSA-N 0 0 338.415 2.978 50 0 EFAARN CCc1nccn1CCCNC(=O)Nc1cccc2nnc(C)cc21 ZINC000096149680 473314930 /nfs/dbraw/zinc/31/49/30/473314930.db2.gz BAWHFMHMQQBTMX-UHFFFAOYSA-N 0 0 338.415 2.909 50 0 EFAARN Cc1nnc(CN(C)C(=O)Nc2cc(-c3nnc(C)o3)ccc2C)o1 ZINC000096139742 473312792 /nfs/dbraw/zinc/31/27/92/473312792.db2.gz MYDGJAQHNXPEAO-UHFFFAOYSA-N 0 0 342.359 2.709 50 0 EFAARN Cc1nn(C)c2nc(N3CCC[C@@H](C(=O)N4CCCCC4)C3)sc12 ZINC000096140812 473312910 /nfs/dbraw/zinc/31/29/10/473312910.db2.gz DOSFKSVRVRBKCO-CYBMUJFWSA-N 0 0 347.488 2.567 50 0 EFAARN CC(C)c1nc([C@@H]2NCCc3nc[nH]c32)n(CCc2ccccc2)n1 ZINC000096140047 473313399 /nfs/dbraw/zinc/31/33/99/473313399.db2.gz VRVURFKXJPTZAM-QGZVFWFLSA-N 0 0 336.443 2.602 50 0 EFAARN CC[C@@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1nc(C)c[nH]1 ZINC000096141550 473313483 /nfs/dbraw/zinc/31/34/83/473313483.db2.gz BAQNEOLRONCXCS-CYBMUJFWSA-N 0 0 345.403 2.958 50 0 EFAARN COc1ccc(-c2ccc(-c3nc([C@@H]4CCOC4)no3)c(=O)[nH]2)cc1 ZINC000096141840 473313683 /nfs/dbraw/zinc/31/36/83/473313683.db2.gz VAKTVOUNKQKJHG-GFCCVEGCSA-N 0 0 339.351 2.604 50 0 EFAARN Cc1nc2cc(C(=O)N3Cc4nnc(C)n4[C@H](C)C3)ccc2s1 ZINC000096148159 473314626 /nfs/dbraw/zinc/31/46/26/473314626.db2.gz ODWUVOKVXMBCKY-SECBINFHSA-N 0 0 327.413 2.722 50 0 EFAARN CCOc1ccc(-c2nc(CC(N)=O)nn2-c2ccccc2Cl)o1 ZINC000096148747 473314632 /nfs/dbraw/zinc/31/46/32/473314632.db2.gz GTCJMWOBPHHFOM-UHFFFAOYSA-N 0 0 346.774 2.607 50 0 EFAARN O=C(c1n[nH]cc1Cl)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 ZINC000096149891 473314643 /nfs/dbraw/zinc/31/46/43/473314643.db2.gz VWFCCDWLQLYBMO-UHFFFAOYSA-N 0 0 345.765 2.791 50 0 EFAARN Fc1ccccc1-c1noc(CCc2nc([C@H]3CCOC3)no2)n1 ZINC000096159857 473319780 /nfs/dbraw/zinc/31/97/80/473319780.db2.gz ULMGCTBAFHLSBC-JTQLQIEISA-N 0 0 330.319 2.548 50 0 EFAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CC(=O)N3)no1 ZINC000096149371 473315050 /nfs/dbraw/zinc/31/50/50/473315050.db2.gz GXRMJIDGLADFOP-HNNXBMFYSA-N 0 0 326.356 2.847 50 0 EFAARN Cc1nnc([C@@H](C)NC(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)[nH]1 ZINC000096152235 473316879 /nfs/dbraw/zinc/31/68/79/473316879.db2.gz WPFNTOCVIARULJ-SECBINFHSA-N 0 0 327.392 2.996 50 0 EFAARN O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(-c2cn[nH]c2)c1 ZINC000096166557 473321678 /nfs/dbraw/zinc/32/16/78/473321678.db2.gz POOMVHLNVAVFJC-AWEZNQCLSA-N 0 0 341.436 2.719 50 0 EFAARN Cc1nn(C)c2nc(NCc3nc(Cc4cccs4)no3)sc12 ZINC000096163416 473321795 /nfs/dbraw/zinc/32/17/95/473321795.db2.gz JMRUCHBGQHLOFQ-UHFFFAOYSA-N 0 0 346.441 2.986 50 0 EFAARN CC[C@@H](O)Cn1nc(C)nc1-c1ccc(CSc2ncccn2)o1 ZINC000096166409 473321806 /nfs/dbraw/zinc/32/18/06/473321806.db2.gz OAQLVYMPOZMCMH-GFCCVEGCSA-N 0 0 345.428 2.700 50 0 EFAARN O[C@H](c1ccccn1)C1CCN(c2nccc(-c3ccccn3)n2)CC1 ZINC000096163442 473321831 /nfs/dbraw/zinc/32/18/31/473321831.db2.gz CNEXKDZIZUHINO-IBGZPJMESA-N 0 0 347.422 2.884 50 0 EFAARN COc1ccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)cc1F ZINC000096162497 473321935 /nfs/dbraw/zinc/32/19/35/473321935.db2.gz TTZHLOCNXKQRTR-SFHVURJKSA-N 0 0 331.387 2.867 50 0 EFAARN COC(=O)c1ccc(NC(=O)N(C)Cc2noc(C3CC3)n2)c(C)c1 ZINC000096166236 473322183 /nfs/dbraw/zinc/32/21/83/473322183.db2.gz KMRCJOLGQPXAFH-UHFFFAOYSA-N 0 0 344.371 2.706 50 0 EFAARN c1ccc(-c2noc(CCNc3nccc(-c4ccncc4)n3)n2)nc1 ZINC000096166775 473322850 /nfs/dbraw/zinc/32/28/50/473322850.db2.gz QPXFOLPVVLVEMO-UHFFFAOYSA-N 0 0 345.366 2.638 50 0 EFAARN O=C(NCCCc1cccnc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000096180592 473323290 /nfs/dbraw/zinc/32/32/90/473323290.db2.gz FAVCPWRKKQMLFU-UHFFFAOYSA-N 0 0 338.411 2.963 50 0 EFAARN COc1ccc(-c2ccc(C(=O)N(C)CCn3cccn3)o2)cc1 ZINC000096180497 473323531 /nfs/dbraw/zinc/32/35/31/473323531.db2.gz HPLDONOIWQVNTL-UHFFFAOYSA-N 0 0 325.368 2.924 50 0 EFAARN CCCCn1nc(CC(N)=O)nc1-c1c(C)c2cc(F)ccc2n1C ZINC000096180881 473323588 /nfs/dbraw/zinc/32/35/88/473323588.db2.gz OGAASJZBCLGHRB-UHFFFAOYSA-N 0 0 343.406 2.712 50 0 EFAARN COc1ccc(N2CCC[C@H](C(=O)NC3CCCCCC3)C2)nn1 ZINC000096231521 473360698 /nfs/dbraw/zinc/36/06/98/473360698.db2.gz JKEBBRIKUZLSQD-AWEZNQCLSA-N 0 0 332.448 2.541 50 0 EFAARN CCOC(=O)CCC(CCC(=O)OCC)NC(=O)OC(C)(C)C ZINC000096300346 473372513 /nfs/dbraw/zinc/37/25/13/473372513.db2.gz GZXIWQQTPZIMPG-UHFFFAOYSA-N 0 0 331.409 2.566 50 0 EFAARN CCOc1ccccc1NC(=O)CSc1cc(C)nc2ncnn21 ZINC000096306361 473374127 /nfs/dbraw/zinc/37/41/27/473374127.db2.gz ZUKRNLBZQKSXIQ-UHFFFAOYSA-N 0 0 343.412 2.562 50 0 EFAARN CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344306 473374734 /nfs/dbraw/zinc/37/47/34/473374734.db2.gz ZRTAXKUMIKMOLT-OAHLLOKOSA-N 0 0 348.406 2.574 50 0 EFAARN COc1ccc2c(ccn2CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000096343852 473374969 /nfs/dbraw/zinc/37/49/69/473374969.db2.gz BOUVCCVVUXMFJW-UZLBHIALSA-N 0 0 342.439 2.804 50 0 biogenic EFAARN Cc1ccc([C@H](CNC(=O)c2cccc(N(C)C)c2)OCCO)cc1 ZINC000096337649 473375253 /nfs/dbraw/zinc/37/52/53/473375253.db2.gz YSCVBPVSMAXDSM-IBGZPJMESA-N 0 0 342.439 2.541 50 0 EFAARN COc1cc([C@H]2O[C@H]2C(=O)c2ccccc2)c(OC)c2c1OCO2 ZINC000096325943 473375372 /nfs/dbraw/zinc/37/53/72/473375372.db2.gz QEKVTCOLISOJHF-WBVHZDCISA-N 0 0 328.320 2.755 50 0 EFAARN Cc1ccc(OCC(=O)N2CC(c3nc(-c4ccco4)no3)C2)cc1 ZINC000096327453 473375380 /nfs/dbraw/zinc/37/53/80/473375380.db2.gz NTBKCWIOSVECIR-UHFFFAOYSA-N 0 0 339.351 2.643 50 0 EFAARN O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccccc1Cl ZINC000096345529 473375688 /nfs/dbraw/zinc/37/56/88/473375688.db2.gz IDJNOKNTRCIUON-UHFFFAOYSA-N 0 0 331.803 2.804 50 0 EFAARN Cc1nnsc1C(=O)NCc1cccc(Oc2ccccn2)c1 ZINC000096382397 473377039 /nfs/dbraw/zinc/37/70/39/473377039.db2.gz FYLROYXBJOENJH-UHFFFAOYSA-N 0 0 326.381 2.964 50 0 EFAARN CO[C@H](CNS(=O)(=O)c1ccc(C)s1)c1cccc(F)c1 ZINC000096388392 473377382 /nfs/dbraw/zinc/37/73/82/473377382.db2.gz IFXJNHPUSZOQJD-CYBMUJFWSA-N 0 0 329.418 2.862 50 0 EFAARN COc1cccc([C@H](CNC(=O)c2cc(OC)cc(OC)c2)OC)c1 ZINC000096389913 473377681 /nfs/dbraw/zinc/37/76/81/473377681.db2.gz OISAADVQCCBLLE-SFHVURJKSA-N 0 0 345.395 2.830 50 0 EFAARN COc1ccc(CC(=O)NC[C@H](OC)c2cccc(F)c2)cc1OC ZINC000096388181 473378143 /nfs/dbraw/zinc/37/81/43/473378143.db2.gz KIIWDDVRKKVCMJ-SFHVURJKSA-N 0 0 347.386 2.889 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000000027692 471317263 /nfs/dbraw/zinc/31/72/63/471317263.db2.gz GHZGHHLJVPVHAJ-GFCCVEGCSA-N 0 0 328.290 2.896 50 0 EFAARN COC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000000277716 471342458 /nfs/dbraw/zinc/34/24/58/471342458.db2.gz BGLNHMZXHFXRNA-UHFFFAOYSA-N 0 0 329.175 2.764 50 0 EFAARN COc1ccc(CCNS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000000032597 471317621 /nfs/dbraw/zinc/31/76/21/471317621.db2.gz RQQQKUPKZGVHGT-UHFFFAOYSA-N 0 0 337.466 2.938 50 0 EFAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1F ZINC000000035024 471318536 /nfs/dbraw/zinc/31/85/36/471318536.db2.gz UGAZHMOEFIALIK-UHFFFAOYSA-N 0 0 349.728 2.910 50 0 EFAARN COc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000037075 471318795 /nfs/dbraw/zinc/31/87/95/471318795.db2.gz DMJCMROEUXLSAM-UHFFFAOYSA-N 0 0 344.436 2.916 50 0 EFAARN CCOc1nc(NCc2ccccc2)nc(NCc2cccnc2)n1 ZINC000000070505 471319353 /nfs/dbraw/zinc/31/93/53/471319353.db2.gz DBHGNDWVUGWTGL-UHFFFAOYSA-N 0 0 336.399 2.890 50 0 EFAARN COc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000000076932 471319380 /nfs/dbraw/zinc/31/93/80/471319380.db2.gz CFIQWNVXHGHGBF-UHFFFAOYSA-N 0 0 337.379 2.745 50 0 EFAARN CCOc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1OCC ZINC000000072317 471319762 /nfs/dbraw/zinc/31/97/62/471319762.db2.gz ACIPQLIOAIFOEU-UHFFFAOYSA-N 0 0 342.395 2.764 50 0 EFAARN CCOc1ccc(N2C(=O)C[C@@H](Sc3ccccn3)C2=O)cc1 ZINC000000085285 471320251 /nfs/dbraw/zinc/32/02/51/471320251.db2.gz XOWOVPCKLMEVNI-CQSZACIVSA-N 0 0 328.393 2.905 50 0 EFAARN O=C(NC(=S)N[C@H]1CCSC1=O)c1ccc(Cl)cc1Cl ZINC000000083873 471320961 /nfs/dbraw/zinc/32/09/61/471320961.db2.gz JPVOWHIERGKNJJ-VIFPVBQESA-N 0 0 349.264 2.630 50 0 EFAARN CCOc1ccc(Br)cc1S(=O)(=O)N1CCCC1 ZINC000000079804 471320993 /nfs/dbraw/zinc/32/09/93/471320993.db2.gz XAXMGOGSARFMQN-UHFFFAOYSA-N 0 0 334.235 2.632 50 0 EFAARN COc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1 ZINC000000081775 471321028 /nfs/dbraw/zinc/32/10/28/471321028.db2.gz MCHCOOSANRZQEK-UHFFFAOYSA-N 0 0 325.361 2.952 50 0 EFAARN COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(Cl)s1 ZINC000000089608 471321922 /nfs/dbraw/zinc/32/19/22/471321922.db2.gz RPEVGPXTIGYTNH-UHFFFAOYSA-N 0 0 327.789 2.544 50 0 EFAARN Oc1ccc(Nc2nc3nonc3nc2Nc2ccc(O)cc2)cc1 ZINC000000086524 471322248 /nfs/dbraw/zinc/32/22/48/471322248.db2.gz QDUNQAXSAIJALV-UHFFFAOYSA-N 0 0 336.311 2.911 50 0 EFAARN Cc1cccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)n3)C2=O)c1 ZINC000000087756 471322319 /nfs/dbraw/zinc/32/23/19/471322319.db2.gz QCEZRVOZFVYGFK-CQSZACIVSA-N 0 0 327.409 2.826 50 0 EFAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 ZINC000000098329 471323103 /nfs/dbraw/zinc/32/31/03/471323103.db2.gz MLDHOTDJUUHWDH-UHFFFAOYSA-N 0 0 339.420 2.976 50 0 EFAARN Cc1ccc(-c2nnc3s/c(=C\c4cccs4)c(=O)n32)cc1 ZINC000000100827 471323121 /nfs/dbraw/zinc/32/31/21/471323121.db2.gz GCGHEKGGYSWYOL-LCYFTJDESA-N 0 0 325.418 2.736 50 0 EFAARN COc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)[C@@]3(C)O)c2c1 ZINC000000105578 471324620 /nfs/dbraw/zinc/32/46/20/471324620.db2.gz HGBOWIDELJGGCL-GOSISDBHSA-N 0 0 332.400 2.967 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000000112305 471325144 /nfs/dbraw/zinc/32/51/44/471325144.db2.gz FKFKWZXABYOXTM-UHFFFAOYSA-N 0 0 332.350 2.936 50 0 EFAARN Cc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2 ZINC000000111511 471325490 /nfs/dbraw/zinc/32/54/90/471325490.db2.gz LNYVUOUSOYNVLE-UHFFFAOYSA-N 0 0 328.393 2.816 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)NC(=O)N1 ZINC000000124314 471326339 /nfs/dbraw/zinc/32/63/39/471326339.db2.gz NAOJNYMMDVGEOY-INIZCTEOSA-N 0 0 348.399 2.675 50 0 EFAARN O=C(CSc1nnc2sc3ccccc3n12)NCc1ccco1 ZINC000000125910 471326368 /nfs/dbraw/zinc/32/63/68/471326368.db2.gz ATZUYLZSVOGEAL-UHFFFAOYSA-N 0 0 344.421 2.946 50 0 EFAARN COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CCN1C ZINC000000135453 471326849 /nfs/dbraw/zinc/32/68/49/471326849.db2.gz LZJRNLRASBVRRX-CYBMUJFWSA-N 0 0 327.380 2.867 50 0 endogenous,in-man EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1OC ZINC000000130853 471327267 /nfs/dbraw/zinc/32/72/67/471327267.db2.gz YKMMAABLFLKYQC-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN COc1ccc(CCNC(=O)COc2ccccc2C)cc1OC ZINC000000130061 471327365 /nfs/dbraw/zinc/32/73/65/471327365.db2.gz XPVHCZSUBBGYBV-UHFFFAOYSA-N 0 0 329.396 2.750 50 0 biogenic EFAARN COc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(O)c2)C1=O ZINC000000142121 471327697 /nfs/dbraw/zinc/32/76/97/471327697.db2.gz QSQSSJGQLUMOED-UHFFFAOYSA-N 0 0 344.754 2.837 50 0 EFAARN CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000144619 471327887 /nfs/dbraw/zinc/32/78/87/471327887.db2.gz KJJCFGQWSZWPHI-MNOVXSKESA-N 0 0 334.441 2.925 50 0 EFAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cccc(F)c1)C(=O)C2 ZINC000000142866 471328020 /nfs/dbraw/zinc/32/80/20/471328020.db2.gz CGOQBYWIPREIDA-BDJLRTHQSA-N 0 0 325.405 2.963 50 0 EFAARN CCCC1=Nc2ncnn2[C@H](c2cccc(OC)c2)C1C(=O)OCC ZINC000000149343 471329020 /nfs/dbraw/zinc/32/90/20/471329020.db2.gz JMRCAGJNOVFTHV-MRXNPFEDSA-N 0 0 342.399 2.919 50 0 EFAARN O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1c1ccccc1F ZINC000000149402 471329452 /nfs/dbraw/zinc/32/94/52/471329452.db2.gz KPXLBKXXLDVOLN-UHFFFAOYSA-N 0 0 332.718 2.967 50 0 EFAARN COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Cl ZINC000000168234 471329922 /nfs/dbraw/zinc/32/99/22/471329922.db2.gz HGSUELJOTQHWLL-UHFFFAOYSA-N 0 0 332.665 2.691 50 0 EFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(F)c1 ZINC000000170593 471330093 /nfs/dbraw/zinc/33/00/93/471330093.db2.gz LDSGMSNBXPHLPK-UHFFFAOYSA-N 0 0 329.360 2.532 50 0 EFAARN Cc1nnsc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000158501 471330156 /nfs/dbraw/zinc/33/01/56/471330156.db2.gz HQSCBWOIEVBPQW-UHFFFAOYSA-N 0 0 337.832 2.624 50 0 EFAARN CCOC(=O)CSc1nnc(-c2ccc3ncccc3c2)n1C ZINC000000171492 471330359 /nfs/dbraw/zinc/33/03/59/471330359.db2.gz YMFXOZXSNCHDSC-UHFFFAOYSA-N 0 0 328.397 2.686 50 0 EFAARN Clc1ccccc1Cn1nnc2c1ncnc2N1CCCCC1 ZINC000000159230 471330583 /nfs/dbraw/zinc/33/05/83/471330583.db2.gz RHNNFIDMLJYXSZ-UHFFFAOYSA-N 0 0 328.807 2.913 50 0 EFAARN O=C1c2ccccc2C(=O)N1Cc1nc2cc(Cl)ccc2c(=O)o1 ZINC000000182059 471331859 /nfs/dbraw/zinc/33/18/59/471331859.db2.gz PIBACOQSTTYEDM-UHFFFAOYSA-N 0 0 340.722 2.638 50 0 EFAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc2ncccc2c1 ZINC000000190253 471332170 /nfs/dbraw/zinc/33/21/70/471332170.db2.gz KYEJLMDSTYXOGU-INIZCTEOSA-N 0 0 335.367 2.678 50 0 EFAARN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1O ZINC000000187767 471332206 /nfs/dbraw/zinc/33/22/06/471332206.db2.gz JRZJFINUEMXOPS-WMLDXEAASA-N 0 0 338.363 2.570 50 0 biogenic EFAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1OC ZINC000000187697 471332297 /nfs/dbraw/zinc/33/22/97/471332297.db2.gz YSZJQZKAXVXPHR-NSHDSACASA-N 0 0 345.182 2.803 50 0 EFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 ZINC000000192897 471332378 /nfs/dbraw/zinc/33/23/78/471332378.db2.gz WLXKXWZVIUKERG-UHFFFAOYSA-N 0 0 346.452 2.647 50 0 EFAARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C)cc1 ZINC000000184127 471332746 /nfs/dbraw/zinc/33/27/46/471332746.db2.gz XMYVGMGLHBNXAV-UHFFFAOYSA-N 0 0 329.396 2.918 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC(F)F)cc1 ZINC000000190531 471332767 /nfs/dbraw/zinc/33/27/67/471332767.db2.gz RIICZFJCKNTNDW-LBPRGKRZSA-N 0 0 342.367 2.644 50 0 EFAARN Cc1cc(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c(C)c1 ZINC000000197642 471333031 /nfs/dbraw/zinc/33/30/31/471333031.db2.gz IQGXQMVMNRNQLK-UHFFFAOYSA-N 0 0 338.455 2.768 50 0 EFAARN O=C(CS(=O)(=O)c1c[nH]c2ccccc21)Nc1ccc(F)cc1 ZINC000000201414 471333141 /nfs/dbraw/zinc/33/31/41/471333141.db2.gz FFXNTBQAZOZHCC-UHFFFAOYSA-N 0 0 332.356 2.719 50 0 EFAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CCc1ccccc1 ZINC000000195805 471333247 /nfs/dbraw/zinc/33/32/47/471333247.db2.gz KWNUWGGJLMFQPM-MRXNPFEDSA-N 0 0 346.814 2.954 50 0 EFAARN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]CCc1ccccc1 ZINC000000195801 471333394 /nfs/dbraw/zinc/33/33/94/471333394.db2.gz KWNUWGGJLMFQPM-INIZCTEOSA-N 0 0 346.814 2.954 50 0 EFAARN COc1c2ccoc2nc2c1CC[C@H](O)[C@@]2(CCC(C)(C)O)OC ZINC000000199438 471333816 /nfs/dbraw/zinc/33/38/16/471333816.db2.gz KHGNFPUMBJSZSM-SCLBCKFNSA-N 0 0 335.400 2.536 50 0 biogenic EFAARN COc1ccc(-c2nc(N)n(C(=O)c3ccccc3Cl)n2)cc1 ZINC000000205357 471334555 /nfs/dbraw/zinc/33/45/55/471334555.db2.gz QTWBBGDOWWLJBD-UHFFFAOYSA-N 0 0 328.759 2.878 50 0 EFAARN COc1cccc(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c1 ZINC000000202666 471334733 /nfs/dbraw/zinc/33/47/33/471334733.db2.gz QPYXDYFTEKSINJ-RDTXWAMCSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN CCCN1C(=O)C(=Cc2ccc(OCC(=O)OCC)cc2)NC1=S ZINC000000202760 471334961 /nfs/dbraw/zinc/33/49/61/471334961.db2.gz FEQLCHHILJGYDR-UVTDQMKNSA-N 0 0 348.424 2.507 50 0 EFAARN CCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc32)ccc1C ZINC000000204036 471335006 /nfs/dbraw/zinc/33/50/06/471335006.db2.gz IMDIFAXXFQJNFS-UHFFFAOYSA-N 0 0 335.407 2.935 50 0 EFAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccco2)C[S@](=O)C3)cc1 ZINC000000212340 471335551 /nfs/dbraw/zinc/33/55/51/471335551.db2.gz NVVDWRVCYATLJI-XMMPIXPASA-N 0 0 341.392 2.788 50 0 EFAARN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccn1)c1ccccc1 ZINC000000217272 471336910 /nfs/dbraw/zinc/33/69/10/471336910.db2.gz DLZRHJLVPRKLFK-SFHVURJKSA-N 0 0 344.374 2.993 50 0 EFAARN COc1ccc(OC)c(N2Cc3ccc(OC)c(OC)c3C2=O)c1 ZINC000000229738 471338647 /nfs/dbraw/zinc/33/86/47/471338647.db2.gz PDWOIUIMPANOEY-UHFFFAOYSA-N 0 0 329.352 2.881 50 0 EFAARN CCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000000234739 471339257 /nfs/dbraw/zinc/33/92/57/471339257.db2.gz WEAWSYNYTRKMHP-UHFFFAOYSA-N 0 0 330.453 2.760 50 0 EFAARN COc1cc(C(=O)Nc2nc3ccccc3n2C)cc(OC)c1OC ZINC000000235604 471339414 /nfs/dbraw/zinc/33/94/14/471339414.db2.gz SDCYMXKKLIGSOC-UHFFFAOYSA-N 0 0 341.367 2.851 50 0 EFAARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(C)cc1 ZINC000000251345 471339813 /nfs/dbraw/zinc/33/98/13/471339813.db2.gz IHRKBZGURKBWFR-INIZCTEOSA-N 0 0 325.364 2.958 50 0 EFAARN COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1OC ZINC000000249247 471340604 /nfs/dbraw/zinc/34/06/04/471340604.db2.gz LDMNDYIVMQGTTO-UHFFFAOYSA-N 0 0 325.430 2.873 50 0 EFAARN CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000255733 471341073 /nfs/dbraw/zinc/34/10/73/471341073.db2.gz PFIXTWKCGGGEDS-GFCCVEGCSA-N 0 0 338.363 2.709 50 0 EFAARN CC(C)c1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000000268839 471341862 /nfs/dbraw/zinc/34/18/62/471341862.db2.gz OBYDYKNAJJBLCT-UHFFFAOYSA-N 0 0 338.473 2.635 50 0 EFAARN CSc1nc(-c2ccccc2)nc(N2CCOCC2)c1C(C)=O ZINC000000273230 471342351 /nfs/dbraw/zinc/34/23/51/471342351.db2.gz MQSRVOBGPGKVPS-UHFFFAOYSA-N 0 0 329.425 2.905 50 0 EFAARN O=C(Cc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F ZINC000000269957 471342482 /nfs/dbraw/zinc/34/24/82/471342482.db2.gz LIXCGTOGASQPEM-MRXNPFEDSA-N 0 0 349.312 2.512 50 0 EFAARN CC(C)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000000279395 471342714 /nfs/dbraw/zinc/34/27/14/471342714.db2.gz IEBOPGRFOMBOFI-UHFFFAOYSA-N 0 0 339.439 2.933 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccccc2)n1 ZINC000000280026 471342943 /nfs/dbraw/zinc/34/29/43/471342943.db2.gz DETMSEXNDGUNJD-NSHDSACASA-N 0 0 334.397 2.655 50 0 EFAARN COc1cc(C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC ZINC000000292052 471343992 /nfs/dbraw/zinc/34/39/92/471343992.db2.gz WIMOQQGTQWUOJE-UHFFFAOYSA-N 0 0 344.367 2.923 50 0 EFAARN COC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)OC)c1 ZINC000000304537 471344491 /nfs/dbraw/zinc/34/44/91/471344491.db2.gz 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/nfs/dbraw/zinc/34/60/09/471346009.db2.gz WINCJZXSSVSPQF-UHFFFAOYSA-N 0 0 329.425 2.673 50 0 EFAARN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1Cl ZINC000000308471 471346050 /nfs/dbraw/zinc/34/60/50/471346050.db2.gz ZBXPKONSEXRXQU-UHFFFAOYSA-N 0 0 333.800 2.566 50 0 EFAARN Cc1cc(OCC(=O)NC[C@H]2CCCO2)cc(C)c1Br ZINC000000311014 471346120 /nfs/dbraw/zinc/34/61/20/471346120.db2.gz KLKRVYWGKCEDSY-GFCCVEGCSA-N 0 0 342.233 2.740 50 0 EFAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1Br ZINC000000319167 471347966 /nfs/dbraw/zinc/34/79/66/471347966.db2.gz RUWSQORWAIYGOH-LBPRGKRZSA-N 0 0 328.206 2.767 50 0 EFAARN Nc1c(C(=O)NC[C@H]2CCCO2)sc(=S)n1-c1ccccc1 ZINC000000314259 471346632 /nfs/dbraw/zinc/34/66/32/471346632.db2.gz HIZMHZJVBVKXFK-LLVKDONJSA-N 0 0 335.454 2.759 50 0 EFAARN CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2C1=O ZINC000000312774 471347218 /nfs/dbraw/zinc/34/72/18/471347218.db2.gz SZAXMFIHEHZNTE-UHFFFAOYSA-N 0 0 330.727 2.524 50 0 EFAARN Nc1c(C(=O)NC[C@@H]2CCCO2)sc(=S)n1-c1ccccc1 ZINC000000314260 471347406 /nfs/dbraw/zinc/34/74/06/471347406.db2.gz HIZMHZJVBVKXFK-NSHDSACASA-N 0 0 335.454 2.759 50 0 EFAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccc(Cl)cc3)nc2N)cc1 ZINC000000350099 471349316 /nfs/dbraw/zinc/34/93/16/471349316.db2.gz CZGNHKYDHAHQPJ-UHFFFAOYSA-N 0 0 348.815 2.726 50 0 EFAARN COc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F ZINC000000341121 471349622 /nfs/dbraw/zinc/34/96/22/471349622.db2.gz RIZJWUMNEWOPMB-UHFFFAOYSA-N 0 0 331.212 2.880 50 0 EFAARN CN1C(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2C1=O ZINC000000359592 471350483 /nfs/dbraw/zinc/35/04/83/471350483.db2.gz WBNGEEMZIGTEOB-UHFFFAOYSA-N 0 0 349.140 2.520 50 0 EFAARN O=C(c1cccc(I)c1)n1cc(Cl)cn1 ZINC000000356014 471350641 /nfs/dbraw/zinc/35/06/41/471350641.db2.gz IXYLDIYUHUXFHO-UHFFFAOYSA-N 0 0 332.528 2.830 50 0 EFAARN CCOc1cc(Cl)c(/C=C2/NC(=S)N(C)C2=O)cc1OCC ZINC000000359939 471350808 /nfs/dbraw/zinc/35/08/08/471350808.db2.gz KQUFJIFOFWSCCV-IZZDOVSWSA-N 0 0 340.832 2.825 50 0 EFAARN CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O ZINC000000353879 471351075 /nfs/dbraw/zinc/35/10/75/471351075.db2.gz JSFVCPISHRGLQN-UHFFFAOYSA-N 0 0 325.320 2.673 50 0 EFAARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000000358823 471351109 /nfs/dbraw/zinc/35/11/09/471351109.db2.gz UTVGLXAPCHBVSH-UHFFFAOYSA-N 0 0 345.399 2.935 50 0 EFAARN CCNc1nnc(CCn2nc(C)c(Br)c2C)s1 ZINC000000374723 471351628 /nfs/dbraw/zinc/35/16/28/471351628.db2.gz LQBXDGXVNDNUSF-UHFFFAOYSA-N 0 0 330.255 2.788 50 0 EFAARN CN(c1ccccc1C(=O)Nc1ccc(F)cc1F)S(C)(=O)=O ZINC000000361662 471351736 /nfs/dbraw/zinc/35/17/36/471351736.db2.gz DNJUZOUGDJPKOY-UHFFFAOYSA-N 0 0 340.351 2.613 50 0 EFAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000367971 471352113 /nfs/dbraw/zinc/35/21/13/471352113.db2.gz AJFZQQYWAWELBA-UHFFFAOYSA-N 0 0 325.368 2.803 50 0 EFAARN CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000000379688 471352607 /nfs/dbraw/zinc/35/26/07/471352607.db2.gz ICGGRGAHORHKGA-UHFFFAOYSA-N 0 0 346.452 2.629 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000000382636 471352647 /nfs/dbraw/zinc/35/26/47/471352647.db2.gz FLQDBJAQUCBABY-UHFFFAOYSA-N 0 0 344.436 2.712 50 0 EFAARN Cc1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c(C)c1 ZINC000000379567 471352813 /nfs/dbraw/zinc/35/28/13/471352813.db2.gz FNQOIPMUFLPXRK-UHFFFAOYSA-N 0 0 338.473 2.518 50 0 EFAARN COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c(OC)c1 ZINC000000375262 471352933 /nfs/dbraw/zinc/35/29/33/471352933.db2.gz URQPMGQNHQONEO-UHFFFAOYSA-N 0 0 334.397 2.733 50 0 EFAARN O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000000379734 471353036 /nfs/dbraw/zinc/35/30/36/471353036.db2.gz AOFOZXXRNLNFET-UHFFFAOYSA-N 0 0 325.773 2.912 50 0 EFAARN Cc1ccccc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O ZINC000000389220 471353947 /nfs/dbraw/zinc/35/39/47/471353947.db2.gz NJYCTROJERXVKP-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN Cc1ccc(O)c(C(=O)CSc2nnnn2-c2ccccc2)c1 ZINC000000389937 471353990 /nfs/dbraw/zinc/35/39/90/471353990.db2.gz DXBGFGAWBKBOAC-UHFFFAOYSA-N 0 0 326.381 2.651 50 0 EFAARN COc1ccc([C@H]2Nc3ccc(OC)cc3SC(=O)[C@@H]2O)cc1 ZINC000000386950 471354072 /nfs/dbraw/zinc/35/40/72/471354072.db2.gz LRNCOGWUGWGGJP-HZPDHXFCSA-N 0 0 331.393 2.850 50 0 EFAARN CCN(C(=O)c1cc2c(nc3ccccn3c2=O)n1C)c1ccccc1 ZINC000000387243 471354102 /nfs/dbraw/zinc/35/41/02/471354102.db2.gz XEDSGGQYPXRCCQ-UHFFFAOYSA-N 0 0 346.390 2.853 50 0 EFAARN C[C@@H](C(=O)OCc1nc2ccccc2[nH]1)n1cnc2ccccc2c1=O ZINC000000389151 471354125 /nfs/dbraw/zinc/35/41/25/471354125.db2.gz VIZHGCLCIAXUCR-LBPRGKRZSA-N 0 0 348.362 2.577 50 0 EFAARN CSc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000000399654 471354485 /nfs/dbraw/zinc/35/44/85/471354485.db2.gz PVBMJYQGWAEWRW-UHFFFAOYSA-N 0 0 337.426 2.700 50 0 EFAARN CCOC(=O)CS[C@H]1Sc2ccccc2N1CC(=O)OCC ZINC000000405478 471354656 /nfs/dbraw/zinc/35/46/56/471354656.db2.gz ZYARCAKRXGQYQI-HNNXBMFYSA-N 0 0 341.454 2.742 50 0 EFAARN COc1ccc(CC(=O)Nn2c(-c3ccccc3)csc2=O)cc1 ZINC000000392175 471355051 /nfs/dbraw/zinc/35/50/51/471355051.db2.gz SVUXKMLYAUBQSZ-UHFFFAOYSA-N 0 0 340.404 2.898 50 0 EFAARN COc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1 ZINC000000401002 471355064 /nfs/dbraw/zinc/35/50/64/471355064.db2.gz UECJBCNPHNDPHG-UHFFFAOYSA-N 0 0 332.429 2.744 50 0 EFAARN COc1ccc(OC)c(NC(=O)[C@@H](OC(C)=O)c2ccccc2)c1 ZINC000000406478 471355189 /nfs/dbraw/zinc/35/51/89/471355189.db2.gz DBHPINTZFPKWKO-KRWDZBQOSA-N 0 0 329.352 2.947 50 0 EFAARN COc1ccccc1-c1nnc(SCC(N)=O)n1-c1ccccc1 ZINC000000422279 471357568 /nfs/dbraw/zinc/35/75/68/471357568.db2.gz BHJYWLRJWHTOAA-UHFFFAOYSA-N 0 0 340.408 2.520 50 0 EFAARN CCc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)c1 ZINC000000424253 471357575 /nfs/dbraw/zinc/35/75/75/471357575.db2.gz ZHLUJYIAQLGBQV-UHFFFAOYSA-N 0 0 338.363 2.803 50 0 EFAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000000422613 471357611 /nfs/dbraw/zinc/35/76/11/471357611.db2.gz SHWZBJOVAQMZMU-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000000428670 471358733 /nfs/dbraw/zinc/35/87/33/471358733.db2.gz BMYYYQHVCRKJFK-UHFFFAOYSA-N 0 0 344.436 2.959 50 0 EFAARN O=C(OCn1nnc2ccccc2c1=O)c1ccccc1C(F)(F)F ZINC000000428869 471358842 /nfs/dbraw/zinc/35/88/42/471358842.db2.gz UIJSBEHDXMBYKN-UHFFFAOYSA-N 0 0 349.268 2.625 50 0 EFAARN COc1ccc(CCNC(=O)c2noc3c2CCCCC3)cc1OC ZINC000000426553 471359052 /nfs/dbraw/zinc/35/90/52/471359052.db2.gz YTTGPOCOBIBWOP-UHFFFAOYSA-N 0 0 344.411 2.933 50 0 EFAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2O)cc1 ZINC000000438355 471359647 /nfs/dbraw/zinc/35/96/47/471359647.db2.gz SCFYBXPGXIWVOW-DHZHZOJOSA-N 0 0 328.393 2.927 50 0 EFAARN COc1ccc2oc(=Nc3cccc(C(C)=O)c3)c(C(N)=O)cc2c1 ZINC000000429941 471359908 /nfs/dbraw/zinc/35/99/08/471359908.db2.gz UJZKEGKHCMMEEU-VZCXRCSSSA-N 0 0 336.347 2.975 50 0 EFAARN COC(=O)c1cc(NC(=O)/C=C/c2cccs2)cc(C(=O)OC)c1 ZINC000000433956 471360067 /nfs/dbraw/zinc/36/00/67/471360067.db2.gz REGLVZABVIWSMI-AATRIKPKSA-N 0 0 345.376 2.973 50 0 EFAARN CC[C@]1(CCC(C)C)C(=O)NC(=O)N(C(=O)c2ccc(F)cc2)C1=O ZINC000000436972 471360360 /nfs/dbraw/zinc/36/03/60/471360360.db2.gz ZXCQNSJGVZQDCJ-SFHVURJKSA-N 0 0 348.374 2.877 50 0 EFAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)c(Cl)c2)S1 ZINC000000448676 471361459 /nfs/dbraw/zinc/36/14/59/471361459.db2.gz LWQFPVYFAAPMTF-LLVKDONJSA-N 0 0 332.212 2.994 50 0 EFAARN COc1ccc(NC(=S)NC(=O)Cc2ccccc2)c(OC)c1 ZINC000000456084 471362098 /nfs/dbraw/zinc/36/20/98/471362098.db2.gz OTVQXBLDWXLWOE-UHFFFAOYSA-N 0 0 330.409 2.760 50 0 EFAARN CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000000468988 471363153 /nfs/dbraw/zinc/36/31/53/471363153.db2.gz TVEZUWINMIJMIX-UHFFFAOYSA-N 0 0 346.452 2.962 50 0 EFAARN O=C(Nc1ccccc1C(=O)N1CCCC[C@@H]1CCO)c1ccco1 ZINC000000469386 471363182 /nfs/dbraw/zinc/36/31/82/471363182.db2.gz PJYNXAPBONJOFC-CQSZACIVSA-N 0 0 342.395 2.909 50 0 EFAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCSC1=O ZINC000000463089 471363649 /nfs/dbraw/zinc/36/36/49/471363649.db2.gz FUBUTIUKVPKMEL-XVKPBYJWSA-N 0 0 334.224 2.909 50 0 EFAARN CCn1cc(CNC(=O)COc2ccc(Cl)cc2Cl)cn1 ZINC000000475585 471364288 /nfs/dbraw/zinc/36/42/88/471364288.db2.gz 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471381337 /nfs/dbraw/zinc/38/13/37/471381337.db2.gz QIWDQMBIKITZAJ-UHFFFAOYSA-N 0 0 348.443 2.953 50 0 EFAARN Cc1cc(OCC(=O)NC[C@H]2CCCO2)c(C)cc1Br ZINC000001066494 471381799 /nfs/dbraw/zinc/38/17/99/471381799.db2.gz FYLDKTODARKEBG-GFCCVEGCSA-N 0 0 342.233 2.740 50 0 EFAARN CCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(c2ccncc2)C1 ZINC000001208125 471381996 /nfs/dbraw/zinc/38/19/96/471381996.db2.gz QNWMXHNRWGCBJM-SFHVURJKSA-N 0 0 325.368 2.547 50 0 EFAARN Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000001164442 471382762 /nfs/dbraw/zinc/38/27/62/471382762.db2.gz ODSMGYIMQPCMBJ-UHFFFAOYSA-N 0 0 344.436 2.544 50 0 EFAARN CC(C)CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000001235348 471383135 /nfs/dbraw/zinc/38/31/35/471383135.db2.gz VDGXBFRDQCCCOR-GFCCVEGCSA-N 0 0 347.806 2.848 50 0 EFAARN CCOC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001321150 471384689 /nfs/dbraw/zinc/38/46/89/471384689.db2.gz UGVOIQMMDMPCRZ-JTQLQIEISA-N 0 0 329.381 2.644 50 0 EFAARN 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330.387 2.756 50 0 EFAARN COc1ccccc1-c1coc2cc(OS(C)(=O)=O)ccc2c1=O ZINC000001767348 471398463 /nfs/dbraw/zinc/39/84/63/471398463.db2.gz JDTDPCSGZOVMMK-UHFFFAOYSA-N 0 0 346.360 2.807 50 0 biogenic EFAARN COc1ccc(NC(=O)CSCC(=O)NC2CCCCC2)cc1 ZINC000001892669 471399723 /nfs/dbraw/zinc/39/97/23/471399723.db2.gz FRGKJNPHMGLYCX-UHFFFAOYSA-N 0 0 336.457 2.816 50 0 EFAARN NC(=O)COc1c(=O)c2ccccc2oc1-c1ccccc1Cl ZINC000001978795 471400693 /nfs/dbraw/zinc/40/06/93/471400693.db2.gz AWSLKFVMPUWSOA-UHFFFAOYSA-N 0 0 329.739 2.978 50 0 EFAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccn3)CC2=O)cc1 ZINC000002065671 471401032 /nfs/dbraw/zinc/40/10/32/471401032.db2.gz MNGIZVFAZVPSAC-AWEZNQCLSA-N 0 0 339.395 2.862 50 0 EFAARN CCOCCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000002065775 471401707 /nfs/dbraw/zinc/40/17/07/471401707.db2.gz IHBSFLOIIYBKKK-UHFFFAOYSA-N 0 0 342.244 2.707 50 0 EFAARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)c(OC)c1 ZINC000002057291 471401925 /nfs/dbraw/zinc/40/19/25/471401925.db2.gz 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/nfs/dbraw/zinc/40/38/07/471403807.db2.gz MNNKRGMSLHQOQF-UHFFFAOYSA-N 0 0 347.407 2.570 50 0 EFAARN Cc1cccnc1N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O ZINC000002244836 471404310 /nfs/dbraw/zinc/40/43/10/471404310.db2.gz XWWMQNAARGEOAT-HNNXBMFYSA-N 0 0 334.301 2.637 50 0 EFAARN COc1ccccc1N1C(=O)C=C(Sc2nc(C)cc(C)n2)C1=O ZINC000002236070 471404446 /nfs/dbraw/zinc/40/44/46/471404446.db2.gz OWXOSDICPADCGR-UHFFFAOYSA-N 0 0 341.392 2.651 50 0 EFAARN CCOC(=O)N[C@](Nc1ccc(C)cc1)(C(=O)OCC)C(F)(F)F ZINC000002274409 471404474 /nfs/dbraw/zinc/40/44/74/471404474.db2.gz GVCBRUQRVQCDHJ-CQSZACIVSA-N 0 0 348.321 2.975 50 0 EFAARN COCCCn1c(N)c(C(=O)OC(C)C)c2nc3ccccc3nc21 ZINC000002320925 471405365 /nfs/dbraw/zinc/40/53/65/471405365.db2.gz TYUPLSVIBIJVQS-UHFFFAOYSA-N 0 0 342.399 2.768 50 0 EFAARN C[C@]1(C(=O)Nc2nccs2)CC1(Br)Br ZINC000002315875 471405404 /nfs/dbraw/zinc/40/54/04/471405404.db2.gz CGGHLWWJPVHAPW-SSDOTTSWSA-N 0 0 340.040 2.978 50 0 EFAARN CCOC(=O)[C@](NC(=O)CC)(Nc1cccc(C)c1)C(F)(F)F ZINC000002306324 471405510 /nfs/dbraw/zinc/40/55/10/471405510.db2.gz YHJIVWWDGFPUJY-CQSZACIVSA-N 0 0 332.322 2.755 50 0 EFAARN C[C@@]1(C(=O)NC2CCCC2)CC1(Br)Br ZINC000002295062 471405639 /nfs/dbraw/zinc/40/56/39/471405639.db2.gz ZRJYETNLTPGEEH-VIFPVBQESA-N 0 0 325.044 2.941 50 0 EFAARN CC(C)(C)C(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1 ZINC000002388144 471406694 /nfs/dbraw/zinc/40/66/94/471406694.db2.gz LWIQLURPLHTKAT-UHFFFAOYSA-N 0 0 332.835 2.978 50 0 EFAARN O=C(C(=O)N1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000002383147 471407194 /nfs/dbraw/zinc/40/71/94/471407194.db2.gz DHSZCAQWNANREP-UHFFFAOYSA-N 0 0 333.391 2.699 50 0 EFAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccco1 ZINC000002384968 471407387 /nfs/dbraw/zinc/40/73/87/471407387.db2.gz ZZVGGCCUMFTDHV-IJDCCNJMSA-N 0 0 338.363 2.675 50 0 EFAARN CC[C@H](C)NC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002432629 471408171 /nfs/dbraw/zinc/40/81/71/471408171.db2.gz SCPDNIVZFGCQIV-VIFPVBQESA-N 0 0 329.429 2.746 50 0 EFAARN O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000002468927 471408201 /nfs/dbraw/zinc/40/82/01/471408201.db2.gz HBYRTPWYVCHCLR-INIZCTEOSA-N 0 0 346.180 2.862 50 0 EFAARN Cc1ccccc1-c1noc(CCC(=O)NCCCOC(C)C)n1 ZINC000002432705 471408510 /nfs/dbraw/zinc/40/85/10/471408510.db2.gz UFJBEMXSLJIPQN-UHFFFAOYSA-N 0 0 331.416 2.909 50 0 EFAARN CCCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 ZINC000002456781 471408956 /nfs/dbraw/zinc/40/89/56/471408956.db2.gz YUGJNHQBBCTEAY-QHCPKHFHSA-N 0 0 335.404 2.902 50 0 EFAARN CCCCOc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 ZINC000002497256 471409434 /nfs/dbraw/zinc/40/94/34/471409434.db2.gz AEXZDJIWRBVSQV-KRWDZBQOSA-N 0 0 330.428 2.983 50 0 EFAARN O=C(CN1C(=O)C(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000002507774 471409964 /nfs/dbraw/zinc/40/99/64/471409964.db2.gz AONDMQLCTQIABS-UHFFFAOYSA-N 0 0 348.280 2.873 50 0 EFAARN CCCc1nnc(NC(=O)c2cncc(Br)c2)s1 ZINC000002549537 471411054 /nfs/dbraw/zinc/41/10/54/471411054.db2.gz XXNUNWGDFKORMT-UHFFFAOYSA-N 0 0 327.207 2.900 50 0 EFAARN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCc3ccccc31)C(=O)C2 ZINC000002571201 471411322 /nfs/dbraw/zinc/41/13/22/471411322.db2.gz LOXVKOCAVQTELE-KSSFIOAISA-N 0 0 333.453 2.774 50 0 EFAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccccc2)cc1 ZINC000002651383 471415033 /nfs/dbraw/zinc/41/50/33/471415033.db2.gz GDRUIFHIQPXSMZ-UHFFFAOYSA-N 0 0 346.404 2.585 50 0 EFAARN COc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1 ZINC000002715821 471418196 /nfs/dbraw/zinc/41/81/96/471418196.db2.gz HGUNCHXSKWCAGT-UHFFFAOYSA-N 0 0 326.331 2.976 50 0 EFAARN CCOc1ccc(N2C(=O)C[C@H](Nc3ccccc3O)C2=O)cc1 ZINC000002728789 471418724 /nfs/dbraw/zinc/41/87/24/471418724.db2.gz MOKADRIVOQPNTI-HNNXBMFYSA-N 0 0 326.352 2.535 50 0 EFAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(F)ccc3F)nc2n1 ZINC000002768230 471419861 /nfs/dbraw/zinc/41/98/61/471419861.db2.gz ANQRQKBPBJXJHQ-UHFFFAOYSA-N 0 0 339.252 2.901 50 0 EFAARN O=C(CCSCCC(=O)Nc1cccnc1)Nc1cccnc1 ZINC000002764638 471420126 /nfs/dbraw/zinc/42/01/26/471420126.db2.gz FDCTXXUWVCHPQG-UHFFFAOYSA-N 0 0 330.413 2.567 50 0 EFAARN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)c(Cl)c1)[C@@H]1CCCO1 ZINC000002772721 471420365 /nfs/dbraw/zinc/42/03/65/471420365.db2.gz NQTBZIPRGRLTCL-KBPBESRZSA-N 0 0 338.791 2.575 50 0 EFAARN Cn1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)n1 ZINC000002777781 471420642 /nfs/dbraw/zinc/42/06/42/471420642.db2.gz HYJKPEGCIWCKAY-UHFFFAOYSA-N 0 0 347.728 2.805 50 0 EFAARN COC(=O)c1c2c(sc1NC(=O)c1ccnn1C(F)F)CCC2 ZINC000002780682 471421288 /nfs/dbraw/zinc/42/12/88/471421288.db2.gz PSOWHZHXKQWZSZ-UHFFFAOYSA-N 0 0 341.339 2.867 50 0 EFAARN Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000002780700 471421484 /nfs/dbraw/zinc/42/14/84/471421484.db2.gz USCOIPGRIQJAHU-BDAKNGLRSA-N 0 0 339.745 2.720 50 0 EFAARN COc1cc(C=C2NC(=S)N(C3CC3)C2=O)ccc1OC(F)F ZINC000002789545 471421831 /nfs/dbraw/zinc/42/18/31/471421831.db2.gz FUSSXJCMZAZTGD-POHAHGRESA-N 0 0 340.351 2.928 50 0 EFAARN COc1ccccc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000002795623 471422154 /nfs/dbraw/zinc/42/21/54/471422154.db2.gz XQVKIXAPLSREED-JTQLQIEISA-N 0 0 338.205 2.929 50 0 EFAARN CCOc1cc(C(=O)Nc2cnn(C)c2C)ccc1OC(F)F ZINC000002796417 471422214 /nfs/dbraw/zinc/42/22/14/471422214.db2.gz JJYHRFGSWKSDAB-UHFFFAOYSA-N 0 0 325.315 2.981 50 0 EFAARN COc1ccc(NC(=O)[C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000002795613 471422237 /nfs/dbraw/zinc/42/22/37/471422237.db2.gz SXULQBUBCXRFIJ-JTQLQIEISA-N 0 0 338.205 2.929 50 0 EFAARN CCn1cc(NC(=O)c2ccccc2C)c(C(=O)NCC(C)C)n1 ZINC000002795729 471422287 /nfs/dbraw/zinc/42/22/87/471422287.db2.gz IVWVICOSJIZZGI-UHFFFAOYSA-N 0 0 328.416 2.850 50 0 EFAARN COC(=O)[C@@H]1CCCN1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000002803400 471422298 /nfs/dbraw/zinc/42/22/98/471422298.db2.gz RXVMZMULPWVZPQ-AAEUAGOBSA-N 0 0 334.416 2.603 50 0 EFAARN Cc1nn(C)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 ZINC000002804559 471422522 /nfs/dbraw/zinc/42/25/22/471422522.db2.gz ZPKDOWNOIFVHMI-CYBMUJFWSA-N 0 0 344.440 2.559 50 0 EFAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000002804117 471422780 /nfs/dbraw/zinc/42/27/80/471422780.db2.gz HOHZOXGQSWSXHL-VIFPVBQESA-N 0 0 329.372 2.935 50 0 EFAARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NCc1ccco1 ZINC000002809209 471423281 /nfs/dbraw/zinc/42/32/81/471423281.db2.gz FGSUTEUCDFODIH-UHFFFAOYSA-N 0 0 343.404 2.913 50 0 EFAARN Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NC[C@@H]1CCCO1 ZINC000002804701 471423368 /nfs/dbraw/zinc/42/33/68/471423368.db2.gz HDWZCKATGXPKPT-VIFPVBQESA-N 0 0 339.745 2.549 50 0 EFAARN NC(=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000002829255 471423384 /nfs/dbraw/zinc/42/33/84/471423384.db2.gz FVBBOMFLUOYWJX-UHFFFAOYSA-N 0 0 339.376 2.659 50 0 EFAARN O=C1C[C@@H](SCCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000002838217 471424062 /nfs/dbraw/zinc/42/40/62/471424062.db2.gz NMXOWZWKWYAIRA-MRXNPFEDSA-N 0 0 343.404 2.836 50 0 EFAARN COc1cc(NC(=O)c2cc(OC)c(OC)cc2OC)cc(OC)c1 ZINC000002845699 471425018 /nfs/dbraw/zinc/42/50/18/471425018.db2.gz HOPZSGWWGFZCMD-UHFFFAOYSA-N 0 0 347.367 2.982 50 0 EFAARN CCCNc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)n1 ZINC000002847070 471425156 /nfs/dbraw/zinc/42/51/56/471425156.db2.gz JMWHPPNUCXEJCB-UHFFFAOYSA-N 0 0 328.420 2.582 50 0 EFAARN O=S(=O)(NCCOc1cccc2cccnc21)c1ccc(F)cc1 ZINC000002876149 471426433 /nfs/dbraw/zinc/42/64/33/471426433.db2.gz TZTKRJYVFJUQHC-UHFFFAOYSA-N 0 0 346.383 2.731 50 0 EFAARN O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1nccs1 ZINC000002879900 471426754 /nfs/dbraw/zinc/42/67/54/471426754.db2.gz CTFYBCCDFZKKBF-UHFFFAOYSA-N 0 0 331.426 2.583 50 0 EFAARN COc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000002872516 471426916 /nfs/dbraw/zinc/42/69/16/471426916.db2.gz UWTKKJMLGRXJDZ-UHFFFAOYSA-N 0 0 331.324 2.693 50 0 EFAARN O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000002881721 471426933 /nfs/dbraw/zinc/42/69/33/471426933.db2.gz UFCZBKFZBSIQED-INIZCTEOSA-N 0 0 326.352 2.762 50 0 EFAARN COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1 ZINC000002889987 471427782 /nfs/dbraw/zinc/42/77/82/471427782.db2.gz JNCSXGVXEYIXJR-UHFFFAOYSA-N 0 0 334.397 2.652 50 0 EFAARN CCc1noc(-c2[nH]c3ccccc3c2C(=O)C(=O)N(C)C)c1C ZINC000002942705 471428909 /nfs/dbraw/zinc/42/89/09/471428909.db2.gz RBFMSOZXUUNGHX-UHFFFAOYSA-N 0 0 325.368 2.965 50 0 EFAARN Cc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)CS2(=O)=O)cc1 ZINC000003016242 471430518 /nfs/dbraw/zinc/43/05/18/471430518.db2.gz FHQRDPMRHMYSJZ-GZTJUZNOSA-N 0 0 342.420 2.976 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCc1ccco1 ZINC000003092908 471431312 /nfs/dbraw/zinc/43/13/12/471431312.db2.gz CINGPRJRJRKWAR-UHFFFAOYSA-N 0 0 331.397 2.561 50 0 EFAARN COc1ccc(S(=O)(=O)Oc2ccc(-c3csnn3)cc2)cc1 ZINC000003104182 471433065 /nfs/dbraw/zinc/43/30/65/471433065.db2.gz UVGBGCKKQQGHAW-UHFFFAOYSA-N 0 0 348.405 2.981 50 0 EFAARN CCOC(=O)[C@@](NC(C)=O)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000003138685 471433298 /nfs/dbraw/zinc/43/32/98/471433298.db2.gz NHCPHGHJDZTWRB-CQSZACIVSA-N 0 0 332.322 2.673 50 0 EFAARN Nc1ncc(-c2nnnn2-c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000003125843 471433377 /nfs/dbraw/zinc/43/33/77/471433377.db2.gz HPTPZFFHSTWHGV-UHFFFAOYSA-N 0 0 333.330 2.508 50 0 EFAARN Cc1ccccc1NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl ZINC000003137411 471433465 /nfs/dbraw/zinc/43/34/65/471433465.db2.gz RQMSZGNXTUVXAJ-VIFPVBQESA-N 0 0 340.663 2.724 50 0 EFAARN CNC(=O)c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003133835 471433628 /nfs/dbraw/zinc/43/36/28/471433628.db2.gz QDUDYFAQVGSEEG-UHFFFAOYSA-N 0 0 344.720 2.928 50 0 EFAARN COCCCn1c(C)c(C(C)=O)cc(NC(=O)c2ccccc2)c1=O ZINC000003128563 471433762 /nfs/dbraw/zinc/43/37/62/471433762.db2.gz ATPBVBYYZUJUGO-UHFFFAOYSA-N 0 0 342.395 2.648 50 0 EFAARN Cc1cc(N)n(-c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000003295376 471442076 /nfs/dbraw/zinc/44/20/76/471442076.db2.gz JCQAYZADEKMLSP-UHFFFAOYSA-N 0 0 327.409 2.904 50 0 EFAARN Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000003485827 471447810 /nfs/dbraw/zinc/44/78/10/471447810.db2.gz SKWQSHURUQONAG-UHFFFAOYSA-N 0 0 336.848 2.850 50 0 EFAARN Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1COc2ccccc2O1 ZINC000003497718 471447960 /nfs/dbraw/zinc/44/79/60/471447960.db2.gz ODGZAURXBHYZBH-INIZCTEOSA-N 0 0 341.363 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/nfs/dbraw/zinc/99/20/98/471992098.db2.gz TYSKKCPATHSIQF-CLAHSXSESA-N 0 0 342.424 2.633 50 0 biogenic EFAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc2cc(C)ccc2n1 ZINC000020607779 471992705 /nfs/dbraw/zinc/99/27/05/471992705.db2.gz VDSDONLPKIWRMX-INIZCTEOSA-N 0 0 335.367 2.597 50 0 EFAARN Brc1ccc2nc(I)ncc2c1 ZINC000035049796 471993840 /nfs/dbraw/zinc/99/38/40/471993840.db2.gz LCJJMJFHBCJRDO-UHFFFAOYSA-N 0 0 334.942 2.997 50 0 EFAARN Cc1ccc([C@H]2C(C(=O)OC(C)(C)C)C(C)=Nc3nnnn32)cc1 ZINC000035148019 471994367 /nfs/dbraw/zinc/99/43/67/471994367.db2.gz VHADUZHQZCHHFX-AWEZNQCLSA-N 0 0 327.388 2.612 50 0 EFAARN CSc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C[C@](C)(O)[C@H]2C(C)=O)cc1 ZINC000035357985 471996458 /nfs/dbraw/zinc/99/64/58/471996458.db2.gz JVLMCWYSBJVUFE-BDXSIMOUSA-N 0 0 334.437 2.626 50 0 EFAARN Cc1nc2c3c4c(sc3nc(N3CCOCC3)n2n1)CC[C@@H](C)C4 ZINC000035325013 471996862 /nfs/dbraw/zinc/99/68/62/471996862.db2.gz ALRGLMABHYPFPE-SNVBAGLBSA-N 0 0 343.456 2.609 50 0 EFAARN O=C(COc1ccccc1)NCc1nc(-c2ccc(F)cc2)no1 ZINC000036133592 471999177 /nfs/dbraw/zinc/99/91/77/471999177.db2.gz RBSVKLLJOQCHRK-UHFFFAOYSA-N 0 0 327.315 2.571 50 0 EFAARN O=C(c1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCCCC1 ZINC000022310848 472012855 /nfs/dbraw/zinc/01/28/55/472012855.db2.gz UYRBVFRHEFSEDB-UHFFFAOYSA-N 0 0 343.408 2.576 50 0 EFAARN O=C(NCc1cccnc1)c1[nH]nnc1Nc1cccc(Cl)c1 ZINC000067284123 472015558 /nfs/dbraw/zinc/01/55/58/472015558.db2.gz MPQZTSUQOMZWLL-UHFFFAOYSA-N 0 0 328.763 2.527 50 0 EFAARN Cc1ccccc1CNC(=O)c1[nH]nnc1Nc1ccccc1F ZINC000067283827 472015716 /nfs/dbraw/zinc/01/57/16/472015716.db2.gz GGGQWXOOXQBHQS-UHFFFAOYSA-N 0 0 325.347 2.926 50 0 EFAARN COc1cccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CCCC4)c1 ZINC000067334627 472020070 /nfs/dbraw/zinc/02/00/70/472020070.db2.gz ASINQNRJCADPIB-UHFFFAOYSA-N 0 0 328.393 2.628 50 0 EFAARN O=C(CN1CCCC1=O)NCc1cccc(OCc2ccccc2)c1 ZINC000053573588 472020520 /nfs/dbraw/zinc/02/05/20/472020520.db2.gz CGSVHUAEACRHHQ-UHFFFAOYSA-N 0 0 338.407 2.504 50 0 EFAARN Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1CC(C)C)CC(C)(C)CC2=O ZINC000039430185 472024049 /nfs/dbraw/zinc/02/40/49/472024049.db2.gz JHQXFWIZUUPCJI-ZDUSSCGKSA-N 0 0 348.487 2.647 50 0 EFAARN COc1cc(CN2CCN(c3ccccc3F)CC2)cc2c1OCO2 ZINC000023115130 472026158 /nfs/dbraw/zinc/02/61/58/472026158.db2.gz HWUXCOBBULWXKB-UHFFFAOYSA-N 0 0 344.386 2.885 50 0 EFAARN COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1O ZINC000023114910 472026323 /nfs/dbraw/zinc/02/63/23/472026323.db2.gz FJHGLZCTEJNHPV-AOOOYVTPSA-N 0 0 330.222 2.773 50 0 EFAARN C[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000041127346 472045963 /nfs/dbraw/zinc/04/59/63/472045963.db2.gz RURDEMTZMJLJIE-LBPRGKRZSA-N 0 0 348.424 2.609 50 0 EFAARN CCN(CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000041247081 472051169 /nfs/dbraw/zinc/05/11/69/472051169.db2.gz AVDUVLWDZJBEOB-KRWDZBQOSA-N 0 0 331.460 2.662 50 0 EFAARN Cc1ccc(-c2n[nH]cc2CN2CCN(c3ncccn3)CC2)cc1C ZINC000067603624 472058018 /nfs/dbraw/zinc/05/80/18/472058018.db2.gz WCMALPDIXDQUFE-UHFFFAOYSA-N 0 0 348.454 2.806 50 0 EFAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000067630420 472062469 /nfs/dbraw/zinc/06/24/69/472062469.db2.gz KFKVDACLFMYYBF-FZMZJTMJSA-N 0 0 330.428 2.839 50 0 EFAARN Cc1ccc2nc(C)cc(C(=O)N3CCC(c4nncn4C)CC3)c2c1 ZINC000024693761 472064217 /nfs/dbraw/zinc/06/42/17/472064217.db2.gz ORUDYIWQBLHUTF-UHFFFAOYSA-N 0 0 349.438 3.000 50 0 EFAARN Cc1cnc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1 ZINC000067642121 472064229 /nfs/dbraw/zinc/06/42/29/472064229.db2.gz ZZMHXDZGVCKLAY-UHFFFAOYSA-N 0 0 347.422 2.746 50 0 EFAARN COCc1ccc(C(=O)N2CCN(c3ncccc3C)CC2)s1 ZINC000067674735 472069855 /nfs/dbraw/zinc/06/98/55/472069855.db2.gz ZICTZMFOQVJSBW-UHFFFAOYSA-N 0 0 331.441 2.560 50 0 EFAARN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1cccnc1Cl)C2 ZINC000067724389 472079318 /nfs/dbraw/zinc/07/93/18/472079318.db2.gz ZBQRIKJTONZQLU-GFCCVEGCSA-N 0 0 348.834 2.639 50 0 EFAARN COc1ccccc1C(=O)N1CCN(c2ncnc3ccccc32)CC1 ZINC000025573930 472102812 /nfs/dbraw/zinc/10/28/12/472102812.db2.gz LDVWUVFXVXCWQU-UHFFFAOYSA-N 0 0 348.406 2.601 50 0 EFAARN O=C(NCc1nc2ccccc2[nH]1)C1(c2ccccc2)CCOCC1 ZINC000042018547 472105311 /nfs/dbraw/zinc/10/53/11/472105311.db2.gz KRDFKRLKRDICGJ-UHFFFAOYSA-N 0 0 335.407 2.928 50 0 EFAARN O=C1NC[C@H](c2ccccc2)Cc2nc(-c3cn4ccccc4n3)[nH]c21 ZINC000067894188 472107015 /nfs/dbraw/zinc/10/70/15/472107015.db2.gz IUIKCGOJQYZOQH-CQSZACIVSA-N 0 0 343.390 2.794 50 0 EFAARN Cc1noc(C)c1CN1CCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000042115561 472114506 /nfs/dbraw/zinc/11/45/06/472114506.db2.gz PFPJPVXFEUZVGD-UHFFFAOYSA-N 0 0 342.443 2.627 50 0 EFAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1Cl ZINC000042157510 472119740 /nfs/dbraw/zinc/11/97/40/472119740.db2.gz IQWYQJGQGRRMFT-UHFFFAOYSA-N 0 0 340.832 2.607 50 0 EFAARN CC(=O)Nc1ccc(C)cc1NC(=O)CCc1c(C)nn(C)c1C ZINC000068026088 472124523 /nfs/dbraw/zinc/12/45/23/472124523.db2.gz IBUAIRWZEVTBCC-UHFFFAOYSA-N 0 0 328.416 2.875 50 0 EFAARN Cc1cc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)c(C)o1 ZINC000042379660 472134515 /nfs/dbraw/zinc/13/45/15/472134515.db2.gz ULZHRCWDLMBAIE-UHFFFAOYSA-N 0 0 343.408 2.612 50 0 EFAARN COc1ccc(Cl)c2sc(NCCN3CCOCC3)nc21 ZINC000026424134 472135534 /nfs/dbraw/zinc/13/55/34/472135534.db2.gz QUBJEKOZRWDPEJ-UHFFFAOYSA-N 0 0 327.837 2.702 50 0 EFAARN COc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 ZINC000026779417 472148019 /nfs/dbraw/zinc/14/80/19/472148019.db2.gz HPOBZNAYQDOAOE-LFIBNONCSA-N 0 0 349.415 2.683 50 0 EFAARN C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccccc1Br ZINC000026881643 472154024 /nfs/dbraw/zinc/15/40/24/472154024.db2.gz DDUSDGBXYFBSKL-JTQLQIEISA-N 0 0 344.230 2.952 50 0 EFAARN CC(C)c1nc([C@H]2CCCN2CC(=O)Nc2ccnn2C(C)C)no1 ZINC000075581687 472162374 /nfs/dbraw/zinc/16/23/74/472162374.db2.gz SINNPKPGSQLIED-CYBMUJFWSA-N 0 0 346.435 2.746 50 0 EFAARN O=C(COC(=O)c1ccnc(Cl)c1)NCc1ccccc1Cl ZINC000027442589 472176767 /nfs/dbraw/zinc/17/67/67/472176767.db2.gz ANAFLNKEHRUDFI-UHFFFAOYSA-N 0 0 339.178 2.862 50 0 EFAARN C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000027580926 472185205 /nfs/dbraw/zinc/18/52/05/472185205.db2.gz QTASVXLHLNSUHD-JTQLQIEISA-N 0 0 330.315 2.563 50 0 EFAARN CC(C)COC[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccco1 ZINC000084544440 472191512 /nfs/dbraw/zinc/19/15/12/472191512.db2.gz JZZIDONNDICSCF-HNNXBMFYSA-N 0 0 328.372 2.695 50 0 EFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(O)c1 ZINC000084544155 472191747 /nfs/dbraw/zinc/19/17/47/472191747.db2.gz YSZFCIOQLMLJEH-UHFFFAOYSA-N 0 0 345.395 2.753 50 0 EFAARN CC(C)(C)OC(=O)[C@@H]1OC2(CCCC2)O[C@@H]1C(=O)OC(C)(C)C ZINC000043199042 472210225 /nfs/dbraw/zinc/21/02/25/472210225.db2.gz UDXZSVTXFJBQFH-TXEJJXNPSA-N 0 0 328.405 2.724 50 0 EFAARN CCOC(=O)CCCCC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000043210877 472210898 /nfs/dbraw/zinc/21/08/98/472210898.db2.gz BKOSUBQDWYUBAF-UHFFFAOYSA-N 0 0 333.428 2.825 50 0 EFAARN O=C(C=Cc1ccccc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000028284082 472221275 /nfs/dbraw/zinc/22/12/75/472221275.db2.gz LCMPPCNYBOPJLU-UNNWNWIUSA-N 0 0 344.436 2.823 50 0 EFAARN O=C(C=Cc1ccccc1)N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000028284088 472221980 /nfs/dbraw/zinc/22/19/80/472221980.db2.gz LCMPPCNYBOPJLU-KZGTWKPJSA-N 0 0 344.436 2.823 50 0 EFAARN CCCCNS(=O)(=O)c1cc(Br)ccc1OCC ZINC000028497990 472227852 /nfs/dbraw/zinc/22/78/52/472227852.db2.gz KQQRTPWCNGTHMS-UHFFFAOYSA-N 0 0 336.251 2.926 50 0 EFAARN O=C(NCC[C@@H](O)c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000085436518 472247439 /nfs/dbraw/zinc/24/74/39/472247439.db2.gz JYUKMRZFUHMYFD-OAHLLOKOSA-N 0 0 332.787 2.518 50 0 EFAARN O=S(=O)(NCC[C@H](O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000085436485 472248220 /nfs/dbraw/zinc/24/82/20/472248220.db2.gz ZJOUMNBJGSYCPO-HNNXBMFYSA-N 0 0 343.807 2.881 50 0 EFAARN COCCn1nc(CNC(=O)Cc2cccs2)cc1-c1ccco1 ZINC000085471395 472251549 /nfs/dbraw/zinc/25/15/49/472251549.db2.gz GMCWBTQFSBTJDJ-UHFFFAOYSA-N 0 0 345.424 2.710 50 0 EFAARN O=C(NCCNc1cc(Nc2ccccn2)ncn1)c1cccs1 ZINC000085472228 472251675 /nfs/dbraw/zinc/25/16/75/472251675.db2.gz UEDTUBDMRXBYFH-UHFFFAOYSA-N 0 0 340.412 2.519 50 0 EFAARN Cn1cc(-c2cccs2)nc1CCNC(=O)COc1ccccc1 ZINC000085471198 472251977 /nfs/dbraw/zinc/25/19/77/472251977.db2.gz VYAYYBURICKKML-UHFFFAOYSA-N 0 0 341.436 2.886 50 0 EFAARN Cn1cc(-c2cccs2)nc1CCNC(=O)c1cc(C2CC2)on1 ZINC000085471218 472251987 /nfs/dbraw/zinc/25/19/87/472251987.db2.gz OTXKPQARSUWGGN-UHFFFAOYSA-N 0 0 342.424 2.987 50 0 EFAARN O=C(NCCCc1ccccc1)N1CCC(Oc2cnccn2)CC1 ZINC000085471889 472252178 /nfs/dbraw/zinc/25/21/78/472252178.db2.gz MUVAHCHFNMNMFY-UHFFFAOYSA-N 0 0 340.427 2.662 50 0 EFAARN Cc1nccn1-c1ncc(NC(=O)Cc2c[nH]c3ccccc23)cn1 ZINC000085470436 472252226 /nfs/dbraw/zinc/25/22/26/472252226.db2.gz UMHNKYIRBPKHHE-UHFFFAOYSA-N 0 0 332.367 2.633 50 0 EFAARN COCCN(Cc1ccoc1)S(=O)(=O)c1ccccc1Cl ZINC000085474411 472253139 /nfs/dbraw/zinc/25/31/39/472253139.db2.gz WJURUCXYMNZUTH-UHFFFAOYSA-N 0 0 329.805 2.770 50 0 EFAARN Cc1cccc(=O)n1CCC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000085479193 472254083 /nfs/dbraw/zinc/25/40/83/472254083.db2.gz DVKVZAQUWPBICF-OAHLLOKOSA-N 0 0 328.387 2.702 50 0 EFAARN COc1cccc(NC(=O)N2CCC(Cn3cccn3)CC2)c1OC ZINC000085554888 472256240 /nfs/dbraw/zinc/25/62/40/472256240.db2.gz CEHBHTCUGXDYEU-UHFFFAOYSA-N 0 0 344.415 2.844 50 0 EFAARN COc1cccc(OC2CN(C(=O)c3ccccc3N(C)C)C2)c1 ZINC000085533999 472256529 /nfs/dbraw/zinc/25/65/29/472256529.db2.gz DOIIMEVSYBFGQX-UHFFFAOYSA-N 0 0 326.396 2.665 50 0 EFAARN COc1ccccc1NC(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 ZINC000085561144 472257332 /nfs/dbraw/zinc/25/73/32/472257332.db2.gz QPJBGDSQFXGQEJ-AWEZNQCLSA-N 0 0 344.367 2.669 50 0 EFAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc(F)cc1F ZINC000085560736 472257364 /nfs/dbraw/zinc/25/73/64/472257364.db2.gz VQNBCEOQGJHPLF-AWEZNQCLSA-N 0 0 335.306 2.547 50 0 EFAARN CCOc1ccccc1C(=O)NCC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000085560813 472257474 /nfs/dbraw/zinc/25/74/74/472257474.db2.gz BNQHMMUKJHXMNM-OAHLLOKOSA-N 0 0 343.379 2.668 50 0 EFAARN O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000085560740 472257629 /nfs/dbraw/zinc/25/76/29/472257629.db2.gz HVGQXJHMTHONAO-CQSZACIVSA-N 0 0 335.306 2.547 50 0 EFAARN Cc1cc([C@@H](O)CCNC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)o1 ZINC000085561646 472258339 /nfs/dbraw/zinc/25/83/39/472258339.db2.gz LEMKMCOKHZWFKK-NBUZRDOWSA-N 0 0 343.379 2.878 50 0 EFAARN COCCn1ccc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)ccc21 ZINC000085877398 472269387 /nfs/dbraw/zinc/26/93/87/472269387.db2.gz PLZGOXMAGSTXMS-INIZCTEOSA-N 0 0 330.428 2.975 50 0 biogenic EFAARN COC(=O)c1ccc(NC(=O)C[C@H]2CC(=O)Oc3ccccc32)cc1 ZINC000085874729 472269482 /nfs/dbraw/zinc/26/94/82/472269482.db2.gz ISZOGDRNSRZBKI-ZDUSSCGKSA-N 0 0 339.347 2.895 50 0 biogenic EFAARN O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nc(-c3ccccc3)no2)C1 ZINC000085879584 472270363 /nfs/dbraw/zinc/27/03/63/472270363.db2.gz UYLSVAPXNPDVOB-ZBFHGGJFSA-N 0 0 348.406 2.518 50 0 biogenic EFAARN O=S(=O)(/C=C/c1ccccc1)N1CCC(Cn2cccn2)CC1 ZINC000086070992 472272139 /nfs/dbraw/zinc/27/21/39/472272139.db2.gz SAORSLDLWVQBAE-NTEUORMPSA-N 0 0 331.441 2.596 50 0 EFAARN COC(=O)N1CCC(C[C@H]2Cc3cc(OC)c(OC)cc3C2=O)CC1 ZINC000044123908 472286045 /nfs/dbraw/zinc/28/60/45/472286045.db2.gz WRZOOPVTTSTZQW-AWEZNQCLSA-N 0 0 347.411 2.927 50 0 EFAARN O=C(Nc1cccc2nsnc21)c1csc(-c2cnccn2)n1 ZINC000044123724 472286117 /nfs/dbraw/zinc/28/61/17/472286117.db2.gz MOPKNLSNRYJVDZ-UHFFFAOYSA-N 0 0 340.393 2.857 50 0 EFAARN O=C(NCc1ccc(F)cc1)c1cn(-c2ccccc2Cl)nn1 ZINC000044167778 472287809 /nfs/dbraw/zinc/28/78/09/472287809.db2.gz RSEAMJYEPNDMFM-UHFFFAOYSA-N 0 0 330.750 2.990 50 0 EFAARN O=C(c1cnn2cccnc12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000044218821 472290064 /nfs/dbraw/zinc/29/00/64/472290064.db2.gz BXWBAPBBZXPXLK-ZDUSSCGKSA-N 0 0 346.394 2.625 50 0 EFAARN O=C(NCc1ccco1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000044443507 472307954 /nfs/dbraw/zinc/30/79/54/472307954.db2.gz BFSXSNQZWBPVRG-UHFFFAOYSA-N 0 0 338.411 2.684 50 0 EFAARN O=S(=O)(c1cccnc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447646 472308001 /nfs/dbraw/zinc/30/80/01/472308001.db2.gz UJPKCZXZHDKLOI-UHFFFAOYSA-N 0 0 336.360 2.896 50 0 EFAARN O=C([O-])CC[N@@H+]1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044676320 472330419 /nfs/dbraw/zinc/33/04/19/472330419.db2.gz UPDPPDHYAHSTEN-UHFFFAOYSA-N 0 0 331.243 2.976 50 0 EFAARN COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3F)CC2=O)cc1 ZINC000030553472 472339752 /nfs/dbraw/zinc/33/97/52/472339752.db2.gz MSJODINXBHVCDP-AWEZNQCLSA-N 0 0 342.370 2.504 50 0 EFAARN COc1ccc(-c2noc(COC(=O)/C=C/c3cccnc3)n2)cc1 ZINC000044837002 472341963 /nfs/dbraw/zinc/34/19/63/472341963.db2.gz FEZCLUVNNCRUEC-RUDMXATFSA-N 0 0 337.335 2.897 50 0 EFAARN O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(F)cc1 ZINC000044836816 472342346 /nfs/dbraw/zinc/34/23/46/472342346.db2.gz ZVAHJSDNEDHXJG-UHFFFAOYSA-N 0 0 342.282 2.961 50 0 EFAARN O=C(NC[C@@H]1COCCO1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000056650739 472342629 /nfs/dbraw/zinc/34/26/29/472342629.db2.gz WSYXCILQRBLGIS-SECBINFHSA-N 0 0 338.713 2.896 50 0 EFAARN CCOc1cccc(CNC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000030756495 472348414 /nfs/dbraw/zinc/34/84/14/472348414.db2.gz QCKRNNSFWKRGGZ-UHFFFAOYSA-N 0 0 340.423 2.852 50 0 EFAARN COc1cccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)c1 ZINC000044900791 472351010 /nfs/dbraw/zinc/35/10/10/472351010.db2.gz BONBQJGNFQUCHA-UHFFFAOYSA-N 0 0 329.404 2.661 50 0 EFAARN CCc1ccc(-n2ccc3c(cnc4nc(SC)nn43)c2=O)cc1 ZINC000030875164 472352260 /nfs/dbraw/zinc/35/22/60/472352260.db2.gz YRJMHHKJKFHKRB-UHFFFAOYSA-N 0 0 337.408 2.713 50 0 EFAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccccn1 ZINC000044916616 472352841 /nfs/dbraw/zinc/35/28/41/472352841.db2.gz CSJSKEDXXRIFEL-UHFFFAOYSA-N 0 0 340.770 2.597 50 0 EFAARN CC(C)c1nnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 ZINC000044922127 472353783 /nfs/dbraw/zinc/35/37/83/472353783.db2.gz HGPFKEOFFKUYDP-UHFFFAOYSA-N 0 0 349.464 2.627 50 0 EFAARN Cc1nc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1 ZINC000044924158 472353978 /nfs/dbraw/zinc/35/39/78/472353978.db2.gz AVDWLKUCVZKGDP-UHFFFAOYSA-N 0 0 347.407 2.921 50 0 EFAARN Cc1cc2c(nc(CSCC(=O)NCCC(C)C)[nH]c2=O)s1 ZINC000044921872 472354061 /nfs/dbraw/zinc/35/40/61/472354061.db2.gz DXIWAFUHEVFPOX-UHFFFAOYSA-N 0 0 339.486 2.689 50 0 EFAARN CC(C)(C)NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955077 472355245 /nfs/dbraw/zinc/35/52/45/472355245.db2.gz NXUQZWRGWVLCQP-UHFFFAOYSA-N 0 0 342.443 2.863 50 0 EFAARN Cn1c2ccc(CNC(=O)c3cc4ccccc4o3)cc2n(C)c1=O ZINC000030952715 472355273 /nfs/dbraw/zinc/35/52/73/472355273.db2.gz KQMWTEVUVJIXQJ-UHFFFAOYSA-N 0 0 335.363 2.553 50 0 EFAARN COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)noc1C)CC2 ZINC000031035431 472359031 /nfs/dbraw/zinc/35/90/31/472359031.db2.gz JVZRZPOKEUICFI-UHFFFAOYSA-N 0 0 344.411 2.826 50 0 biogenic EFAARN CN(C)c1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1 ZINC000031050948 472360959 /nfs/dbraw/zinc/36/09/59/472360959.db2.gz MOQBHKWSQROSLF-UHFFFAOYSA-N 0 0 333.775 2.597 50 0 EFAARN C[C@@]12CC=CC[C@@H]1N2S(=O)(=O)c1ccc(Br)cc1 ZINC000045069972 472369430 /nfs/dbraw/zinc/36/94/30/472369430.db2.gz PKCQYNKMTQUWBW-IKCIUXDWSA-N 0 0 328.231 2.931 50 0 EFAARN Cc1c(C(=O)CN2CCC3(CC2)OCCO3)c2ccccc2n1C ZINC000057050698 472378405 /nfs/dbraw/zinc/37/84/05/472378405.db2.gz KAPKZMRWULJYMZ-UHFFFAOYSA-N 0 0 328.412 2.508 50 0 EFAARN CCOC(=O)C1CCN(CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000057050728 472378947 /nfs/dbraw/zinc/37/89/47/472378947.db2.gz STJYTQOBZOZDMJ-UHFFFAOYSA-N 0 0 328.412 2.934 50 0 EFAARN COCCCN1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000057128632 472384462 /nfs/dbraw/zinc/38/44/62/472384462.db2.gz ZSHDFKQQXSQJNT-UHFFFAOYSA-N 0 0 329.396 2.860 50 0 EFAARN COCCNC(=O)Cc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000031731563 472391126 /nfs/dbraw/zinc/39/11/26/472391126.db2.gz MSRRKSNVXHRHHT-UHFFFAOYSA-N 0 0 345.374 2.775 50 0 EFAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000057279936 472408940 /nfs/dbraw/zinc/40/89/40/472408940.db2.gz CJHQTGKWRACOLD-RYUDHWBXSA-N 0 0 336.457 2.583 50 0 EFAARN Cc1cc2c(s1)n(CC(=O)c1ccc(Cl)cc1)c(=O)n(C)c2=O ZINC000032074915 472411760 /nfs/dbraw/zinc/41/17/60/472411760.db2.gz HBXQEQHPAGWRDC-UHFFFAOYSA-N 0 0 348.811 2.606 50 0 EFAARN COc1ccc(-n2cnc3cc(C(=O)N4CCCC4)ccc3c2=O)cc1 ZINC000032072682 472412658 /nfs/dbraw/zinc/41/26/58/472412658.db2.gz HZERDHMEWUZGIM-UHFFFAOYSA-N 0 0 349.390 2.630 50 0 EFAARN O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1 ZINC000032091486 472414301 /nfs/dbraw/zinc/41/43/01/472414301.db2.gz IQYXYIMNWWIFES-UHFFFAOYSA-N 0 0 347.378 2.692 50 0 EFAARN CCCn1nc(C)cc1-c1nn2c(nnc2-c2cccnc2)s1 ZINC000032095629 472414676 /nfs/dbraw/zinc/41/46/76/472414676.db2.gz LYFIJCYEWOXVIA-UHFFFAOYSA-N 0 0 325.401 2.830 50 0 EFAARN COc1ccc(-c2nnc3sc(-c4c(C)nn(C)c4C)nn32)cc1 ZINC000032104232 472415713 /nfs/dbraw/zinc/41/57/13/472415713.db2.gz ILKRWAIAFOUAIO-UHFFFAOYSA-N 0 0 340.412 2.879 50 0 EFAARN COc1c2c(c(NC(=O)c3ccccc3)c3c1CN(C)CC3)OCO2 ZINC000032124045 472416312 /nfs/dbraw/zinc/41/63/12/472416312.db2.gz NKKIAJKOQULBEJ-UHFFFAOYSA-N 0 0 340.379 2.664 50 0 biogenic EFAARN Cc1ccc(N2Cc3nc(=O)n(Cc4ccccc4F)n3C2=O)cc1 ZINC000032103482 472416645 /nfs/dbraw/zinc/41/66/45/472416645.db2.gz ZUQVFMHOLFDXAF-UHFFFAOYSA-N 0 0 338.342 2.529 50 0 EFAARN CCCC(=O)NCC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000069776030 472428635 /nfs/dbraw/zinc/42/86/35/472428635.db2.gz LWKDYTRCQDAMIL-DGCLKSJQSA-N 0 0 328.334 2.594 50 0 EFAARN CCCNC(=O)N1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000097076752 472431441 /nfs/dbraw/zinc/43/14/41/472431441.db2.gz OWGLVYXIOXMSCT-MRXNPFEDSA-N 0 0 329.444 2.587 50 0 EFAARN Cc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000032444002 472436755 /nfs/dbraw/zinc/43/67/55/472436755.db2.gz MLDQXMMMJCUQEX-UHFFFAOYSA-N 0 0 344.436 2.600 50 0 EFAARN Fc1cccc(-n2cc(CN3CCO[C@@H](c4cccnc4)C3)cn2)c1 ZINC000097088117 472442450 /nfs/dbraw/zinc/44/24/50/472442450.db2.gz ORPVEBDRTBQTOT-LJQANCHMSA-N 0 0 338.386 2.980 50 0 EFAARN CCOC(=O)CN1C(=O)CS[C@@H]1c1ccc(Br)cc1 ZINC000032594600 472445018 /nfs/dbraw/zinc/44/50/18/472445018.db2.gz NZKFTOUYWJMVLQ-CYBMUJFWSA-N 0 0 344.230 2.586 50 0 EFAARN CC[C@@H](C)NC(=O)Cn1c(=O)cc(C)nc1Nc1ccc(F)c(C)c1 ZINC000057507614 472446711 /nfs/dbraw/zinc/44/67/11/472446711.db2.gz RJRVZKUFTGNYPN-GFCCVEGCSA-N 0 0 346.406 2.658 50 0 EFAARN Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)[nH]c(=O)c2[nH]1 ZINC000057520842 472447151 /nfs/dbraw/zinc/44/71/51/472447151.db2.gz PAVLWZQDVKDBOD-UHFFFAOYSA-N 0 0 346.456 2.658 50 0 EFAARN Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccs2)cc1C ZINC000077115354 472455159 /nfs/dbraw/zinc/45/51/59/472455159.db2.gz ILPZBBAOYPMQND-AWEZNQCLSA-N 0 0 332.425 2.543 50 0 EFAARN CCCCSc1ncc(CN2CCC(c3nnc[nH]3)CC2)cn1 ZINC000097117608 472457312 /nfs/dbraw/zinc/45/73/12/472457312.db2.gz BEDLSIMYJIKZPY-UHFFFAOYSA-N 0 0 332.477 2.867 50 0 EFAARN Cc1noc(C)c1[C@H]1CCCN1Cc1cnc(N2CCOCC2)s1 ZINC000097172864 472471643 /nfs/dbraw/zinc/47/16/43/472471643.db2.gz GDUGGKTXGCABFW-OAHLLOKOSA-N 0 0 348.472 2.922 50 0 EFAARN CCNC(=O)c1cc(NC(=O)NCCSCC)ccc1Cl ZINC000097173061 472472624 /nfs/dbraw/zinc/47/26/24/472472624.db2.gz MXAZJIFKSDPZCC-UHFFFAOYSA-N 0 0 329.853 2.964 50 0 EFAARN Cc1nnc2n1C[C@H](NC(=O)CCc1ccc(-c3ccccc3)[nH]1)CC2 ZINC000097198021 472473294 /nfs/dbraw/zinc/47/32/94/472473294.db2.gz VFURFMLMNTZKHP-QGZVFWFLSA-N 0 0 349.438 2.645 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1csc(-c3ccco3)n1)C2 ZINC000097198289 472473490 /nfs/dbraw/zinc/47/34/90/472473490.db2.gz WIIPIRIRTJKTOI-NSHDSACASA-N 0 0 328.397 2.653 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)CCOc1ccc(C)c(C)c1)C2 ZINC000097198296 472475008 /nfs/dbraw/zinc/47/50/08/472475008.db2.gz UDDCEBOMTGPFEV-INIZCTEOSA-N 0 0 327.428 2.708 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)C1(c3ccc(F)cc3)CCC1)C2 ZINC000097199233 472475024 /nfs/dbraw/zinc/47/50/24/472475024.db2.gz KSPYZYMUPDTHKK-INIZCTEOSA-N 0 0 327.403 2.884 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(C3CC3)n(C(C)(C)C)n1)C2 ZINC000097199092 472475450 /nfs/dbraw/zinc/47/54/50/472475450.db2.gz LVCXXCVQCTYFJW-CQSZACIVSA-N 0 0 341.459 2.765 50 0 EFAARN CCc1nnc2n1C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)CC2 ZINC000097199063 472475646 /nfs/dbraw/zinc/47/56/46/472475646.db2.gz BIZLPEILTGXKRV-WOPDTQHZSA-N 0 0 344.381 2.640 50 0 EFAARN c1csc([C@H]2CN(Cc3ccn(-c4ccccc4)n3)CCO2)n1 ZINC000097200101 472478594 /nfs/dbraw/zinc/47/85/94/472478594.db2.gz DLROIEBZJWKOHK-MRXNPFEDSA-N 0 0 326.425 2.902 50 0 EFAARN Cc1ccc(-c2nc(Cn3ccccc3=O)n(-c3cccc(C)n3)n2)o1 ZINC000097213319 472480630 /nfs/dbraw/zinc/48/06/30/472480630.db2.gz IMKWKJKHBZLTKT-UHFFFAOYSA-N 0 0 347.378 2.749 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCN(C3CCSCC3)CC2)s1 ZINC000097217585 472482933 /nfs/dbraw/zinc/48/29/33/472482933.db2.gz RIKQJBZVGNLMBP-UHFFFAOYSA-N 0 0 339.530 2.667 50 0 EFAARN Cc1nnc(CCC(=O)N2CCC[C@H](COc3ccc(C)cc3)C2)[nH]1 ZINC000077287985 472493994 /nfs/dbraw/zinc/49/39/94/472493994.db2.gz LPQAJJMJAZLXOA-INIZCTEOSA-N 0 0 342.443 2.672 50 0 EFAARN COc1cc(C(=O)N2CCN(c3ccc(C)cc3)C[C@H]2C)ccn1 ZINC000077287202 472494588 /nfs/dbraw/zinc/49/45/88/472494588.db2.gz DISYWYYUGOUFEL-OAHLLOKOSA-N 0 0 325.412 2.750 50 0 EFAARN CC[C@@H](C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000033088956 472496096 /nfs/dbraw/zinc/49/60/96/472496096.db2.gz JTVLEAJZBAVYCL-SECBINFHSA-N 0 0 349.228 2.848 50 0 EFAARN CCc1nc2c(ncnc2N2CCN(Cc3cccc(F)c3)CC2)o1 ZINC000077301816 472496522 /nfs/dbraw/zinc/49/65/22/472496522.db2.gz WVTLCTNRIIRQRF-UHFFFAOYSA-N 0 0 341.390 2.642 50 0 EFAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3ncc4c(n3)CCC4)cc2)n1 ZINC000077299763 472497109 /nfs/dbraw/zinc/49/71/09/472497109.db2.gz KUSCHKKYTPCABT-UHFFFAOYSA-N 0 0 347.422 2.698 50 0 EFAARN Cc1nnsc1C(=O)N1CCC[C@H](COc2cccc(F)c2)C1 ZINC000077299083 472497238 /nfs/dbraw/zinc/49/72/38/472497238.db2.gz KJQCRRUFYZCPDN-LBPRGKRZSA-N 0 0 335.404 2.917 50 0 EFAARN CNc1nc(C(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)cs1 ZINC000077303753 472497455 /nfs/dbraw/zinc/49/74/55/472497455.db2.gz JUARYEAYPQHGNI-NSHDSACASA-N 0 0 347.440 2.832 50 0 EFAARN O=C(Cc1ccsc1)N1CCN(CCOc2ccccc2)CC1 ZINC000077299699 472497600 /nfs/dbraw/zinc/49/76/00/472497600.db2.gz HEBWDYNYECLXPK-UHFFFAOYSA-N 0 0 330.453 2.514 50 0 EFAARN COc1ccc(CNC(=O)Cc2cn3ccsc3n2)c(F)c1F ZINC000097546504 472499876 /nfs/dbraw/zinc/49/98/76/472499876.db2.gz LQINUZYWXCZRDN-UHFFFAOYSA-N 0 0 337.351 2.542 50 0 EFAARN O=C(NCCNc1nccc(-c2cccnc2)n1)c1ccc(F)cc1 ZINC000097529004 472500214 /nfs/dbraw/zinc/50/02/14/472500214.db2.gz YHFZBDSWSFATCE-UHFFFAOYSA-N 0 0 337.358 2.520 50 0 EFAARN COc1cccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)c1 ZINC000070655738 472501233 /nfs/dbraw/zinc/50/12/33/472501233.db2.gz JOTRKLNRXWTMHW-UHFFFAOYSA-N 0 0 346.333 2.684 50 0 EFAARN CC(C)N1C[C@]2(CCCN(Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000077319106 472501521 /nfs/dbraw/zinc/50/15/21/472501521.db2.gz HMOBYFSIGQMHLI-GOSISDBHSA-N 0 0 332.448 2.560 50 0 EFAARN CC(C)[C@@H](C(=O)N[C@H]1CCOC(C)(C)C1)N1Cc2ccccc2C1=O ZINC000070666562 472501783 /nfs/dbraw/zinc/50/17/83/472501783.db2.gz OFEQZLLPFATPLS-RDJZCZTQSA-N 0 0 344.455 2.741 50 0 biogenic EFAARN Cc1ncnc(N2CCN(Cc3nc4ccccc4nc3C)CC2)c1C ZINC000097619090 472502635 /nfs/dbraw/zinc/50/26/35/472502635.db2.gz BEPWFMXXXCRHRV-UHFFFAOYSA-N 0 0 348.454 2.667 50 0 EFAARN COc1ccc(OC)c([C@H]2CCN(c3ncnc4c3CCC4)C2)c1 ZINC000077322359 472503368 /nfs/dbraw/zinc/50/33/68/472503368.db2.gz KUYXRHVPPCOCCH-ZDUSSCGKSA-N 0 0 325.412 2.976 50 0 EFAARN Cc1cc(C)c2nc(C)cc(C(=O)NCCSc3c[nH]nn3)c2c1 ZINC000077322726 472503528 /nfs/dbraw/zinc/50/35/28/472503528.db2.gz YUDWFUCFYXJPRW-UHFFFAOYSA-N 0 0 341.440 2.800 50 0 EFAARN Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c2cc(Cl)ccc2n1 ZINC000097635029 472503562 /nfs/dbraw/zinc/50/35/62/472503562.db2.gz CWDSALNMBUCBQC-MRXNPFEDSA-N 0 0 345.830 2.793 50 0 EFAARN Cc1ccc(OC[C@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 ZINC000077321940 472503635 /nfs/dbraw/zinc/50/36/35/472503635.db2.gz YFBPKFISPQKGIL-KRWDZBQOSA-N 0 0 342.443 2.684 50 0 EFAARN COc1cccc(C(=O)CSc2ccc(-n3ccnc3)nn2)c1 ZINC000070688634 472504254 /nfs/dbraw/zinc/50/42/54/472504254.db2.gz QFYSXXIZIZXNNT-UHFFFAOYSA-N 0 0 326.381 2.646 50 0 EFAARN CC(C)(O)[C@@H]1CCCN(c2ncnc3c2Cc2ccccc2OC3)C1 ZINC000097713529 472505892 /nfs/dbraw/zinc/50/58/92/472505892.db2.gz VGGOBEFFVNPDFA-OAHLLOKOSA-N 0 0 339.439 2.947 50 0 EFAARN COCc1ccc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)o1 ZINC000077337623 472506403 /nfs/dbraw/zinc/50/64/03/472506403.db2.gz IOIHXBVQQWYMSY-UHFFFAOYSA-N 0 0 325.368 2.884 50 0 EFAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)CCCn3cncn3)nc2c1 ZINC000077337908 472506527 /nfs/dbraw/zinc/50/65/27/472506527.db2.gz BMSKONXJTFMPPZ-MRXNPFEDSA-N 0 0 338.415 2.607 50 0 EFAARN O=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1cccs1 ZINC000077339328 472507390 /nfs/dbraw/zinc/50/73/90/472507390.db2.gz VUCBQQQFAINOBD-CQSZACIVSA-N 0 0 328.503 2.876 50 0 EFAARN Cc1nnc(SCCCNC(=O)c2cc(C(C)C)no2)s1 ZINC000097813824 472507835 /nfs/dbraw/zinc/50/78/35/472507835.db2.gz XAKQFDBMWAUWHQ-UHFFFAOYSA-N 0 0 326.447 2.870 50 0 EFAARN CO[C@H](CNC(=O)c1ccccc1-c1nc[nH]n1)c1cccs1 ZINC000097819462 472508431 /nfs/dbraw/zinc/50/84/31/472508431.db2.gz POPCWVDAKBXQMY-CYBMUJFWSA-N 0 0 328.397 2.651 50 0 EFAARN COc1cccc(OC[C@@H]2CCCN(C(=O)c3snnc3C)C2)c1 ZINC000077354098 472510709 /nfs/dbraw/zinc/51/07/09/472510709.db2.gz RHMZMWPWRRLORZ-CYBMUJFWSA-N 0 0 347.440 2.786 50 0 EFAARN Cc1nnc(CCC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)[nH]1 ZINC000077355113 472510828 /nfs/dbraw/zinc/51/08/28/472510828.db2.gz VSEABNFGVOFIAZ-CQSZACIVSA-N 0 0 346.406 2.502 50 0 EFAARN O=C(CNC(=O)c1ccccc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000077356402 472510945 /nfs/dbraw/zinc/51/09/45/472510945.db2.gz BALIVOYXLZCVHA-MRXNPFEDSA-N 0 0 326.371 2.572 50 0 EFAARN COc1ccc(OC[C@H]2CCCN(C(=O)Cn3cc(C)cn3)C2)cc1 ZINC000077356005 472511600 /nfs/dbraw/zinc/51/16/00/472511600.db2.gz YCYCGZUQHUCAEI-INIZCTEOSA-N 0 0 343.427 2.518 50 0 EFAARN O=C(CC[C@H]1CCCO1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000046122852 472515318 /nfs/dbraw/zinc/51/53/18/472515318.db2.gz MLFAZNCYBPJONU-RRGNZLCHSA-N 0 0 328.456 2.803 50 0 EFAARN CCc1nc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)sc1C ZINC000058209483 472517670 /nfs/dbraw/zinc/51/76/70/472517670.db2.gz HEWXDKIXRLJMCP-UHFFFAOYSA-N 0 0 333.461 2.555 50 0 EFAARN Cc1ccc(OC2CCN(C(=O)COC[C@H]3CCCO3)CC2)cc1 ZINC000077386333 472518247 /nfs/dbraw/zinc/51/82/47/472518247.db2.gz QHRZYJAILDGXFU-GOSISDBHSA-N 0 0 333.428 2.560 50 0 EFAARN CNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2nccn2C)s1 ZINC000077385942 472518535 /nfs/dbraw/zinc/51/85/35/472518535.db2.gz JVUCYPIVASWLIH-ZDUSSCGKSA-N 0 0 347.488 2.854 50 0 EFAARN COc1ccc(OC[C@H]2CCCN(C(=O)c3ncoc3C)C2)cc1 ZINC000077406102 472521397 /nfs/dbraw/zinc/52/13/97/472521397.db2.gz JTBRYRCMHFDWTP-AWEZNQCLSA-N 0 0 330.384 2.923 50 0 EFAARN CCc1nnc(SCC(=O)N(C)Cc2cccc3ncccc23)[nH]1 ZINC000077408260 472521686 /nfs/dbraw/zinc/52/16/86/472521686.db2.gz CTTACNFQJQGPBC-UHFFFAOYSA-N 0 0 341.440 2.666 50 0 EFAARN O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC000077407149 472522384 /nfs/dbraw/zinc/52/23/84/472522384.db2.gz JMVDNRIMFRZCPW-INIZCTEOSA-N 0 0 338.407 2.841 50 0 EFAARN CCCCOC(=O)N1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000077406676 472522735 /nfs/dbraw/zinc/52/27/35/472522735.db2.gz LDHHBBNPBXTERJ-OAHLLOKOSA-N 0 0 349.479 2.527 50 0 EFAARN Cc1ccc(N2CCC(CNC(=O)/C=C/c3ccccc3)CC2)nn1 ZINC000070929658 472524347 /nfs/dbraw/zinc/52/43/47/472524347.db2.gz BBFWQFAOWNKANN-CSKARUKUSA-N 0 0 336.439 2.831 50 0 EFAARN O=C(/C=C/c1ccccc1)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC000070926556 472524900 /nfs/dbraw/zinc/52/49/00/472524900.db2.gz UOWKVAPNZCGELF-CMDGGOBGSA-N 0 0 349.434 2.763 50 0 EFAARN CCOC(=O)c1coc(N2CCCN(c3ccccc3C)CC2)n1 ZINC000077428501 472525791 /nfs/dbraw/zinc/52/57/91/472525791.db2.gz JBHWCDWYRRSRET-UHFFFAOYSA-N 0 0 329.400 2.876 50 0 EFAARN CCCCCNC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@H]1C ZINC000077428182 472526083 /nfs/dbraw/zinc/52/60/83/472526083.db2.gz UYNWMXCAWZNXSF-CQSZACIVSA-N 0 0 333.432 2.632 50 0 EFAARN CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)OC(C)C)CC1 ZINC000077426017 472526208 /nfs/dbraw/zinc/52/62/08/472526208.db2.gz ZMBCLFGTTAYVAT-UHFFFAOYSA-N 0 0 349.479 2.618 50 0 EFAARN Cc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)[nH]n1 ZINC000077425153 472526268 /nfs/dbraw/zinc/52/62/68/472526268.db2.gz KBBQQVWERVCAOI-LJQANCHMSA-N 0 0 346.475 2.609 50 0 EFAARN Cc1nn(C)cc1C(=O)N1CCC[C@H](COc2ccccc2C)C1 ZINC000077438012 472526967 /nfs/dbraw/zinc/52/69/67/472526967.db2.gz HLKMTIZSLHKXRZ-INIZCTEOSA-N 0 0 327.428 2.968 50 0 EFAARN O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)CCCn2cccn2)C1 ZINC000077456964 472529617 /nfs/dbraw/zinc/52/96/17/472529617.db2.gz LSZFTQFIBWYILZ-SFHVURJKSA-N 0 0 339.439 2.714 50 0 EFAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1nnc(-c2cccc(F)c2)o1 ZINC000077457047 472529857 /nfs/dbraw/zinc/52/98/57/472529857.db2.gz HNETVFJETIFLFD-OAHLLOKOSA-N 0 0 346.406 2.709 50 0 EFAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)N2CCCN32)cc1 ZINC000101170831 472530364 /nfs/dbraw/zinc/53/03/64/472530364.db2.gz BYIIOLNFLNQKTM-IPMKNSEASA-N 0 0 347.418 2.531 50 0 EFAARN CCn1c(N)nc2cc(C(=O)NCc3ccc(F)cc3Cl)cnc21 ZINC000077454894 472530573 /nfs/dbraw/zinc/53/05/73/472530573.db2.gz XNCXWCGYWKZEJN-UHFFFAOYSA-N 0 0 347.781 2.756 50 0 EFAARN O=C1[C@H]2[C@@H](C(=O)N1CCO)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101127794 472530784 /nfs/dbraw/zinc/53/07/84/472530784.db2.gz IYVPCEMKZSCRNM-JVSBHGNQSA-N 0 0 347.414 2.717 50 0 EFAARN O=C1[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101313152 472531478 /nfs/dbraw/zinc/53/14/78/472531478.db2.gz YSZPMGYXZZKTTA-ZBFHGGJFSA-N 0 0 340.766 2.628 50 0 EFAARN CCCc1cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)n(C)n1 ZINC000077469771 472532025 /nfs/dbraw/zinc/53/20/25/472532025.db2.gz GUSVLSRTESSOET-CQSZACIVSA-N 0 0 344.434 2.768 50 0 EFAARN O=C([C@@H]1Cc2ccccc2O1)N1CCC(OCc2cccnc2)CC1 ZINC000077471050 472532884 /nfs/dbraw/zinc/53/28/84/472532884.db2.gz UNXOYVYIMLHJIL-IBGZPJMESA-N 0 0 338.407 2.593 50 0 EFAARN CCC[C@H](C)N1CC2(CCN(C(=O)c3cscn3)CC2)OC1=O ZINC000077470689 472532985 /nfs/dbraw/zinc/53/29/85/472532985.db2.gz CHSUOMUPCJSICR-LBPRGKRZSA-N 0 0 337.445 2.759 50 0 EFAARN CCNC(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 ZINC000058279178 472533178 /nfs/dbraw/zinc/53/31/78/472533178.db2.gz XINZOUGJBAVWON-UHFFFAOYSA-N 0 0 329.381 2.558 50 0 EFAARN Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ncccc4O)C3)nc21 ZINC000077487184 472536794 /nfs/dbraw/zinc/53/67/94/472536794.db2.gz CWVPAAPBQQGCFQ-ZDUSSCGKSA-N 0 0 336.395 2.992 50 0 EFAARN CCc1nc2c(ncnc2N2CCN(c3ccc(Cl)cn3)CC2)o1 ZINC000077488231 472537265 /nfs/dbraw/zinc/53/72/65/472537265.db2.gz CWWZNMLCKDRQPO-UHFFFAOYSA-N 0 0 344.806 2.555 50 0 EFAARN CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC000058289681 472537416 /nfs/dbraw/zinc/53/74/16/472537416.db2.gz WVUJWKLRDYOORG-UHFFFAOYSA-N 0 0 332.322 2.960 50 0 EFAARN COCC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCC1 ZINC000077489426 472537863 /nfs/dbraw/zinc/53/78/63/472537863.db2.gz UOAPTAJBKOVECL-UHFFFAOYSA-N 0 0 336.863 2.801 50 0 EFAARN CC(=O)N[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C(C)C ZINC000077487756 472537975 /nfs/dbraw/zinc/53/79/75/472537975.db2.gz PQGWBKLSNQUUOX-SWLSCSKDSA-N 0 0 326.799 2.712 50 0 EFAARN O=C(c1cnc2ccccn2c1=O)N(Cc1ccsc1)C1CC1 ZINC000058293059 472538323 /nfs/dbraw/zinc/53/83/23/472538323.db2.gz RJPCOFNEYLKVED-UHFFFAOYSA-N 0 0 325.393 2.561 50 0 EFAARN Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000077503448 472540514 /nfs/dbraw/zinc/54/05/14/472540514.db2.gz DISYUIHEJFRIQF-CYBMUJFWSA-N 0 0 344.484 2.850 50 0 EFAARN CC(C)c1noc(CN2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077503815 472541588 /nfs/dbraw/zinc/54/15/88/472541588.db2.gz JBOYGMLESZUTJJ-SFHVURJKSA-N 0 0 334.464 2.806 50 0 EFAARN CC(C)N1C[C@H](C(=O)NCc2cc(F)ccc2C(F)(F)F)CC1=O ZINC000077505977 472542612 /nfs/dbraw/zinc/54/26/12/472542612.db2.gz YACKEIKPAHNOAX-LLVKDONJSA-N 0 0 346.324 2.718 50 0 EFAARN Cc1ccc(CN2CCN(C(=O)c3cc(C(C)C)no3)CC2=O)cc1 ZINC000077519046 472545613 /nfs/dbraw/zinc/54/56/13/472545613.db2.gz XMEBGNIENJJOHF-UHFFFAOYSA-N 0 0 341.411 2.591 50 0 EFAARN Nc1c(C(=O)Nc2ccccn2)cnc2c(-c3ccccc3)cnn21 ZINC000071282641 472545719 /nfs/dbraw/zinc/54/57/19/472545719.db2.gz YNTAEOSMZUPJKI-UHFFFAOYSA-N 0 0 330.351 2.626 50 0 EFAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000071282720 472545929 /nfs/dbraw/zinc/54/59/29/472545929.db2.gz LHKRCKYTYZGIKW-GFCCVEGCSA-N 0 0 329.356 2.668 50 0 EFAARN Cc1cc(N2CCCC2)nc2sc3c(ncnc3NCCCO)c21 ZINC000071280551 472546071 /nfs/dbraw/zinc/54/60/71/472546071.db2.gz IJLUEYVOJVMUKX-UHFFFAOYSA-N 0 0 343.456 2.942 50 0 EFAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)[nH]n2)o1 ZINC000077521509 472546145 /nfs/dbraw/zinc/54/61/45/472546145.db2.gz LRSAOSZNNASHSM-LBPRGKRZSA-N 0 0 325.372 2.721 50 0 EFAARN O=c1[nH]nc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1Cl ZINC000071278865 472546764 /nfs/dbraw/zinc/54/67/64/472546764.db2.gz GYUCCZVGXURWHS-UHFFFAOYSA-N 0 0 339.786 2.876 50 0 EFAARN CC(=O)c1cn(CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000071288821 472546992 /nfs/dbraw/zinc/54/69/92/472546992.db2.gz DUCSKZOPCMRKEA-AWEZNQCLSA-N 0 0 328.412 2.918 50 0 EFAARN COc1ccccc1N1CC[C@H](CNC(=O)COC2CCCCC2)C1 ZINC000058326514 472547276 /nfs/dbraw/zinc/54/72/76/472547276.db2.gz WBCLNXGYRPVPGA-MRXNPFEDSA-N 0 0 346.471 2.987 50 0 EFAARN CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ccc(O)cn1 ZINC000071315086 472547623 /nfs/dbraw/zinc/54/76/23/472547623.db2.gz AKCKNDJQIQTNSG-UHFFFAOYSA-N 0 0 348.406 2.749 50 0 EFAARN Cc1nccn1CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000077536953 472550218 /nfs/dbraw/zinc/55/02/18/472550218.db2.gz QLPZSYFMXRXSSS-UHFFFAOYSA-N 0 0 329.448 2.911 50 0 EFAARN CCOCCn1c2ccc(C(=O)NCC3CCCCC3)cc2[nH]c1=O ZINC000077537486 472550486 /nfs/dbraw/zinc/55/04/86/472550486.db2.gz HWTOKFQSODXDOI-UHFFFAOYSA-N 0 0 345.443 2.676 50 0 EFAARN CC[C@H](C)C(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071498640 472551459 /nfs/dbraw/zinc/55/14/59/472551459.db2.gz LBXPBLYXWZOBNL-LBPRGKRZSA-N 0 0 345.443 2.651 50 0 EFAARN COc1cc2c(cc1-c1nccn1[C@@H](C)c1cnn(C)c1)OCCO2 ZINC000071422242 472551877 /nfs/dbraw/zinc/55/18/77/472551877.db2.gz PMOHRIOUBTVJDO-LBPRGKRZSA-N 0 0 340.383 2.673 50 0 EFAARN CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCC(C)C)C1 ZINC000071498407 472552155 /nfs/dbraw/zinc/55/21/55/472552155.db2.gz HKSBBGFFGRTFMO-UHFFFAOYSA-N 0 0 325.416 2.511 50 0 EFAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000071589494 472552959 /nfs/dbraw/zinc/55/29/59/472552959.db2.gz 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CCC(=O)c1ccc(-c2cccc(C(=O)NCCNC(C)=O)c2)cc1 ZINC000426444695 477711047 /nfs/dbraw/zinc/71/10/47/477711047.db2.gz UWYCSKRRDKHRQP-UHFFFAOYSA-N 0 0 338.407 2.812 50 0 EFAARN CC[C@@H](Cn1ccnc1)NC(=O)Nc1cc2c(cc1C)OCCO2 ZINC000426518673 477711793 /nfs/dbraw/zinc/71/17/93/477711793.db2.gz DPPHQXOSOFERNF-ZDUSSCGKSA-N 0 0 330.388 2.563 50 0 EFAARN O=C(NCc1noc(C2CCCC2)n1)c1ccc2c(c1)CCCO2 ZINC000426529270 477715499 /nfs/dbraw/zinc/71/54/99/477715499.db2.gz KWAGBNSUXIBYAI-UHFFFAOYSA-N 0 0 327.384 2.982 50 0 EFAARN O=C(NCc1cn2ccccc2n1)N1CCC(Cc2cccnc2)CC1 ZINC000426529530 477715890 /nfs/dbraw/zinc/71/58/90/477715890.db2.gz ZWVHWXRLSUPHGS-UHFFFAOYSA-N 0 0 349.438 2.894 50 0 EFAARN O=C(NCc1nc2ccccc2s1)N1CCC[C@@H](c2ncon2)C1 ZINC000426535080 477717483 /nfs/dbraw/zinc/71/74/83/477717483.db2.gz GUPLXXHKHOEJHF-LLVKDONJSA-N 0 0 343.412 2.769 50 0 EFAARN CN(CC1(CO)CCOCC1)C(=O)NCc1ccc2sccc2c1 ZINC000426538342 477717706 /nfs/dbraw/zinc/71/77/06/477717706.db2.gz HWLJUWSRLKCBMG-UHFFFAOYSA-N 0 0 348.468 2.832 50 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CCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023641294 535791588 /nfs/dbraw/zinc/79/15/88/535791588.db2.gz YKUJYBQOOSBATQ-UHFFFAOYSA-N 0 0 336.745 2.605 50 0 EFAARN CCc1ccc2occ(CC(=O)N[C@H]3[C@@H](COC)[C@H]4OCC[C@@H]34)c2c1 ZINC000219295066 535839946 /nfs/dbraw/zinc/83/99/46/535839946.db2.gz AUMRLENCZADUTR-NBPAUJCUSA-N 0 0 343.423 2.704 50 0 EFAARN CCn1ccc(C(=O)N2CCC3(CCc4ccccc43)CC2)cc1=O ZINC000215547710 536095270 /nfs/dbraw/zinc/09/52/70/536095270.db2.gz XRYGYKOUNWSALL-UHFFFAOYSA-N 0 0 336.435 2.988 50 0 EFAARN C[N@H+](CCC(=O)Nc1ccsc1C(=O)[O-])C1CCSCC1 ZINC000244673621 536308132 /nfs/dbraw/zinc/30/81/32/536308132.db2.gz HSRSHRGVHWXARD-UHFFFAOYSA-N 0 0 328.459 2.602 50 0 EFAARN COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1cc2c(cc1O)OCO2 ZINC000218078744 536313614 /nfs/dbraw/zinc/31/36/14/536313614.db2.gz RWKXEVZUYTWRJM-NSHDSACASA-N 0 0 344.319 2.545 50 0 biogenic EFAARN CNC(=O)[C@H](NC(=O)c1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000222341640 536381286 /nfs/dbraw/zinc/38/12/86/536381286.db2.gz KTEZZPNGKOGFMK-GOSISDBHSA-N 0 0 337.423 2.504 50 0 EFAARN CN(Cc1[nH]nc2c1CCCCC2)Cc1ccc(S(C)(=O)=O)cc1 ZINC000215373688 536485781 /nfs/dbraw/zinc/48/57/81/536485781.db2.gz JNPYIWBVQFUORP-UHFFFAOYSA-N 0 0 347.484 2.714 50 0 EFAARN COc1ccc(C(=O)N(C)[C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000244605529 536702693 /nfs/dbraw/zinc/70/26/93/536702693.db2.gz FAFNFNROVNWWCA-LBPRGKRZSA-N 0 0 337.416 2.742 50 0 EFAARN COc1ccc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)o1 ZINC000219749992 536766642 /nfs/dbraw/zinc/76/66/42/536766642.db2.gz CFVZLSWCMGJXMQ-DACLVMHWSA-N 0 0 327.380 2.664 50 0 EFAARN COc1ccc([C@H](NC(=O)c2ccc(C)cc2F)[C@H]2C[C@@H](O)C2)cn1 ZINC000244678695 536928134 /nfs/dbraw/zinc/92/81/34/536928134.db2.gz IIMKIIILRXAGJU-IYOUNJFTSA-N 0 0 344.386 2.780 50 0 EFAARN COc1ccc([C@H](NC(=O)c2ccoc2C)[C@H]2C[C@@H](O)C2)cc1F ZINC000244678503 536928760 /nfs/dbraw/zinc/92/87/60/536928760.db2.gz IEUIJNYSHPXOPL-AHIWAGSCSA-N 0 0 333.359 2.978 50 0 EFAARN COc1ccc2[nH]c(C(=O)NCc3cnc(SC)n3C)cc2c1 ZINC000223327021 536959719 /nfs/dbraw/zinc/95/97/19/536959719.db2.gz XBASCYGQNFFVBZ-UHFFFAOYSA-N 0 0 330.413 2.562 50 0 EFAARN COc1ccccc1C1CCN(CC(=O)Nc2cnn(C)c2C)CC1 ZINC000244873029 537016146 /nfs/dbraw/zinc/01/61/46/537016146.db2.gz WIYNTKSQXOFELK-UHFFFAOYSA-N 0 0 342.443 2.555 50 0 EFAARN O=C(c1ccsn1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000333656020 545887175 /nfs/dbraw/zinc/88/71/75/545887175.db2.gz FWQBSIBSDFHKTK-UHFFFAOYSA-N 0 0 330.335 2.836 50 0 EFAARN O=C(c1cncc(O)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000340005918 545930982 /nfs/dbraw/zinc/93/09/82/545930982.db2.gz YIRJFDVXVJKROU-UHFFFAOYSA-N 0 0 330.409 2.553 50 0 EFAARN Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC000526064608 546305426 /nfs/dbraw/zinc/30/54/26/546305426.db2.gz VEDWXQGDQAWZKJ-UHFFFAOYSA-N 0 0 345.468 2.721 50 0 EFAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccc2n[nH]c(=O)n2c1 ZINC000670416498 547486730 /nfs/dbraw/zinc/48/67/30/547486730.db2.gz KSFVBKHUJHBQDB-OAHLLOKOSA-N 0 0 347.378 2.724 50 0 EFAARN C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cccc2c1CCC2=O ZINC000670437002 547489239 /nfs/dbraw/zinc/48/92/39/547489239.db2.gz BLQQLOBUWSTJGZ-HNNXBMFYSA-N 0 0 348.446 2.992 50 0 EFAARN O=C(NCc1[nH]nc2c1CCCCC2)c1cc(=O)c2ccccc2o1 ZINC000670439295 547489270 /nfs/dbraw/zinc/48/92/70/547489270.db2.gz YVNIIIYXVMSECH-UHFFFAOYSA-N 0 0 337.379 2.715 50 0 EFAARN COc1ccc(CC(=O)NCc2ccc3nsnc3c2)cc1OC ZINC000670437817 547489359 /nfs/dbraw/zinc/48/93/59/547489359.db2.gz ZLOMZTAONVPQBZ-UHFFFAOYSA-N 0 0 343.408 2.567 50 0 EFAARN O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CC(=O)OC12CCCCC2 ZINC000670442829 547489983 /nfs/dbraw/zinc/48/99/83/547489983.db2.gz VBOGXNOZOUCPGZ-LBPRGKRZSA-N 0 0 345.374 2.584 50 0 EFAARN Cc1cccc(SC2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c1 ZINC000670444282 547490019 /nfs/dbraw/zinc/49/00/19/547490019.db2.gz UFUSLQJJNUVWKT-INIZCTEOSA-N 0 0 348.512 2.847 50 0 EFAARN NC(=O)C1(NC(=O)CCCOCc2ccccc2)CCCCCC1 ZINC000670444725 547490255 /nfs/dbraw/zinc/49/02/55/547490255.db2.gz SPHMMDXWJMMIAD-UHFFFAOYSA-N 0 0 332.444 2.678 50 0 EFAARN CC(C)c1nccn1CCCNC(=O)Cn1ncc2ccccc21 ZINC000670442148 547490351 /nfs/dbraw/zinc/49/03/51/547490351.db2.gz OJHMDJCXSMYLLI-UHFFFAOYSA-N 0 0 325.416 2.563 50 0 EFAARN CCCCn1nc(Cc2ccccc2OC)nc1[C@H]1CCC(=O)N1 ZINC000670440583 547490495 /nfs/dbraw/zinc/49/04/95/547490495.db2.gz NGLOTOVYMNPLDQ-CQSZACIVSA-N 0 0 328.416 2.629 50 0 EFAARN O=C(NCc1[nH]nc2c1CCCCC2)c1ccc(-n2cccn2)cc1 ZINC000670443341 547490547 /nfs/dbraw/zinc/49/05/47/547490547.db2.gz NUCUGVYPJGLQFH-UHFFFAOYSA-N 0 0 335.411 2.794 50 0 EFAARN Cc1nnc([C@H](C)NC(=O)Cc2c(C)[nH]c3c2c(C)ccc3C)[nH]1 ZINC000670443400 547490712 /nfs/dbraw/zinc/49/07/12/547490712.db2.gz BKLCTXJOAYIVBV-LBPRGKRZSA-N 0 0 325.416 2.940 50 0 EFAARN CC(C)c1nnc(NC[C@H](c2ccccn2)N2CCOCC2)s1 ZINC000670447987 547491215 /nfs/dbraw/zinc/49/12/15/547491215.db2.gz VTEUCVIMLWDKOG-CQSZACIVSA-N 0 0 333.461 2.542 50 0 EFAARN Cc1nc2cc(CC(=O)NCCOc3ccccc3F)ccc2[nH]1 ZINC000670449723 547491547 /nfs/dbraw/zinc/49/15/47/547491547.db2.gz MQPYORXHFMARRQ-UHFFFAOYSA-N 0 0 327.359 2.748 50 0 EFAARN COc1ccc2cc([C@@H](C)NS(=O)(=O)N3CCCC3)ccc2c1 ZINC000670454154 547492423 /nfs/dbraw/zinc/49/24/23/547492423.db2.gz UIBBVIIABQDGOB-CYBMUJFWSA-N 0 0 334.441 2.840 50 0 EFAARN CCc1nc(Cc2c(C)noc2C)n(-c2ccc3c(c2)OCCO3)n1 ZINC000670458676 547493007 /nfs/dbraw/zinc/49/30/07/547493007.db2.gz ZSZCYXBGGBKAQH-UHFFFAOYSA-N 0 0 340.383 2.797 50 0 EFAARN CC[C@@H](C)Cc1nc(Cn2cnc3ccccc32)n(CCCO)n1 ZINC000670455809 547493081 /nfs/dbraw/zinc/49/30/81/547493081.db2.gz NGIIWTANKQXXME-CQSZACIVSA-N 0 0 327.432 2.647 50 0 EFAARN CC[C@H](C)Cc1nc(Cn2cnc3ccccc32)n(CCCO)n1 ZINC000670455808 547493419 /nfs/dbraw/zinc/49/34/19/547493419.db2.gz NGIIWTANKQXXME-AWEZNQCLSA-N 0 0 327.432 2.647 50 0 EFAARN C[C@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1-n1cccn1 ZINC000670456613 547493671 /nfs/dbraw/zinc/49/36/71/547493671.db2.gz IDMGBRGAVVPSTA-NSHDSACASA-N 0 0 331.326 2.955 50 0 EFAARN O=C(NCc1[nH]nc2c1CCCCC2)[C@@H]1CCOc2ccccc2C1 ZINC000670467223 547494720 /nfs/dbraw/zinc/49/47/20/547494720.db2.gz VGTARHWLLZQXRJ-OAHLLOKOSA-N 0 0 339.439 2.936 50 0 EFAARN COCCc1nc(-c2cc3ncccn3n2)n(Cc2ccccc2C)n1 ZINC000670467826 547494895 /nfs/dbraw/zinc/49/48/95/547494895.db2.gz WHOLWYIJIGTERG-UHFFFAOYSA-N 0 0 348.410 2.533 50 0 EFAARN COc1ccc2[nH]c(CNC(=O)[C@H]3COc4ccccc4O3)cc2c1 ZINC000670468357 547495413 /nfs/dbraw/zinc/49/54/13/547495413.db2.gz UYQONIYLQAMMGG-GOSISDBHSA-N 0 0 338.363 2.633 50 0 EFAARN O=C(CCCn1cccn1)NCc1nc(-c2ccccc2Cl)no1 ZINC000670473804 547495865 /nfs/dbraw/zinc/49/58/65/547495865.db2.gz PVUOJBXZUFJOKA-UHFFFAOYSA-N 0 0 345.790 2.683 50 0 EFAARN Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NC2(CC(C)(C)C)CC2)C1 ZINC000670472669 547496080 /nfs/dbraw/zinc/49/60/80/547496080.db2.gz LUOODHHZNVELRX-CQSZACIVSA-N 0 0 346.475 2.993 50 0 EFAARN Cc1cnn(CCC(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000670473493 547496417 /nfs/dbraw/zinc/49/64/17/547496417.db2.gz LRMRERXAJULSLO-UHFFFAOYSA-N 0 0 345.834 2.860 50 0 EFAARN CCCc1cc(CNS(=O)(=O)c2cc(OC)c(C)cc2C)on1 ZINC000670473290 547496462 /nfs/dbraw/zinc/49/64/62/547496462.db2.gz KJEQKBRIJRTOFN-UHFFFAOYSA-N 0 0 338.429 2.731 50 0 EFAARN Cn1cc([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)cn1 ZINC000681292175 549502896 /nfs/dbraw/zinc/50/28/96/549502896.db2.gz CJZQCHPQBQFTDA-INIZCTEOSA-N 0 0 335.411 2.626 50 0 EFAARN Cc1nnc([C@H]2OCC[C@H]2CNC(=O)c2cc(C)ccc2C2CC2)[nH]1 ZINC000685940147 550196958 /nfs/dbraw/zinc/19/69/58/550196958.db2.gz XYKQWLSBFIXJIJ-YOEHRIQHSA-N 0 0 340.427 2.807 50 0 EFAARN CCc1ncnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c1F ZINC000685940275 550196967 /nfs/dbraw/zinc/19/69/67/550196967.db2.gz BXNXIDRVIWTQIK-SGTLLEGYSA-N 0 0 343.406 2.997 50 0 EFAARN CN1C(=O)N=NC1C[C@H]1CCCC[C@H]1NC(=O)C=C1CCCCC1 ZINC000685942950 550197564 /nfs/dbraw/zinc/19/75/64/550197564.db2.gz YIILPDNMQAUJGB-HUUCEWRRSA-N 0 0 332.448 2.629 50 0 EFAARN CC1CCC(=CC(=O)N2CCCC[C@@H]2c2n[nH]cc2C(N)=O)CC1 ZINC000685942957 550197627 /nfs/dbraw/zinc/19/76/27/550197627.db2.gz YOBFPQSGSXZJRO-WPZCJLIBSA-N 0 0 330.432 2.699 50 0 EFAARN CSCC[C@@H](C(=O)NCc1nc(-c2ccco2)no1)n1cccc1 ZINC000575443204 564079472 /nfs/dbraw/zinc/07/94/72/564079472.db2.gz OGDBHWUCLKWEAQ-LBPRGKRZSA-N 0 0 346.412 2.742 50 0 EFAARN CSCC[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1cccc1 ZINC000575443165 564079484 /nfs/dbraw/zinc/07/94/84/564079484.db2.gz BXBFNJSOTZLATR-ZDUSSCGKSA-N 0 0 336.486 2.901 50 0 EFAARN Cc1nnnn1-c1cccc(NC(=O)[C@H](CC(C)C)n2cccc2)c1 ZINC000575443618 564079576 /nfs/dbraw/zinc/07/95/76/564079576.db2.gz YSFJLOYCFKPXOP-KRWDZBQOSA-N 0 0 338.415 2.998 50 0 EFAARN COC(=O)[C@H](NCc1ccccc1)C(C)(C)NC(=O)OC(C)(C)C ZINC000498051139 564113112 /nfs/dbraw/zinc/11/31/12/564113112.db2.gz XQGGDDKJDXCGBU-AWEZNQCLSA-N 0 0 336.432 2.621 50 0 EFAARN Cc1nnsc1CNC(=O)N(C)Cc1c(C)nn(C(C)C)c1C ZINC000584884264 564131404 /nfs/dbraw/zinc/13/14/04/564131404.db2.gz BNJPMMRPCPSNGR-UHFFFAOYSA-N 0 0 336.465 2.582 50 0 EFAARN CC[C@](C(=O)OC)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC001772575832 1248832556 /nfs/dbraw/zinc/83/25/56/1248832556.db2.gz LSDAAXGGXQCLOJ-LJQANCHMSA-N 0 0 341.338 2.900 50 0 EFAARN OC[C@H](O)C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001772701213 1249284063 /nfs/dbraw/zinc/28/40/63/1249284063.db2.gz MNTMYQLSIZWGPO-INIZCTEOSA-N 0 0 336.432 2.514 50 0 EFAARN Cc1cc(C)n(CCCN(C)C(=O)c2cnn3cccc(C)c23)n1 ZINC001772700686 1249284471 /nfs/dbraw/zinc/28/44/71/1249284471.db2.gz ICRKWXUAQBWOMI-UHFFFAOYSA-N 0 0 325.416 2.618 50 0 EFAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)c1 ZINC001772702003 1249285292 /nfs/dbraw/zinc/28/52/92/1249285292.db2.gz QDCNRDKRMCOYPA-UHFFFAOYSA-N 0 0 346.452 2.972 50 0 EFAARN O=C([O-])[C@@]12C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]1COCC2 ZINC001772702584 1249285350 /nfs/dbraw/zinc/28/53/50/1249285350.db2.gz UAHNJEKEYWKRES-HIFRSBDPSA-N 0 0 329.318 2.629 50 0 EFAARN COc1ccc(NC(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1Cl ZINC001772702572 1249285396 /nfs/dbraw/zinc/28/53/96/1249285396.db2.gz HGPURSWPETVZKA-PWSUYJOCSA-N 0 0 337.807 2.576 50 0 EFAARN CC(=O)c1cnc(NCc2ccc(C(=O)N3CCCC3)cc2)nc1C ZINC001772703718 1249286280 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/nfs/dbraw/zinc/33/71/16/202337116.db2.gz RQSJGCQFUVMFFF-UHFFFAOYSA-N 0 0 325.408 2.554 50 0 EFAARN COc1ccccc1NC(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000070812196 202337675 /nfs/dbraw/zinc/33/76/75/202337675.db2.gz FEHNBFOANFOBKJ-UHFFFAOYSA-N 0 0 349.390 2.887 50 0 EFAARN Cc1nc2ccccn2c1C(=O)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000070966470 202339333 /nfs/dbraw/zinc/33/93/33/202339333.db2.gz HIQOOAGKOBVNLK-HXUWFJFHSA-N 0 0 335.407 2.670 50 0 EFAARN COc1cc(N)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000036379540 202324096 /nfs/dbraw/zinc/32/40/96/202324096.db2.gz MHJBBKPFTZBDCM-UHFFFAOYSA-N 0 0 330.768 2.871 50 0 EFAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCCC1 ZINC000036360407 202324165 /nfs/dbraw/zinc/32/41/65/202324165.db2.gz SVAIOUFPFGGVKB-MRXNPFEDSA-N 0 0 329.400 2.984 50 0 EFAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCCC1 ZINC000036360406 202324296 /nfs/dbraw/zinc/32/42/96/202324296.db2.gz SVAIOUFPFGGVKB-INIZCTEOSA-N 0 0 329.400 2.984 50 0 EFAARN O=C(COc1ccccc1F)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070966396 202339003 /nfs/dbraw/zinc/33/90/03/202339003.db2.gz QUTIQEMFGCINKS-IBGZPJMESA-N 0 0 329.371 2.619 50 0 EFAARN CCn1cc(-c2cc(C(F)(F)F)nc(NCCOC)n2)c(C)n1 ZINC000036618578 202327113 /nfs/dbraw/zinc/32/71/13/202327113.db2.gz OAVDCNFLQSAMLA-UHFFFAOYSA-N 0 0 329.326 2.746 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cc1C ZINC000036615246 202327459 /nfs/dbraw/zinc/32/74/59/202327459.db2.gz PDJMAFIAGTVUEA-UHFFFAOYSA-N 0 0 327.837 2.511 50 0 EFAARN CCCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3ncnn32)n1 ZINC000036619152 202327606 /nfs/dbraw/zinc/32/76/06/202327606.db2.gz VSSUIXDFTSRFLH-UHFFFAOYSA-N 0 0 347.382 2.650 50 0 EFAARN CCNS(=O)(=O)c1ccc(Br)cc1Br ZINC000037654396 202349010 /nfs/dbraw/zinc/34/90/10/202349010.db2.gz YFNYUGZMBWJQGI-UHFFFAOYSA-N 0 0 343.040 2.510 50 0 EFAARN CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000020724875 283493754 /nfs/dbraw/zinc/49/37/54/283493754.db2.gz CTBXTUILTXUFEK-UHFFFAOYSA-N 0 0 349.390 2.820 50 0 EFAARN O=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000070969519 202339566 /nfs/dbraw/zinc/33/95/66/202339566.db2.gz NVWGVRKWAQFDCD-LJQANCHMSA-N 0 0 340.379 2.835 50 0 EFAARN COc1ccc(CNC(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1 ZINC000070969537 202339570 /nfs/dbraw/zinc/33/95/70/202339570.db2.gz UFGWPZBWKLCOHA-HXUWFJFHSA-N 0 0 340.423 2.792 50 0 EFAARN Cc1cc(S(=O)(=O)Nc2ccncc2)ccc1Br ZINC000037385854 202340242 /nfs/dbraw/zinc/34/02/42/202340242.db2.gz GBYTYOKLHRFWJN-UHFFFAOYSA-N 0 0 327.203 2.953 50 0 EFAARN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@H](c2ccnn2C)C1 ZINC000072270560 202359741 /nfs/dbraw/zinc/35/97/41/202359741.db2.gz CKGGRCNZBQYYBP-STQMWFEESA-N 0 0 347.850 2.675 50 0 EFAARN CCc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C(C)C)no2)no1 ZINC000072279317 202361138 /nfs/dbraw/zinc/36/11/38/202361138.db2.gz SKQHSSKMTLSIFK-LBPRGKRZSA-N 0 0 333.392 2.519 50 0 EFAARN CC(C)COc1cccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 ZINC000072325548 202363797 /nfs/dbraw/zinc/36/37/97/202363797.db2.gz BEJBXANYZQAXAI-CQSZACIVSA-N 0 0 329.396 2.914 50 0 biogenic EFAARN Cc1ccc(CS(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000074917901 202373022 /nfs/dbraw/zinc/37/30/22/202373022.db2.gz QSWKGPZULCBKPW-UHFFFAOYSA-N 0 0 333.409 2.686 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCCCO2 ZINC000075156635 202375849 /nfs/dbraw/zinc/37/58/49/202375849.db2.gz CKTSKDIIFVGHJC-UHFFFAOYSA-N 0 0 325.792 2.718 50 0 EFAARN C[C@](O)(CNS(=O)(=O)c1cccc2ccccc21)c1ccco1 ZINC000075156322 202375898 /nfs/dbraw/zinc/37/58/98/202375898.db2.gz BQWIOOMHBUWYSR-KRWDZBQOSA-N 0 0 331.393 2.619 50 0 EFAARN CSC[C@@](C)(O)CNC(=O)COc1ccc(Cl)cc1Cl ZINC000075157276 202376256 /nfs/dbraw/zinc/37/62/56/202376256.db2.gz UJEJANOOGGJPNP-ZDUSSCGKSA-N 0 0 338.256 2.602 50 0 EFAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)c(F)c1 ZINC000075156962 202376656 /nfs/dbraw/zinc/37/66/56/202376656.db2.gz ITANJDWPGGPNRB-UHFFFAOYSA-N 0 0 348.349 2.840 50 0 EFAARN CSCC[C@@](C)(O)CNC(=O)COc1ccc2ccccc2c1 ZINC000075157507 202377046 /nfs/dbraw/zinc/37/70/46/202377046.db2.gz 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/nfs/dbraw/zinc/37/80/16/202378016.db2.gz IQBSHKXARQNDPE-UHFFFAOYSA-N 0 0 340.362 2.640 50 0 EFAARN Cc1ccccc1NC(=O)NCCNc1cc(-n2cccc2)ncn1 ZINC000075172277 202378068 /nfs/dbraw/zinc/37/80/68/202378068.db2.gz WQRFBFBAVMWRDA-UHFFFAOYSA-N 0 0 336.399 2.809 50 0 EFAARN Cc1cc(S(=O)(=O)NCC[C@H](O)C2CC2)c(Cl)cc1Cl ZINC000077108120 202383467 /nfs/dbraw/zinc/38/34/67/202383467.db2.gz BHFKWFWFWVFCNQ-LBPRGKRZSA-N 0 0 338.256 2.741 50 0 EFAARN O=C(NCC[C@H](O)c1cccs1)c1cc(=O)c2ccccc2o1 ZINC000077113924 202384412 /nfs/dbraw/zinc/38/44/12/202384412.db2.gz CPCBKOYSOBOLKX-LBPRGKRZSA-N 0 0 329.377 2.708 50 0 EFAARN CCOc1cccn2cc(CCN3C(=O)c4ccccc4C3=O)nc12 ZINC000073647956 202370333 /nfs/dbraw/zinc/37/03/33/202370333.db2.gz KEGIFCAVXVAMHW-UHFFFAOYSA-N 0 0 335.363 2.572 50 0 EFAARN O=C(NCCCn1ccnc1)c1ccc(Oc2nccs2)cc1 ZINC000077890160 202394528 /nfs/dbraw/zinc/39/45/28/202394528.db2.gz MEXWFHCKQRUSBD-UHFFFAOYSA-N 0 0 328.397 2.952 50 0 EFAARN COc1ccc(Cc2nn3c(CN4CCCCC4)nnc3s2)cc1 ZINC000039389227 202412644 /nfs/dbraw/zinc/41/26/44/202412644.db2.gz XRUMKAXXPTWKFP-UHFFFAOYSA-N 0 0 343.456 2.771 50 0 EFAARN COc1cccc(NC(=O)c2cc(NC(=O)c3ccco3)n(C)n2)c1 ZINC000040745703 202462766 /nfs/dbraw/zinc/46/27/66/202462766.db2.gz FCAMABYLEDLRBR-UHFFFAOYSA-N 0 0 340.339 2.526 50 0 EFAARN C[C@]1(C(=O)NCc2cccs2)Oc2ccc(Cl)cc2NC1=O ZINC000041549351 202482087 /nfs/dbraw/zinc/48/20/87/202482087.db2.gz XZPGQFJQGXLDCF-OAHLLOKOSA-N 0 0 336.800 2.808 50 0 EFAARN Cc1cc(NCc2nc(Cc3cccs3)no2)n2nccc2n1 ZINC000072431944 216225985 /nfs/dbraw/zinc/22/59/85/216225985.db2.gz HXBUQKPJZRLSPK-UHFFFAOYSA-N 0 0 326.385 2.685 50 0 EFAARN Cc1nccn1CCN(C)c1nc(C2CCCC2)nc2c1cnn2C ZINC000072478796 216257038 /nfs/dbraw/zinc/25/70/38/216257038.db2.gz WODADPIDOLUMNW-UHFFFAOYSA-N 0 0 339.447 2.662 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H](CCC(N)=O)C2)c1 ZINC000072478404 216257362 /nfs/dbraw/zinc/25/73/62/216257362.db2.gz BZVQLXRWIVXOIV-MRXNPFEDSA-N 0 0 346.471 2.508 50 0 EFAARN Cc1cccnc1CN1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000072478855 216258800 /nfs/dbraw/zinc/25/88/00/216258800.db2.gz OOENWGGGLDYSIS-FQEVSTJZSA-N 0 0 349.478 2.839 50 0 EFAARN CCC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 ZINC000014806402 201059426 /nfs/dbraw/zinc/05/94/26/201059426.db2.gz LIVRDRUFOJECRK-MSOLQXFVSA-N 0 0 328.320 2.736 50 0 biogenic EFAARN Cc1ncc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)s1 ZINC000036385836 201079543 /nfs/dbraw/zinc/07/95/43/201079543.db2.gz SWDGKINHJJAOSU-GOSISDBHSA-N 0 0 345.512 2.829 50 0 EFAARN Cc1noc(C)c1CC(=O)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000239593137 201152695 /nfs/dbraw/zinc/15/26/95/201152695.db2.gz DQUZOIKBHOGVTB-KRWDZBQOSA-N 0 0 346.408 2.541 50 0 EFAARN Cc1ccc(CNC(=O)CN2CC[C@H](CNc3ccccn3)C2)s1 ZINC000065457886 201153961 /nfs/dbraw/zinc/15/39/61/201153961.db2.gz MXKXAUWFJAJSJO-OAHLLOKOSA-N 0 0 344.484 2.502 50 0 EFAARN Cc1csc([C@@H]2CN([C@H](C(=O)N(C)C)c3ccccc3)CCO2)n1 ZINC000065458770 201154381 /nfs/dbraw/zinc/15/43/81/201154381.db2.gz UEJXFFBFXNUOPD-HOTGVXAUSA-N 0 0 345.468 2.654 50 0 EFAARN Cc1nnc2n1C[C@@H](NC(=O)c1csc(-c3cccs3)n1)CC2 ZINC000065463330 201154981 /nfs/dbraw/zinc/15/49/81/201154981.db2.gz AEEMRKHYLJVLEI-JTQLQIEISA-N 0 0 345.453 2.516 50 0 EFAARN CCN1CCc2ncnc(N(C)Cc3cc(-c4ccco4)on3)c2C1 ZINC000065513595 201155399 /nfs/dbraw/zinc/15/53/99/201155399.db2.gz BKQONZRLHQYWFV-UHFFFAOYSA-N 0 0 339.399 2.739 50 0 EFAARN Cc1ccc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3nccs3)C2)nc1 ZINC000065502619 201155973 /nfs/dbraw/zinc/15/59/73/201155973.db2.gz NQDMLTKVSSMFJP-KBPBESRZSA-N 0 0 345.472 2.608 50 0 EFAARN Fc1ccc(-c2noc(CN3CCO[C@@H](c4nccs4)C3)n2)cc1 ZINC000065594838 201156175 /nfs/dbraw/zinc/15/61/75/201156175.db2.gz FXXIJHITFBXKIM-CYBMUJFWSA-N 0 0 346.387 2.906 50 0 EFAARN O=C(NCCn1cnc2sccc2c1=O)c1cc2ccccc2o1 ZINC000253404200 201186287 /nfs/dbraw/zinc/18/62/87/201186287.db2.gz QVVUAGPRANWCLR-UHFFFAOYSA-N 0 0 339.376 2.634 50 0 EFAARN O=C(NCCc1cccs1)c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000253473778 201187851 /nfs/dbraw/zinc/18/78/51/201187851.db2.gz YKFDWVXDYRATQD-AWEZNQCLSA-N 0 0 332.425 2.673 50 0 EFAARN CC(C)N1C(=O)N[C@@H]2[C@@H]([C@@H]1c1ccccc1)[C@H](C)NC(=O)N2C(C)C ZINC000248041766 201178258 /nfs/dbraw/zinc/17/82/58/201178258.db2.gz PFWXSCUXNSMURW-ORQFMDKSSA-N 0 0 344.459 2.926 50 0 EFAARN COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccccc2)CNC3=O)c1 ZINC000263618568 201208046 /nfs/dbraw/zinc/20/80/46/201208046.db2.gz UJYQLIQTIQAOEN-LJQANCHMSA-N 0 0 348.406 2.591 50 0 EFAARN CCCCNC(=O)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000263619118 201208553 /nfs/dbraw/zinc/20/85/53/201208553.db2.gz WZEKUSMLEPFRJP-CQSZACIVSA-N 0 0 334.807 2.733 50 0 EFAARN COC(=O)[C@]1(C)C[C@@H](CO)[C@@H](c2ccc(Cl)cc2Cl)N1C ZINC000012336753 201364368 /nfs/dbraw/zinc/36/43/68/201364368.db2.gz PGGNJUFXKPAEFZ-FGEZKYSXSA-N 0 0 332.227 2.910 50 0 EFAARN COc1c2ccoc2nc2c1CC[C@@H](O)[C@@]2(CCC(C)(C)O)OC ZINC000000199427 201357383 /nfs/dbraw/zinc/35/73/83/201357383.db2.gz KHGNFPUMBJSZSM-FZKQIMNGSA-N 0 0 335.400 2.536 50 0 biogenic EFAARN O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1Br ZINC000152530157 201392931 /nfs/dbraw/zinc/39/29/31/201392931.db2.gz YMRBNUASMRPCGB-LBPRGKRZSA-N 0 0 346.228 2.853 50 0 EFAARN CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc3cccnc31)CC2 ZINC000097198029 201381478 /nfs/dbraw/zinc/38/14/78/201381478.db2.gz LDGWMZITGGXFEE-CQSZACIVSA-N 0 0 335.411 2.695 50 0 EFAARN Cc1ccc(NC[C@H]2CCN(Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000097200824 201381893 /nfs/dbraw/zinc/38/18/93/201381893.db2.gz RTIUKNPYSFGOBG-CQSZACIVSA-N 0 0 339.399 2.967 50 0 EFAARN O=C(CN1CC[C@@H](CNc2ccccn2)C1)Nc1ccc(Cl)cn1 ZINC000097200595 201382277 /nfs/dbraw/zinc/38/22/77/201382277.db2.gz UYSXEIAQSCEIRW-ZDUSSCGKSA-N 0 0 345.834 2.503 50 0 EFAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000097203754 201384290 /nfs/dbraw/zinc/38/42/90/201384290.db2.gz AKNUIMLUTFBHBT-HOCLYGCPSA-N 0 0 345.468 2.736 50 0 EFAARN O=C(NCCCc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000153490770 201395123 /nfs/dbraw/zinc/39/51/23/201395123.db2.gz MINPOWQJTXOIIE-GOSISDBHSA-N 0 0 325.412 2.877 50 0 EFAARN CNS(=O)(=O)c1ccc(Oc2ncccc2C(F)(F)F)cc1 ZINC000044676219 202526491 /nfs/dbraw/zinc/52/64/91/202526491.db2.gz CTYYQRJDFJVQNB-UHFFFAOYSA-N 0 0 332.303 2.801 50 0 EFAARN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000044779476 202527016 /nfs/dbraw/zinc/52/70/16/202527016.db2.gz BMKHKOSDAVXOAJ-GFCCVEGCSA-N 0 0 341.342 2.959 50 0 EFAARN C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000003504093 541317825 /nfs/dbraw/zinc/31/78/25/541317825.db2.gz CYNKRHZDXVDIRS-LBPRGKRZSA-N 0 0 325.397 2.782 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)c2csc(-c3ccco3)n2)CC1 ZINC000024694370 212433463 /nfs/dbraw/zinc/43/34/63/212433463.db2.gz VTMZMNTVUZWHJR-UHFFFAOYSA-N 0 0 343.412 2.551 50 0 EFAARN Cc1cc(NC(=O)Cn2cc(-c3ccc4ccccc4n3)cn2)n(C)n1 ZINC000048156042 202592035 /nfs/dbraw/zinc/59/20/35/202592035.db2.gz HIVHSBPFWDCHFN-UHFFFAOYSA-N 0 0 346.394 2.779 50 0 EFAARN CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCCc2ccccc21 ZINC000047442345 202581402 /nfs/dbraw/zinc/58/14/02/202581402.db2.gz VEHUTJZOEJISPY-LJQANCHMSA-N 0 0 347.422 2.741 50 0 EFAARN CC(C)(O)c1cn(C2CCN(C(=O)CCC3CCCC3)CC2)nn1 ZINC000048246252 202595758 /nfs/dbraw/zinc/59/57/58/202595758.db2.gz GLFYCEOPSDIWRG-UHFFFAOYSA-N 0 0 334.464 2.639 50 0 EFAARN CCCCc1cn(CC2CCN(C(=O)c3scnc3C)CC2)nn1 ZINC000048261775 202596767 /nfs/dbraw/zinc/59/67/67/202596767.db2.gz MDLFZSMWUYSPSK-UHFFFAOYSA-N 0 0 347.488 2.938 50 0 EFAARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1/C=C/c1ccccc1 ZINC000005055011 283742560 /nfs/dbraw/zinc/74/25/60/283742560.db2.gz XJBNAGZFOCCCHZ-OKWZRIHXSA-N 0 0 342.420 2.849 50 0 aggregator EFAARN Cc1nnc2ccc(SCC(=O)Nc3ccccc3Cl)nn12 ZINC000049547400 202624316 /nfs/dbraw/zinc/62/43/16/202624316.db2.gz QEIIKSQISCQJRF-UHFFFAOYSA-N 0 0 333.804 2.817 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CCNC(=O)c1c[nH]c2ccccc12 ZINC000085878028 202630146 /nfs/dbraw/zinc/63/01/46/202630146.db2.gz KOEYKHVPQKISOJ-UHFFFAOYSA-N 0 0 346.390 2.616 50 0 biogenic EFAARN COCCN(Cc1cccs1)C(=O)c1cccc(-n2cnnc2)c1 ZINC000055227937 202685053 /nfs/dbraw/zinc/68/50/53/202685053.db2.gz 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/nfs/dbraw/zinc/72/35/10/202723510.db2.gz ZVJGLONIHAOIGQ-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN CC1CCN(C(=O)Cn2cnc3c4ccccc4sc3c2=O)CC1 ZINC000057507917 202723612 /nfs/dbraw/zinc/72/36/12/202723612.db2.gz RZVNXIFWLOTVON-UHFFFAOYSA-N 0 0 341.436 2.870 50 0 EFAARN CCc1cc(=O)n(CC(=O)NC(C)C)c(-c2cccc(Cl)c2)n1 ZINC000057527721 202724486 /nfs/dbraw/zinc/72/44/86/202724486.db2.gz KDZMRNULNYLVQK-UHFFFAOYSA-N 0 0 333.819 2.651 50 0 EFAARN CCOC(=O)[C@@]1(CC)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O ZINC000000034339 201424939 /nfs/dbraw/zinc/42/49/39/201424939.db2.gz MAXUMEIVVUHYLR-PIGZYNQJSA-N 0 0 348.424 2.930 50 0 EFAARN NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000000030771 201425010 /nfs/dbraw/zinc/42/50/10/201425010.db2.gz KAFKWROXFAWVNJ-UHFFFAOYSA-N 0 0 333.185 2.729 50 0 EFAARN CC(=O)c1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000023143523 212355828 /nfs/dbraw/zinc/35/58/28/212355828.db2.gz SBJPBPJCQBCGRA-UHFFFAOYSA-N 0 0 347.436 2.863 50 0 EFAARN Cc1cc(S(=O)(=O)NCCOc2ccc(F)cc2)ccc1F ZINC000023143484 212355882 /nfs/dbraw/zinc/35/58/82/212355882.db2.gz OAKSGTURWHVGEQ-UHFFFAOYSA-N 0 0 327.352 2.631 50 0 EFAARN C[C@H]1c2cccn2CCN1C(=O)c1ccccc1N1CCOCC1 ZINC000065425778 291324108 /nfs/dbraw/zinc/32/41/08/291324108.db2.gz GLSHPKQYLSMLGX-HNNXBMFYSA-N 0 0 325.412 2.542 50 0 EFAARN Cc1c(Cl)cccc1NC(=O)COc1cc(=O)n2ccccc2n1 ZINC000023141348 212354857 /nfs/dbraw/zinc/35/48/57/212354857.db2.gz IKDUXHSZLOJCAV-UHFFFAOYSA-N 0 0 343.770 2.674 50 0 EFAARN CCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1 ZINC000023143468 212354203 /nfs/dbraw/zinc/35/42/03/212354203.db2.gz SXTWSXCNKXMFNW-UHFFFAOYSA-N 0 0 329.418 2.807 50 0 EFAARN COc1ccc(OC)c(Nc2nc(CC(=O)NC3CC3)cs2)c1 ZINC000023136638 212353509 /nfs/dbraw/zinc/35/35/09/212353509.db2.gz DAEMXAXBWLXPNK-UHFFFAOYSA-N 0 0 333.413 2.725 50 0 EFAARN CC(C)c1ccc(OCC(=O)Nc2nnc(-c3ccnn3C)o2)cc1 ZINC000023128122 212352870 /nfs/dbraw/zinc/35/28/70/212352870.db2.gz FQPHVLMXANEEBO-UHFFFAOYSA-N 0 0 341.371 2.611 50 0 EFAARN O=C(Cc1cccs1)NC[C@H](c1ccsc1)N1CCOCC1 ZINC000022765743 212322339 /nfs/dbraw/zinc/32/23/39/212322339.db2.gz OBSQPNJPBIDKEJ-OAHLLOKOSA-N 0 0 336.482 2.542 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(NC(C)=O)cc1 ZINC000000062710 201428540 /nfs/dbraw/zinc/42/85/40/201428540.db2.gz APKGBXWZPXKTGK-KRWDZBQOSA-N 0 0 342.351 2.943 50 0 EFAARN Brc1ccccc1CN1CCN(c2ncccn2)CC1 ZINC000022591409 212308943 /nfs/dbraw/zinc/30/89/43/212308943.db2.gz IVFBPWJXLDUCQE-UHFFFAOYSA-N 0 0 333.233 2.561 50 0 EFAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(C)=O ZINC000000069260 201429822 /nfs/dbraw/zinc/42/98/22/201429822.db2.gz WZSKLTVIGWVEKR-GDNBJRDFSA-N 0 0 337.331 2.965 50 0 EFAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1OC ZINC000022506548 212302134 /nfs/dbraw/zinc/30/21/34/212302134.db2.gz MZZAWCMYNRFEHZ-UHFFFAOYSA-N 0 0 341.367 2.520 50 0 EFAARN CN1C(=O)Cc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000022506686 212302214 /nfs/dbraw/zinc/30/22/14/212302214.db2.gz OERKHAIRQRWJJZ-UHFFFAOYSA-N 0 0 325.324 2.578 50 0 EFAARN O=C(COc1ccc(Cl)cc1)NCCOc1ccc2c(c1)OCO2 ZINC000022480468 212300562 /nfs/dbraw/zinc/30/05/62/212300562.db2.gz MAYHPTBZQGMNJB-UHFFFAOYSA-N 0 0 349.770 2.643 50 0 EFAARN Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2nonc2N)no1 ZINC000000076424 201430773 /nfs/dbraw/zinc/43/07/73/201430773.db2.gz PMOXWYPDHNGPMD-UHFFFAOYSA-N 0 0 344.718 2.986 50 0 EFAARN CCOc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O ZINC000000077659 201430804 /nfs/dbraw/zinc/43/08/04/201430804.db2.gz KJDGWDOKFNAOLF-HNNXBMFYSA-N 0 0 325.368 2.847 50 0 aggregator EFAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)cc1 ZINC000000087348 201431596 /nfs/dbraw/zinc/43/15/96/201431596.db2.gz UQBTUZYMEGHSKV-QGZVFWFLSA-N 0 0 348.399 2.945 50 0 EFAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000000084007 201431662 /nfs/dbraw/zinc/43/16/62/201431662.db2.gz ZSSJNHTXEQPIQP-AWEZNQCLSA-N 0 0 342.370 2.504 50 0 EFAARN O=C(NCc1cnn2ccccc12)C1(c2ccccc2)CCOCC1 ZINC000075162854 216591020 /nfs/dbraw/zinc/59/10/20/216591020.db2.gz DYIUQHOKTZFMAB-UHFFFAOYSA-N 0 0 335.407 2.699 50 0 EFAARN Cc1nn(CC(=O)NCCOCc2ccc(Cl)cc2)c(C)c1C ZINC000216030269 240230840 /nfs/dbraw/zinc/23/08/40/240230840.db2.gz SKCWGXVEFYRRKX-UHFFFAOYSA-N 0 0 335.835 2.795 50 0 EFAARN COc1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)cc1C(=O)[O-] ZINC000216009432 240231180 /nfs/dbraw/zinc/23/11/80/240231180.db2.gz GXTHDYDPQCZDBO-UHFFFAOYSA-N 0 0 342.395 2.832 50 0 EFAARN O=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000000121877 201438287 /nfs/dbraw/zinc/43/82/87/201438287.db2.gz HMYAXCGPJAMZHQ-UHFFFAOYSA-N 0 0 340.810 2.838 50 0 EFAARN COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccccc4)nn32)c1 ZINC000263617327 240386489 /nfs/dbraw/zinc/38/64/89/240386489.db2.gz NEYCONHNZUGSNZ-IBGZPJMESA-N 0 0 348.406 2.591 50 0 EFAARN O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCc2ccccc21 ZINC000263617003 240389602 /nfs/dbraw/zinc/38/96/02/240389602.db2.gz LPEVVYLNHBRXFF-GOSISDBHSA-N 0 0 346.390 2.753 50 0 EFAARN CC[C@H](C)OC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000144617 201439697 /nfs/dbraw/zinc/43/96/97/201439697.db2.gz KJJCFGQWSZWPHI-QWRGUYRKSA-N 0 0 334.441 2.925 50 0 EFAARN COc1ccccc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000000138262 201438986 /nfs/dbraw/zinc/43/89/86/201438986.db2.gz HTPAIOROBFGVNB-MDZDMXLPSA-N 0 0 342.420 2.996 50 0 EFAARN COCc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 ZINC000000148489 201440751 /nfs/dbraw/zinc/44/07/51/201440751.db2.gz IHBNDHOXXFRWCX-UHFFFAOYSA-N 0 0 335.429 3.000 50 0 EFAARN CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc32)ccc1OC ZINC000000202238 201446951 /nfs/dbraw/zinc/44/69/51/201446951.db2.gz MFOXHRJJDNKHBJ-UHFFFAOYSA-N 0 0 337.379 2.958 50 0 EFAARN Cc1cc(C)n(C[C@@H](O)COc2ccccc2Br)n1 ZINC000000201605 201447543 /nfs/dbraw/zinc/44/75/43/201447543.db2.gz GLLBCWIEZIGBTF-GFCCVEGCSA-N 0 0 325.206 2.702 50 0 EFAARN CC1=NN(C(=O)COc2ccc(Cl)cc2C)[C@@](O)(C(F)F)C1 ZINC000000204602 201447841 /nfs/dbraw/zinc/44/78/41/201447841.db2.gz HQCHCQXSAWBMMB-AWEZNQCLSA-N 0 0 332.734 2.589 50 0 EFAARN O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000302372 283879750 /nfs/dbraw/zinc/87/97/50/283879750.db2.gz IBKROSLURNUKDB-SWLSCSKDSA-N 0 0 326.318 2.868 50 0 EFAARN C[C@]1(C(=O)NC2CCCC2)CC1(Br)Br ZINC000002295063 291360358 /nfs/dbraw/zinc/36/03/58/291360358.db2.gz ZRJYETNLTPGEEH-SECBINFHSA-N 0 0 325.044 2.941 50 0 EFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000195599698 241029353 /nfs/dbraw/zinc/02/93/53/241029353.db2.gz KZGUSOORCRPXRT-WWGRRREGSA-N 0 0 336.457 2.702 50 0 EFAARN CN1C[C@]2(CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)OC1=O ZINC000215345180 241120354 /nfs/dbraw/zinc/12/03/54/241120354.db2.gz XBVXQDUIENQADJ-IBGZPJMESA-N 0 0 341.411 2.544 50 0 EFAARN O=C(COc1ccccc1F)NC[C@H]1CCCN1c1ccccc1 ZINC000211116377 241079642 /nfs/dbraw/zinc/07/96/42/241079642.db2.gz MCQYOLUOZIGYLN-MRXNPFEDSA-N 0 0 328.387 2.990 50 0 EFAARN Cn1ccnc1CN1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000215334431 241120894 /nfs/dbraw/zinc/12/08/94/241120894.db2.gz HHWJEDDAZUMZED-QGZVFWFLSA-N 0 0 344.459 2.573 50 0 EFAARN O=C(COc1ccc(F)cc1)NCC[C@@H]1COc2ccccc2O1 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CCCc1ccc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000071765386 203110037 /nfs/dbraw/zinc/11/00/37/203110037.db2.gz GARLMESRKJODOC-ZDUSSCGKSA-N 0 0 337.363 2.591 50 0 EFAARN CC[C@@H](NC(=O)c1cccc(-n2cnnc2)n1)c1nc(C)c(C)s1 ZINC000071762372 203110585 /nfs/dbraw/zinc/11/05/85/203110585.db2.gz OFSUNXWLNHHYEK-GFCCVEGCSA-N 0 0 342.428 2.617 50 0 EFAARN COc1cccc(OC[C@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)c1 ZINC000071764316 203110732 /nfs/dbraw/zinc/11/07/32/203110732.db2.gz IFLVMMBUOXNENJ-AWEZNQCLSA-N 0 0 329.400 2.658 50 0 EFAARN O=c1[nH]c(CNc2nccc(CCC(F)(F)F)n2)nc2ccccc21 ZINC000071763723 203110900 /nfs/dbraw/zinc/11/09/00/203110900.db2.gz OUGOETZOUKYNQJ-UHFFFAOYSA-N 0 0 349.316 2.820 50 0 EFAARN C[C@@H](O)CNc1ccnc(C(=O)NCCc2ccccc2Cl)c1 ZINC000071764190 203110960 /nfs/dbraw/zinc/11/09/60/203110960.db2.gz NKHPOJZJMOXSQJ-GFCCVEGCSA-N 0 0 333.819 2.500 50 0 EFAARN Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[C@H](O)[C@@H](O)C1 ZINC000071764318 203111115 /nfs/dbraw/zinc/11/11/15/203111115.db2.gz DIDOUZARZQULFZ-OALUTQOASA-N 0 0 338.407 2.731 50 0 EFAARN O=C(NC(NC(=O)c1ccccc1)c1ccccn1)c1ccccc1 ZINC000071770089 203111324 /nfs/dbraw/zinc/11/13/24/203111324.db2.gz CRGQEPPOMKJAFF-UHFFFAOYSA-N 0 0 331.375 2.940 50 0 EFAARN C/C=C/Cc1nnc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000071775528 203111494 /nfs/dbraw/zinc/11/14/94/203111494.db2.gz GSJSXLWEWRRHQS-BAABZTOOSA-N 0 0 331.347 2.541 50 0 EFAARN Cc1cc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c(C)n1-c1cccnc1 ZINC000071823508 203120135 /nfs/dbraw/zinc/12/01/35/203120135.db2.gz OWTXOUZJIWMSFG-QZTJIDSGSA-N 0 0 325.412 2.883 50 0 EFAARN COc1cccc(OCC(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000020375649 212123269 /nfs/dbraw/zinc/12/32/69/212123269.db2.gz ULVHRFBQYHHEMR-UHFFFAOYSA-N 0 0 327.384 2.708 50 0 EFAARN Cc1c(O)cccc1C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000072147155 203170785 /nfs/dbraw/zinc/17/07/85/203170785.db2.gz NGHHBAZYXMSQGG-OAHLLOKOSA-N 0 0 330.428 2.612 50 0 EFAARN Cc1c(O)cccc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000072147156 203170815 /nfs/dbraw/zinc/17/08/15/203170815.db2.gz NGHHBAZYXMSQGG-HNNXBMFYSA-N 0 0 330.428 2.612 50 0 EFAARN Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)nc1C ZINC000072117756 203163720 /nfs/dbraw/zinc/16/37/20/203163720.db2.gz KUZNNWIFUVKUEB-UHFFFAOYSA-N 0 0 325.290 2.518 50 0 EFAARN Cc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)ncn1 ZINC000072117327 203163855 /nfs/dbraw/zinc/16/38/55/203163855.db2.gz CBIJZKATRDFRPM-UHFFFAOYSA-N 0 0 340.431 2.619 50 0 EFAARN Cc1ccnc(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1 ZINC000072122260 203164114 /nfs/dbraw/zinc/16/41/14/203164114.db2.gz ZUBCWWOMTDATKK-OAHLLOKOSA-N 0 0 330.819 2.694 50 0 EFAARN OCCOc1ccccc1CN1CC(Oc2ccccc2Cl)C1 ZINC000072128107 203164490 /nfs/dbraw/zinc/16/44/90/203164490.db2.gz GRYIKLDZDWFJCD-UHFFFAOYSA-N 0 0 333.815 2.974 50 0 EFAARN COc1ccc(-c2noc(Cn3c(CO)nc4ccccc43)n2)cc1 ZINC000072129099 203164755 /nfs/dbraw/zinc/16/47/55/203164755.db2.gz YPBANKZVPKOKBB-UHFFFAOYSA-N 0 0 336.351 2.636 50 0 EFAARN C[C@H](c1ccon1)N(C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 ZINC000072123956 203164999 /nfs/dbraw/zinc/16/49/99/203164999.db2.gz GKAZNRDCZHWGGY-VIIAAUOXSA-N 0 0 337.383 2.813 50 0 EFAARN Cc1ccccc1SCC(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072128185 203165089 /nfs/dbraw/zinc/16/50/89/203165089.db2.gz WIDVBEPGDXGTKH-KRWDZBQOSA-N 0 0 334.441 2.530 50 0 EFAARN O=C1C[C@H](Nc2ncnc3c2CCC3)CN1CCCc1ccccc1 ZINC000072133632 203166289 /nfs/dbraw/zinc/16/62/89/203166289.db2.gz HZPAOQNEUWTJNA-INIZCTEOSA-N 0 0 336.439 2.611 50 0 EFAARN CC(C)NC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072135293 203166482 /nfs/dbraw/zinc/16/64/82/203166482.db2.gz SJXXAPMCDTZDEO-KZNAEPCWSA-N 0 0 349.425 2.945 50 0 EFAARN CCOC(=O)CCNC(=O)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072135428 203166526 /nfs/dbraw/zinc/16/65/26/203166526.db2.gz DRARRNKGGLNCGF-CQSZACIVSA-N 0 0 348.378 2.502 50 0 EFAARN COCc1nc2c(cnn2C)c(N(C)CCSc2ccccc2)n1 ZINC000072133177 203166543 /nfs/dbraw/zinc/16/65/43/203166543.db2.gz SWZJKCLJVDKTJB-UHFFFAOYSA-N 0 0 343.456 2.738 50 0 EFAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1cncn1Cc1ccccc1 ZINC000072135163 203166721 /nfs/dbraw/zinc/16/67/21/203166721.db2.gz XXSQRTSRMZTKIY-FQEVSTJZSA-N 0 0 339.439 2.993 50 0 EFAARN CN1C[C@]2(CCCN(C(=O)Nc3ccc(Cl)nc3)CC2)OC1=O ZINC000072134701 203167137 /nfs/dbraw/zinc/16/71/37/203167137.db2.gz CSVPEQOTZURWND-OAHLLOKOSA-N 0 0 338.795 2.574 50 0 EFAARN O=C(NCc1cccc(F)c1)N1CCCC[C@@H]1CCN1CCCC1=O ZINC000072143045 203167498 /nfs/dbraw/zinc/16/74/98/203167498.db2.gz DZYRJVWSFYIRAE-QGZVFWFLSA-N 0 0 347.434 2.902 50 0 EFAARN CC(C)OCCCNc1nc(-c2ccncc2)nc2c1cnn2C ZINC000072140165 203167676 /nfs/dbraw/zinc/16/76/76/203167676.db2.gz OWRYFTUQABJBDV-UHFFFAOYSA-N 0 0 326.404 2.652 50 0 EFAARN O=C(NCc1cccc(F)c1)N1CCCC[C@H]1CCN1CCCC1=O ZINC000072143046 203168451 /nfs/dbraw/zinc/16/84/51/203168451.db2.gz DZYRJVWSFYIRAE-KRWDZBQOSA-N 0 0 347.434 2.902 50 0 EFAARN COCc1nc2c(cnn2C)c(N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000072138656 203168508 /nfs/dbraw/zinc/16/85/08/203168508.db2.gz KITWLZNUKDDAPB-KZULUSFZSA-N 0 0 329.448 2.915 50 0 EFAARN CN(CC1(CO)CC1)c1cc(-c2ccccc2F)nc2ccnn21 ZINC000072140244 203168593 /nfs/dbraw/zinc/16/85/93/203168593.db2.gz PSGYNVPKMRLYMC-UHFFFAOYSA-N 0 0 326.375 2.744 50 0 EFAARN CCc1nccn1CC(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072144422 203168940 /nfs/dbraw/zinc/16/89/40/203168940.db2.gz PFMWFQUJXRHIGF-MRXNPFEDSA-N 0 0 330.407 2.688 50 0 EFAARN COCc1ncc(CN2CCC(Oc3ccc(OC)cc3)CC2)cn1 ZINC000072144547 203169112 /nfs/dbraw/zinc/16/91/12/203169112.db2.gz JKFGUEZPAITTCV-UHFFFAOYSA-N 0 0 343.427 2.675 50 0 EFAARN O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1CCn2cncc2C1 ZINC000072144034 203169120 /nfs/dbraw/zinc/16/91/20/203169120.db2.gz LYEILTJRABVNIZ-HXUWFJFHSA-N 0 0 347.418 2.957 50 0 EFAARN CC(C)c1nnc(C[N@@H+]2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)o1 ZINC000072148642 203171012 /nfs/dbraw/zinc/17/10/12/203171012.db2.gz HYRWIQJCHKEKQV-AWEZNQCLSA-N 0 0 329.400 2.956 50 0 EFAARN O=C([C@@H](Cc1ccc(O)cc1)c1ccccc1)N1CCn2cncc2C1 ZINC000072144035 203169486 /nfs/dbraw/zinc/16/94/86/203169486.db2.gz LYEILTJRABVNIZ-FQEVSTJZSA-N 0 0 347.418 2.957 50 0 EFAARN O=C(c1cccc2ccnn21)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000072148828 203171159 /nfs/dbraw/zinc/17/11/59/203171159.db2.gz FGCWSYZRGLWWRC-QGZVFWFLSA-N 0 0 336.395 2.551 50 0 EFAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(OC)cc1 ZINC000072146618 203171180 /nfs/dbraw/zinc/17/11/80/203171180.db2.gz WUWDWCYMGHDKST-HNNXBMFYSA-N 0 0 334.416 2.713 50 0 EFAARN CCc1nc2c(cnn2C)c(NCCc2cc(OC)cc(OC)c2)n1 ZINC000072146951 203171636 /nfs/dbraw/zinc/17/16/36/203171636.db2.gz SPQSGEACJCMZCT-UHFFFAOYSA-N 0 0 341.415 2.598 50 0 EFAARN Cc1cc(C(F)(F)F)nc(N2CCN(Cc3ccncc3)CC2)n1 ZINC000072147543 203172101 /nfs/dbraw/zinc/17/21/01/203172101.db2.gz YNSNJHRWAIWNPJ-UHFFFAOYSA-N 0 0 337.349 2.521 50 0 EFAARN CC(C)(C)c1nc(CN2CCC[C@@]3(C2)c2ccccc2NC3=O)no1 ZINC000072146426 203172108 /nfs/dbraw/zinc/17/21/08/203172108.db2.gz JVBQVAPWOWCUFF-LJQANCHMSA-N 0 0 340.427 2.853 50 0 EFAARN C[C@@H](Cc1cccnc1)Nc1nc(-c2ccncc2)nc2c1cnn2C ZINC000072149923 203172444 /nfs/dbraw/zinc/17/24/44/203172444.db2.gz KIGBNCTWONESBL-ZDUSSCGKSA-N 0 0 345.410 2.863 50 0 EFAARN Nc1ncccc1C[NH+]1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072151960 203172570 /nfs/dbraw/zinc/17/25/70/203172570.db2.gz OYSRTHFQBVNIFL-UHFFFAOYSA-N 0 0 325.412 2.817 50 0 EFAARN CCCCSCc1cc(C(=O)N2CCC[C@@](O)(CO)C2)oc1C ZINC000072151752 203172579 /nfs/dbraw/zinc/17/25/79/203172579.db2.gz SYGGTMMVQAMFMI-KRWDZBQOSA-N 0 0 341.473 2.581 50 0 EFAARN CCCCc1nc(CN2CCN(Cc3ccccc3F)C(=O)C2)c[nH]1 ZINC000072152474 203172988 /nfs/dbraw/zinc/17/29/88/203172988.db2.gz ZOOAVSSEZYTZNZ-UHFFFAOYSA-N 0 0 344.434 2.736 50 0 EFAARN COc1ccc(N[C@@H]2CCCN(c3nccc(C)n3)C2)cc1OC ZINC000072156711 203174942 /nfs/dbraw/zinc/17/49/42/203174942.db2.gz GFNOJIXKURZILU-OAHLLOKOSA-N 0 0 328.416 2.883 50 0 EFAARN c1c(CN2CCC[C@H](OCc3cccnc3)C2)nnn1-c1ccccc1 ZINC000072154577 203175035 /nfs/dbraw/zinc/17/50/35/203175035.db2.gz RJNNAYGXZPGVBO-FQEVSTJZSA-N 0 0 349.438 2.844 50 0 EFAARN CCc1nc2c(cnn2C)c(N[C@@H](CO)Cc2ccc(Cl)cc2)n1 ZINC000072156838 203175250 /nfs/dbraw/zinc/17/52/50/203175250.db2.gz FHAQQTHOVGQERW-CYBMUJFWSA-N 0 0 345.834 2.595 50 0 EFAARN Cc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2=O)cc1 ZINC000072158869 203175480 /nfs/dbraw/zinc/17/54/80/203175480.db2.gz WCCWSBUZVHBHFO-UHFFFAOYSA-N 0 0 334.423 2.716 50 0 EFAARN COc1ccc(-n2ccnc2-c2ccc(-c3cc[nH]n3)o2)c(OC)n1 ZINC000072161294 203175544 /nfs/dbraw/zinc/17/55/44/203175544.db2.gz PJAYIXQMHSDMEP-UHFFFAOYSA-N 0 0 337.339 2.935 50 0 EFAARN Cc1cccnc1NCCNc1nc(C(C)C)nc2c1cnn2C ZINC000072157298 203176350 /nfs/dbraw/zinc/17/63/50/203176350.db2.gz AAJSDLMBSRWXMI-UHFFFAOYSA-N 0 0 325.420 2.714 50 0 EFAARN Cc1cc(C)cc(CSCC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)c1 ZINC000072159243 203176436 /nfs/dbraw/zinc/17/64/36/203176436.db2.gz PFOVAVWABDCNNB-SFHVURJKSA-N 0 0 348.468 2.590 50 0 EFAARN Cc1cc(C)cc(N2CCN(Cc3cccc4nonc43)CC2=O)c1 ZINC000072161985 203177109 /nfs/dbraw/zinc/17/71/09/203177109.db2.gz IVRGKOWRCXJACB-UHFFFAOYSA-N 0 0 336.395 2.688 50 0 EFAARN COCCNc1cc(-c2ccc3nc[nH]c(=O)c3c2)c2cc[nH]c2n1 ZINC000072162548 203177754 /nfs/dbraw/zinc/17/77/54/203177754.db2.gz PIGRHOHQLJVTAO-UHFFFAOYSA-N 0 0 335.367 2.525 50 0 EFAARN O=C(N1CCC[C@@](O)(CO)CC1)C1(c2ccccc2)CCCCC1 ZINC000072164492 203178327 /nfs/dbraw/zinc/17/83/27/203178327.db2.gz PLJONQWUWKNQMX-IBGZPJMESA-N 0 0 331.456 2.624 50 0 EFAARN CCN(CC)C(=O)CN1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000072162260 203178416 /nfs/dbraw/zinc/17/84/16/203178416.db2.gz WMUZGBYXWIKUPY-AWEZNQCLSA-N 0 0 325.403 2.710 50 0 EFAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072167563 203178925 /nfs/dbraw/zinc/17/89/25/203178925.db2.gz WCVDFGOMPFIYBK-IBGZPJMESA-N 0 0 341.411 2.842 50 0 EFAARN CN(C)c1ncc(CN(C)Cc2cc(-c3ccncc3)no2)s1 ZINC000072167586 203179339 /nfs/dbraw/zinc/17/93/39/203179339.db2.gz HVKIYUCYTUHXHZ-UHFFFAOYSA-N 0 0 329.429 2.891 50 0 EFAARN CN(Cc1cc[nH]n1)c1nc(CCc2ccccc2)nc2c1cnn2C ZINC000072166641 203179810 /nfs/dbraw/zinc/17/98/10/203179810.db2.gz FBOGAZUNTZLOEL-UHFFFAOYSA-N 0 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CCCC[C@@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn21)C(N)=O ZINC000072422204 203220314 /nfs/dbraw/zinc/22/03/14/203220314.db2.gz ZALHYSXAEJRPPP-CQSZACIVSA-N 0 0 341.390 2.991 50 0 EFAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ncc(F)cc1F ZINC000072422648 203220516 /nfs/dbraw/zinc/22/05/16/203220516.db2.gz SYAAURNVJYSQSY-UHFFFAOYSA-N 0 0 330.294 2.682 50 0 EFAARN Cc1cc2nc(-c3ccccc3)cc(NC[C@@](C)(O)CCCO)n2n1 ZINC000072423534 203220533 /nfs/dbraw/zinc/22/05/33/203220533.db2.gz LIRZAEXWQKTZHS-IBGZPJMESA-N 0 0 340.427 2.640 50 0 EFAARN O=C1CC[C@]2(CCCN(c3ccccn3)C2)CN1Cc1ccccn1 ZINC000072422582 203220572 /nfs/dbraw/zinc/22/05/72/203220572.db2.gz WNTYFBFHQHKGOZ-FQEVSTJZSA-N 0 0 336.439 2.886 50 0 EFAARN CCCn1nccc1C(=O)N1CCN(c2ccccc2OC)C[C@H]1C ZINC000072427107 203221060 /nfs/dbraw/zinc/22/10/60/203221060.db2.gz JUOFQENXXZCSCY-OAHLLOKOSA-N 0 0 342.443 2.653 50 0 EFAARN O=C(C[C@@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1 ZINC000072426877 203221081 /nfs/dbraw/zinc/22/10/81/203221081.db2.gz XSVIEOKVBJQKAT-CQSZACIVSA-N 0 0 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O=C(c1ccccc1O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077387584 296262225 /nfs/dbraw/zinc/26/22/25/296262225.db2.gz GGVZBLYXYGMHIB-FQEVSTJZSA-N 0 0 342.439 2.647 50 0 EFAARN COCCn1cc(CCCC(=O)Nc2ncc[nH]2)c2ccccc21 ZINC000170625690 206589693 /nfs/dbraw/zinc/58/96/93/206589693.db2.gz JGWWOIVKFPKHAT-UHFFFAOYSA-N 0 0 326.400 2.972 50 0 EFAARN O=C1N(C2CCCC2)CCC[C@]12CCN(c1noc(C3CC3)n1)C2 ZINC000091424849 218003402 /nfs/dbraw/zinc/00/34/02/218003402.db2.gz CABZGINMPUTAIU-GOSISDBHSA-N 0 0 330.432 2.709 50 0 EFAARN FC(F)(F)c1nccc(NCc2nncn2CCc2ccccc2)n1 ZINC000091426373 218003614 /nfs/dbraw/zinc/00/36/14/218003614.db2.gz ABNUGRUUZMDOPV-UHFFFAOYSA-N 0 0 348.332 2.942 50 0 EFAARN COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccn2C2CC2)C1 ZINC000091425728 218004461 /nfs/dbraw/zinc/00/44/61/218004461.db2.gz BLAQPCVATLMJHW-OAHLLOKOSA-N 0 0 342.443 2.686 50 0 EFAARN O=C(NCCc1csc(-c2cccnc2)n1)c1ccc2nccn2c1 ZINC000091434965 218004874 /nfs/dbraw/zinc/00/48/74/218004874.db2.gz PEXWXASRJOXPGE-UHFFFAOYSA-N 0 0 349.419 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ZINC000096096422 218590332 /nfs/dbraw/zinc/59/03/32/218590332.db2.gz CVGKTBULZRKCNY-QGZVFWFLSA-N 0 0 330.334 2.920 50 0 EFAARN Cc1ccc2nc(C)c(NC(=O)c3cccnc3Cl)c(=O)n2c1 ZINC000012180803 207068965 /nfs/dbraw/zinc/06/89/65/207068965.db2.gz JJGRVSWQFCREIQ-UHFFFAOYSA-N 0 0 328.759 2.612 50 0 EFAARN Cn1nc(CNC(=O)c2nc3ccccc3s2)c2c1CCCC2 ZINC000096099127 218592457 /nfs/dbraw/zinc/59/24/57/218592457.db2.gz FNOWXKKXLYUYGI-UHFFFAOYSA-N 0 0 326.425 2.839 50 0 EFAARN O=C(CCOc1ccccc1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000012128853 207073624 /nfs/dbraw/zinc/07/36/24/207073624.db2.gz YQXGYPFKOJBBHK-UHFFFAOYSA-N 0 0 327.359 2.830 50 0 EFAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCOC(C)(C)C3)ccc12 ZINC000096115530 218610396 /nfs/dbraw/zinc/61/03/96/218610396.db2.gz GZIJTWGFPRSRRZ-ZDUSSCGKSA-N 0 0 345.395 2.554 50 0 biogenic EFAARN COc1ccc(C(=O)Cn2nc(-c3ccco3)n(C3CC3)c2=O)cc1 ZINC000096119139 218611196 /nfs/dbraw/zinc/61/11/96/218611196.db2.gz OIOZYZYPMLGTGX-UHFFFAOYSA-N 0 0 339.351 2.531 50 0 EFAARN CCOC(=O)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 ZINC000012157509 207075016 /nfs/dbraw/zinc/07/50/16/207075016.db2.gz OIJGEACAAYQIAM-UHFFFAOYSA-N 0 0 336.457 2.861 50 0 EFAARN CC[C@@](CNC(=O)[C@H]1COc2ccccc2O1)(OC)c1ccccc1 ZINC000096123710 218614342 /nfs/dbraw/zinc/61/43/42/218614342.db2.gz GXTZBRDUYITYTL-QUCCMNQESA-N 0 0 341.407 2.895 50 0 EFAARN CO[C@@](C)(CNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1F ZINC000096123486 218614410 /nfs/dbraw/zinc/61/44/10/218614410.db2.gz RLICIBOHBLAYPP-HKUYNNGSSA-N 0 0 345.370 2.644 50 0 EFAARN O=C(CCCc1cn[nH]c1)N1CCC(OCc2ccccc2)CC1 ZINC000096133091 218617941 /nfs/dbraw/zinc/61/79/41/218617941.db2.gz QHAFOOIHJSZDJO-UHFFFAOYSA-N 0 0 327.428 2.940 50 0 EFAARN CSCCc1nc(CCN2CCCC2=O)n(C2CCCCC2)n1 ZINC000096132312 218618102 /nfs/dbraw/zinc/61/81/02/218618102.db2.gz DJSYVIURITZJPA-UHFFFAOYSA-N 0 0 336.505 2.854 50 0 EFAARN CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1 ZINC000012444219 207146259 /nfs/dbraw/zinc/14/62/59/207146259.db2.gz MNCXLYZONCHONY-UHFFFAOYSA-N 0 0 326.381 2.999 50 0 EFAARN COc1ccccc1[C@H](CNS(=O)(=O)c1cccc(F)c1)OC ZINC000096384866 218747557 /nfs/dbraw/zinc/74/75/57/218747557.db2.gz RWOAIOVNLASTOO-INIZCTEOSA-N 0 0 339.388 2.500 50 0 EFAARN CCOC(=O)N=c1[nH]c(CC(=O)Nc2cccc(OC)c2)cs1 ZINC000012881466 207256244 /nfs/dbraw/zinc/25/62/44/207256244.db2.gz NPBKGIUTFTZWLA-UHFFFAOYSA-N 0 0 335.385 2.901 50 0 EFAARN Cc1cc(C(F)(F)F)n2ncc(S(=O)(=O)c3ccccc3)c2n1 ZINC000001393560 291788181 /nfs/dbraw/zinc/78/81/81/291788181.db2.gz UYJPWNFQZVFFMU-UHFFFAOYSA-N 0 0 341.314 2.889 50 0 EFAARN O=C(Cc1c[nH]c2ccccc12)NCc1nccc(N2CCCCC2)n1 ZINC000207977350 207451986 /nfs/dbraw/zinc/45/19/86/207451986.db2.gz WGASHLKMZSFUGH-UHFFFAOYSA-N 0 0 349.438 2.807 50 0 EFAARN Cc1cc2ncc(CCCNC(=O)c3ccc(F)c(F)c3)cn2n1 ZINC000207994369 207453042 /nfs/dbraw/zinc/45/30/42/207453042.db2.gz LCYGZXIBZWCIBG-UHFFFAOYSA-N 0 0 330.338 2.679 50 0 EFAARN CCn1nnc2c1ncnc2SCc1cc(OC)cc(OC)c1 ZINC000013532343 207462267 /nfs/dbraw/zinc/46/22/67/207462267.db2.gz MRKFJVSYTAIPFZ-UHFFFAOYSA-N 0 0 331.401 2.551 50 0 EFAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CCc2ccccc21 ZINC000013808012 207536713 /nfs/dbraw/zinc/53/67/13/207536713.db2.gz GKHWTTJRJHPHAL-UHFFFAOYSA-N 0 0 349.365 2.639 50 0 EFAARN Cc1ccc(-c2cc(=O)n(CC(=O)NCc3cccs3)cn2)cc1 ZINC000013806693 207537412 /nfs/dbraw/zinc/53/74/12/207537412.db2.gz ZYBAEQMTMREROU-UHFFFAOYSA-N 0 0 339.420 2.597 50 0 EFAARN O=C1C[C@@H](c2ccc(-n3ccnc3)cc2)c2c(nc3sccn32)CN1 ZINC000065504876 296344213 /nfs/dbraw/zinc/34/42/13/296344213.db2.gz FTYDCJZCUJXZQF-AWEZNQCLSA-N 0 0 349.419 2.733 50 0 EFAARN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(=O)n3ccccc3nc2O1 ZINC000096230837 296344311 /nfs/dbraw/zinc/34/43/11/296344311.db2.gz CZWGCLWDBILPFK-VIFPVBQESA-N 0 0 346.264 2.553 50 0 EFAARN O=C1C[C@H](c2ccc(F)c(Cl)c2)c2c(=O)n3ccccc3nc2O1 ZINC000096224094 296349306 /nfs/dbraw/zinc/34/93/06/296349306.db2.gz IBNLBDISCGKWCV-SNVBAGLBSA-N 0 0 344.729 2.928 50 0 EFAARN O=C1C[C@H](c2ccc(-c3cc[nH]n3)o2)c2c(n[nH]c2-c2ccccn2)N1 ZINC000067847501 296349343 /nfs/dbraw/zinc/34/93/43/296349343.db2.gz XPJCTVVSLZPSLU-SNVBAGLBSA-N 0 0 346.350 2.929 50 0 EFAARN C[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)C1 ZINC000057355151 296377369 /nfs/dbraw/zinc/37/73/69/296377369.db2.gz WKNIWFPYXISUEE-QIIPPGSGSA-N 0 0 332.419 2.994 50 0 EFAARN CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000004938083 210329514 /nfs/dbraw/zinc/32/95/14/210329514.db2.gz BTHGNNQQTHSXHL-UHFFFAOYSA-N 0 0 336.800 2.660 50 0 EFAARN O=S(=O)(NCc1ccncc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000004937394 210329170 /nfs/dbraw/zinc/32/91/70/210329170.db2.gz HSRVIEKEKRUVSU-UHFFFAOYSA-N 0 0 334.294 2.718 50 0 EFAARN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000097527203 219033411 /nfs/dbraw/zinc/03/34/11/219033411.db2.gz HJLJXRSDGHPSSQ-GFCCVEGCSA-N 0 0 338.415 2.655 50 0 EFAARN Cc1cc(C=O)cc2cc(S(=O)(=O)c3ccccc3)c(=O)oc12 ZINC000085346479 291882155 /nfs/dbraw/zinc/88/21/55/291882155.db2.gz ZUIVHRVLNDPDJV-UHFFFAOYSA-N 0 0 328.345 2.747 50 0 EFAARN CCN1C=C(C(=O)OC)C(c2ccccc2Cl)C(C(=O)OC)=C1 ZINC000000036516 285179541 /nfs/dbraw/zinc/17/95/41/285179541.db2.gz KGLGDIYPICFMOH-UHFFFAOYSA-N 0 0 335.787 2.873 50 0 EFAARN O=C([O-])c1cccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000095528437 304261407 /nfs/dbraw/zinc/26/14/07/304261407.db2.gz NOQVQWRXWNEAFE-UHFFFAOYSA-N 0 0 329.375 2.631 50 0 EFAARN O=C([O-])c1cccc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000095391733 304261877 /nfs/dbraw/zinc/26/18/77/304261877.db2.gz AMGUAIRHDMJSGR-UHFFFAOYSA-N 0 0 341.455 2.871 50 0 EFAARN O=c1c(Br)c(Br)cnn1-c1ccccc1 ZINC000000147973 285205584 /nfs/dbraw/zinc/20/55/84/285205584.db2.gz NQJXEMRMTOSSBQ-UHFFFAOYSA-N 0 0 329.979 2.758 50 0 EFAARN Cn1nc2c(c1NC(=O)CC1(n3cccc3)CCOCC1)CSC2 ZINC000263587937 257841952 /nfs/dbraw/zinc/84/19/52/257841952.db2.gz NFEPKIVSSMLLNZ-UHFFFAOYSA-N 0 0 346.456 2.503 50 0 EFAARN COc1cc2c(cc1OC)[C@H](NC(=O)c1cc(C(C)C)n[nH]1)CC2 ZINC000524732973 257842880 /nfs/dbraw/zinc/84/28/80/257842880.db2.gz HMFDLNPRZYIHCY-CYBMUJFWSA-N 0 0 329.400 2.968 50 0 EFAARN COc1c[nH]c(C(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)cc1=O ZINC000524729645 257843571 /nfs/dbraw/zinc/84/35/71/257843571.db2.gz BULBHUXSOLNHPZ-CQSZACIVSA-N 0 0 337.379 2.672 50 0 biogenic EFAARN Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)OCCO)cc1 ZINC000096337658 257848280 /nfs/dbraw/zinc/84/82/80/257848280.db2.gz YXUIQNBTDCTSGT-LJQANCHMSA-N 0 0 343.423 2.549 50 0 EFAARN CCc1ccc(C(=O)NCCNc2ccc(-n3cccc3)nn2)cc1 ZINC000085472050 257848977 /nfs/dbraw/zinc/84/89/77/257848977.db2.gz WQAGKCNXAIBORS-UHFFFAOYSA-N 0 0 335.411 2.672 50 0 EFAARN O=C(NCCc1cn[nH]c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000291002610 257950405 /nfs/dbraw/zinc/95/04/05/257950405.db2.gz YWGAYIQLPAKBHD-UHFFFAOYSA-N 0 0 330.407 2.756 50 0 EFAARN C[C@H](O)c1nc2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)ccc2[nH]1 ZINC000426684354 257958560 /nfs/dbraw/zinc/95/85/60/257958560.db2.gz CZBSVKQBRKOHEA-NSHDSACASA-N 0 0 345.424 2.534 50 0 EFAARN COc1ccc(F)c(CN2CCN(c3ccccc3OC)C(=O)C2)c1 ZINC000426668398 257959354 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O=C([C@@H]1CCCCC12OCCO2)N1CCO[C@H](c2ccccc2)C1 ZINC000334160462 258016758 /nfs/dbraw/zinc/01/67/58/258016758.db2.gz FDNIQBQHPFKADZ-IRXDYDNUSA-N 0 0 331.412 2.520 50 0 EFAARN Cc1ccc(C(=O)NCC2CCN(C(=O)C3CC3)CC2)n1C(F)F ZINC000299771650 258083980 /nfs/dbraw/zinc/08/39/80/258083980.db2.gz VKLVFKYIMLSYJP-UHFFFAOYSA-N 0 0 339.386 2.570 50 0 EFAARN COc1ccccc1Cn1nccc1NC(=O)N1CCSCC1 ZINC000299772924 258084724 /nfs/dbraw/zinc/08/47/24/258084724.db2.gz BHEZIQOHZMCKGO-UHFFFAOYSA-N 0 0 332.429 2.521 50 0 EFAARN O=C(COCC(F)(F)C(F)F)NCc1cc(-c2ccccc2)no1 ZINC000299772498 258084734 /nfs/dbraw/zinc/08/47/34/258084734.db2.gz ZXCYSYDVJKOWRO-UHFFFAOYSA-N 0 0 346.280 2.875 50 0 EFAARN CO[C@]12CCN(C(=O)COc3c(C)ccc(C)c3C)[C@H]1C[C@@H](O)CC2 ZINC000299772541 258084784 /nfs/dbraw/zinc/08/47/84/258084784.db2.gz AWQWNOHZZFMAIN-ABSDTBQOSA-N 0 0 347.455 2.522 50 0 EFAARN O=C(NCC[C@@H]1CCOC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000299773047 258084932 /nfs/dbraw/zinc/08/49/32/258084932.db2.gz CMZYSISXDMWURH-GFCCVEGCSA-N 0 0 327.384 2.770 50 0 EFAARN C[C@H]1CNC(=O)CCN1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299773477 258085377 /nfs/dbraw/zinc/08/53/77/258085377.db2.gz CGLSDNNUDUDVIO-JTQLQIEISA-N 0 0 332.791 2.631 50 0 EFAARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)NCCc1nc(C)cc(C)n1 ZINC000299773341 258085437 /nfs/dbraw/zinc/08/54/37/258085437.db2.gz FCIICPFMPXCTIV-AWEZNQCLSA-N 0 0 342.447 2.934 50 0 EFAARN CC(C)c1cc(CN(C)C(=O)[C@@H](Cc2c[nH]cn2)n2cccc2)on1 ZINC000299773130 258085557 /nfs/dbraw/zinc/08/55/57/258085557.db2.gz AYFLNOLIRZSUKP-QGZVFWFLSA-N 0 0 341.415 2.765 50 0 EFAARN O=C(CCSCc1ccccc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000299775044 258085849 /nfs/dbraw/zinc/08/58/49/258085849.db2.gz KNGYHTMXLMFDDB-UHFFFAOYSA-N 0 0 346.496 2.923 50 0 EFAARN CCC(=O)Nc1cc(NC(=O)NCC2(O)CCCCC2)ccc1OC ZINC000299776499 258086514 /nfs/dbraw/zinc/08/65/14/258086514.db2.gz CHSBIXCNLYMLNT-UHFFFAOYSA-N 0 0 349.431 2.860 50 0 EFAARN CCc1ccccc1OC1CN(Cc2cc(=O)n3ccccc3n2)C1 ZINC000299775958 258086533 /nfs/dbraw/zinc/08/65/33/258086533.db2.gz 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CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3c(C)nc4sccn43)[C@H]2C1 ZINC000299781093 258090000 /nfs/dbraw/zinc/09/00/00/258090000.db2.gz QVDNEWMSTBDKTQ-GDZNZVCISA-N 0 0 349.456 2.503 50 0 EFAARN Cc1csc(CCCNC(=O)[C@@H](c2cccnc2)N2CCCC2)n1 ZINC000299781184 258090139 /nfs/dbraw/zinc/09/01/39/258090139.db2.gz OFCDZCAXWFJLOV-QGZVFWFLSA-N 0 0 344.484 2.732 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc4cc[nH]c4c3)[C@H]2C1 ZINC000299781357 258090287 /nfs/dbraw/zinc/09/02/87/258090287.db2.gz OLKSPARDYXKRST-HHXXYDBFSA-N 0 0 328.412 2.967 50 0 EFAARN O=C(Cc1ccc(F)cc1F)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000299782297 258090595 /nfs/dbraw/zinc/09/05/95/258090595.db2.gz SPPGKIAEZWSJEO-QGZVFWFLSA-N 0 0 345.393 2.683 50 0 EFAARN CC(=O)c1cccc(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000299782564 258090605 /nfs/dbraw/zinc/09/06/05/258090605.db2.gz MWZGOTBLVQLOSL-UHFFFAOYSA-N 0 0 342.439 2.800 50 0 EFAARN CCCc1nc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)cs1 ZINC000299783182 258091235 /nfs/dbraw/zinc/09/12/35/258091235.db2.gz KEFIVNGTZQWIFW-KRWDZBQOSA-N 0 0 344.484 2.944 50 0 EFAARN Cc1nc(-c2cccc(C(=O)N(C)Cc3ccncc3C)c2)nn1C ZINC000299783149 258091330 /nfs/dbraw/zinc/09/13/30/258091330.db2.gz FEXWXMVVWWBKIE-UHFFFAOYSA-N 0 0 335.411 2.766 50 0 EFAARN CC(C)(C)c1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299785486 258092621 /nfs/dbraw/zinc/09/26/21/258092621.db2.gz SAFMXTGQLWIDEK-IRXDYDNUSA-N 0 0 340.427 2.562 50 0 EFAARN CCC(CC)n1ncc(C)c1NC(=O)N[C@@H](C)c1nnc(N)s1 ZINC000299788314 258095152 /nfs/dbraw/zinc/09/51/52/258095152.db2.gz RSEKCOJHIAHKTE-VIFPVBQESA-N 0 0 337.453 2.869 50 0 EFAARN CCCO[C@H]1CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)C1 ZINC000299789016 258095216 /nfs/dbraw/zinc/09/52/16/258095216.db2.gz WFJYENOIPYLWLJ-AWEZNQCLSA-N 0 0 349.406 2.636 50 0 EFAARN CO[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000299789938 258095796 /nfs/dbraw/zinc/09/57/96/258095796.db2.gz AEYLLGCDFCPPMF-GFCCVEGCSA-N 0 0 335.795 2.563 50 0 EFAARN CC(=O)N(Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccn1 ZINC000299791940 258097354 /nfs/dbraw/zinc/09/73/54/258097354.db2.gz HDRZGMOBTHXFNF-LJQANCHMSA-N 0 0 326.396 2.798 50 0 EFAARN COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)cc1F ZINC000299791657 258097445 /nfs/dbraw/zinc/09/74/45/258097445.db2.gz HHGQMDSKODUUFF-QANKJYHBSA-N 0 0 337.391 2.633 50 0 EFAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 ZINC000299792030 258097542 /nfs/dbraw/zinc/09/75/42/258097542.db2.gz DZBBTHSZEXEGRV-INIZCTEOSA-N 0 0 349.866 2.903 50 0 EFAARN CCc1nccn1CC1(CNc2cc([C@@H]3CCOC3)ncn2)CC1 ZINC000299792808 258098244 /nfs/dbraw/zinc/09/82/44/258098244.db2.gz FUSSWWAOILDBDP-CQSZACIVSA-N 0 0 327.432 2.632 50 0 EFAARN Cn1nc2c(c1C(=O)NCc1nc(C3CCCCC3)no1)CCCC2 ZINC000299793908 258098945 /nfs/dbraw/zinc/09/89/45/258098945.db2.gz JEZJAQXHRMHHRU-UHFFFAOYSA-N 0 0 343.431 2.660 50 0 EFAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cc(C(C)(C)C)n[nH]1 ZINC000299794430 258099445 /nfs/dbraw/zinc/09/94/45/258099445.db2.gz KJQDTOQNBCJKKN-LLVKDONJSA-N 0 0 345.399 2.520 50 0 EFAARN C[C@@H]1CNC(=O)CCN1C(=O)c1cccc(-c2ccc(Cl)cn2)c1 ZINC000299794977 258099619 /nfs/dbraw/zinc/09/96/19/258099619.db2.gz LOAAXDKWEWJCLC-GFCCVEGCSA-N 0 0 343.814 2.753 50 0 EFAARN CCCc1nc(CNC(=O)C[C@H]2NC(=O)c3ccccc32)cs1 ZINC000299795395 258099653 /nfs/dbraw/zinc/09/96/53/258099653.db2.gz MNLKZIUTIFYHNI-CQSZACIVSA-N 0 0 329.425 2.587 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc4c3NCCC4)[C@H]2C1 ZINC000299796668 258100922 /nfs/dbraw/zinc/10/09/22/258100922.db2.gz NYLJOAYMTJBYST-OXFYSEKESA-N 0 0 344.455 2.843 50 0 EFAARN CO[C@]12CC[N@H+](Cc3ccccc3C)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299796468 258101047 /nfs/dbraw/zinc/10/10/47/258101047.db2.gz NLEIUYXIPNYWOQ-ZIFCJYIRSA-N 0 0 333.428 2.608 50 0 EFAARN Cc1n[nH]c(C)c1CC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000299797196 258101144 /nfs/dbraw/zinc/10/11/44/258101144.db2.gz QINWEFNRHKLSIM-UHFFFAOYSA-N 0 0 345.834 2.848 50 0 EFAARN Cc1nccn1[C@H](C)CC(=O)NCCc1noc(C2CCCC2)n1 ZINC000299797453 258101786 /nfs/dbraw/zinc/10/17/86/258101786.db2.gz RMHAWFRMZCLZAH-GFCCVEGCSA-N 0 0 331.420 2.542 50 0 EFAARN Cc1nnnn1-c1cccc(C(=O)NCCSC2CCCCC2)c1 ZINC000299798574 258102434 /nfs/dbraw/zinc/10/24/34/258102434.db2.gz SZBDLCXJLUFKKF-UHFFFAOYSA-N 0 0 345.472 2.766 50 0 EFAARN Cc1csc(SCC(=O)N[C@@H](C)c2nnc(C(C)C)o2)n1 ZINC000299798990 258102845 /nfs/dbraw/zinc/10/28/45/258102845.db2.gz UBWRELAJZUPWSZ-VIFPVBQESA-N 0 0 326.447 2.927 50 0 EFAARN CO[C@]12CCN(C(=O)C3(c4ccc(C)cc4)CC3)[C@H]1C[C@H](O)CC2 ZINC000299800022 258103843 /nfs/dbraw/zinc/10/38/43/258103843.db2.gz UOIPIXDIFAVEIP-FUHIMQAGSA-N 0 0 329.440 2.558 50 0 EFAARN CN1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2 ZINC000299800775 258104074 /nfs/dbraw/zinc/10/40/74/258104074.db2.gz VNWMMUCXYHCWGF-LJQANCHMSA-N 0 0 336.435 2.685 50 0 EFAARN CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(SC)cc1)C2 ZINC000299801403 258104336 /nfs/dbraw/zinc/10/43/36/258104336.db2.gz YCFOEDZXMNNIRZ-UHFFFAOYSA-N 0 0 344.484 2.647 50 0 EFAARN COc1ccc(NC(=O)N(C)Cc2cc(C)no2)cc1NC(C)=O ZINC000299802848 258105190 /nfs/dbraw/zinc/10/51/90/258105190.db2.gz XBTSWERBOGHOII-UHFFFAOYSA-N 0 0 332.360 2.614 50 0 EFAARN CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000000455981 258048318 /nfs/dbraw/zinc/04/83/18/258048318.db2.gz AGTIDFLFFHSCNI-MDZDMXLPSA-N 0 0 344.392 2.983 50 0 EFAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1F ZINC000003436684 258050668 /nfs/dbraw/zinc/05/06/68/258050668.db2.gz AUSWENHVMIHUDO-UHFFFAOYSA-N 0 0 331.299 2.658 50 0 EFAARN CN1C(=O)C(=Cc2cccc(OC(F)(F)C(F)F)c2)NC1=S ZINC000006490409 258051988 /nfs/dbraw/zinc/05/19/88/258051988.db2.gz BKFNPDKHCWILJC-TWGQIWQCSA-N 0 0 334.294 2.611 50 0 EFAARN CCc1ccc(O[C@H](C)C(=O)N2NC(C)=C[C@@]2(O)C(F)(F)F)cc1 ZINC000006489939 258052017 /nfs/dbraw/zinc/05/20/17/258052017.db2.gz YZLPVYOOVWGIKX-IAQYHMDHSA-N 0 0 344.333 2.875 50 0 EFAARN Cc1cnc(CNC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)cn1 ZINC000096165193 258067704 /nfs/dbraw/zinc/06/77/04/258067704.db2.gz HDAUMCHIAGODJS-ZDUSSCGKSA-N 0 0 339.399 2.622 50 0 EFAARN Cc1cc([C@H]2CCCN2C(=O)c2cccc(-c3cc(N)ncn3)c2)no1 ZINC000299756053 258074255 /nfs/dbraw/zinc/07/42/55/258074255.db2.gz AXAQUYNZDBRRKF-QGZVFWFLSA-N 0 0 349.394 3.000 50 0 EFAARN CNc1ncc(CN(C)C(=O)Nc2ccnn2[C@H](C)C(C)C)cn1 ZINC000299757810 258075611 /nfs/dbraw/zinc/07/56/11/258075611.db2.gz JTDQKMGRNNRDKQ-GFCCVEGCSA-N 0 0 331.424 2.596 50 0 EFAARN CN(CC(=O)NCc1ccc2c(c1)CC(C)(C)O2)Cc1ccccn1 ZINC000299758359 258075848 /nfs/dbraw/zinc/07/58/48/258075848.db2.gz LZDFFSNOWQEGMI-UHFFFAOYSA-N 0 0 339.439 2.543 50 0 EFAARN Cn1cnc(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000299758529 258076146 /nfs/dbraw/zinc/07/61/46/258076146.db2.gz MJKHGWRWIYFLEK-OAHLLOKOSA-N 0 0 327.363 2.803 50 0 EFAARN CCc1nn(C)c(NC(=O)NC[C@H]2CCOC2)c1-c1ccc(F)cc1 ZINC000299759958 258077024 /nfs/dbraw/zinc/07/70/24/258077024.db2.gz RFVUSMNPIYQPKT-GFCCVEGCSA-N 0 0 346.406 2.947 50 0 EFAARN CCCn1ncnc1[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000299761082 258077849 /nfs/dbraw/zinc/07/78/49/258077849.db2.gz 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/nfs/dbraw/zinc/65/31/65/135653165.db2.gz HKPBHHZMOSWHQU-UHFFFAOYSA-N 0 0 331.460 2.976 50 0 EFAARN COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCOCC2)c1 ZINC000003560455 135660755 /nfs/dbraw/zinc/66/07/55/135660755.db2.gz ZXZPAEXGGOSMBG-UHFFFAOYSA-N 0 0 342.395 2.793 50 0 EFAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ncccn2)CC1 ZINC000006342926 135674146 /nfs/dbraw/zinc/67/41/46/135674146.db2.gz BXZNFICTSBOJNP-UHFFFAOYSA-N 0 0 337.210 2.746 50 0 EFAARN O=C(COc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000013331556 135700479 /nfs/dbraw/zinc/70/04/79/135700479.db2.gz NSALAEDYDBFOPZ-UHFFFAOYSA-N 0 0 332.350 2.692 50 0 EFAARN C[C@@H]1CN(c2nc3c(cnn3C)c(Nc3ccccc3)n2)C[C@H](C)O1 ZINC000021873372 135725316 /nfs/dbraw/zinc/72/53/16/135725316.db2.gz KWRJCXMSVMOTRB-BETUJISGSA-N 0 0 338.415 2.721 50 0 EFAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCCO)CO3 ZINC000057111119 296530281 /nfs/dbraw/zinc/53/02/81/296530281.db2.gz PQYHPZXWYQGHEZ-UHFFFAOYSA-N 0 0 337.375 2.994 50 0 biogenic EFAARN COC(C)(C)[C@]12C[C@](O)(c3ccccc3)ON1[C@H]1CCCC[C@H]1N2O ZINC000004863238 292078443 /nfs/dbraw/zinc/07/84/43/292078443.db2.gz ZQPPYACZMBGYHZ-JFRXWTBNSA-N 0 0 348.443 2.606 50 0 EFAARN Cc1ccc(N2C(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000004142169 292127246 /nfs/dbraw/zinc/12/72/46/292127246.db2.gz KCAUCQNOPXUCJP-IAGOWNOFSA-N 0 0 342.420 2.607 50 0 EFAARN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000004694368 285930700 /nfs/dbraw/zinc/93/07/00/285930700.db2.gz IMYUKMSLJMOROH-SNPRPXQTSA-N 0 0 332.396 2.945 50 0 EFAARN Oc1ccc(I)c(I)c1 ZINC000085223837 296591686 /nfs/dbraw/zinc/59/16/86/296591686.db2.gz PDXQVNYRCQKLRZ-UHFFFAOYSA-N 0 0 345.905 2.601 50 0 EFAARN Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CP3c2ccccc2)cc1 ZINC000098042891 292179768 /nfs/dbraw/zinc/17/97/68/292179768.db2.gz BWXYDSDVFPJTFY-TWMUNHRGSA-N 0 0 345.404 2.948 50 0 EFAARN O=C(CCc1ccncc1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000369104260 150276544 /nfs/dbraw/zinc/27/65/44/150276544.db2.gz 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/nfs/dbraw/zinc/36/60/54/286366054.db2.gz NLXCKNGJJCILBJ-QRVBRYPASA-N 0 0 345.395 2.644 50 0 biogenic EFAARN Cc1ccc2c(C)cc(N3C[C@@H]4C[C@H](O)[C@@H](O)C[C@@H]4C3)nc2c1C ZINC000071745462 292302397 /nfs/dbraw/zinc/30/23/97/292302397.db2.gz ZNCIIWJNQIGSGZ-MVJTYMMSSA-N 0 0 326.440 2.728 50 0 EFAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000013745545 299769459 /nfs/dbraw/zinc/76/94/59/299769459.db2.gz AJQRXCHMQOCLTN-ZDUSSCGKSA-N 0 0 336.457 2.988 50 0 EFAARN COc1ccccc1[C@H]1CNC(=O)c2[nH]c(-c3ccccn3)nc2C1 ZINC000065393902 286517693 /nfs/dbraw/zinc/51/76/93/286517693.db2.gz QFOMOYXKWSSTBF-GFCCVEGCSA-N 0 0 334.379 2.550 50 0 EFAARN CCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(C)C ZINC000004851344 286554687 /nfs/dbraw/zinc/55/46/87/286554687.db2.gz OUPGTFIFICTYRF-UHFFFAOYSA-N 0 0 327.446 2.538 50 0 EFAARN Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)n3C)c(=O)n2c1 ZINC000012421572 292393658 /nfs/dbraw/zinc/39/36/58/292393658.db2.gz SQOQBGGLRBZVCA-UHFFFAOYSA-N 0 0 338.411 2.557 50 0 EFAARN CC[C@@H](C)N1CC(=O)N2CCc3c4cc(F)ccc4[nH]c3[C@@]2(C)C1=O ZINC000004073238 286778207 /nfs/dbraw/zinc/77/82/07/286778207.db2.gz HFUZMWTXWYCCPD-WYRIXSBYSA-N 0 0 343.402 2.548 50 0 biogenic EFAARN Cc1cccc(N2C(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000001252328 292455388 /nfs/dbraw/zinc/45/53/88/292455388.db2.gz JXSMRCQMGAHTQX-SJORKVTESA-N 0 0 342.420 2.607 50 0 EFAARN COCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1c(F)cccc1Cl ZINC000004198897 292565080 /nfs/dbraw/zinc/56/50/80/292565080.db2.gz YBPXPSICTROIJY-SNVBAGLBSA-N 0 0 341.766 2.546 50 0 EFAARN COc1ccc(OCC(=O)NC(=S)Nc2ccccc2F)cc1 ZINC000001000709 544420067 /nfs/dbraw/zinc/42/00/67/544420067.db2.gz LNZCJNUEANFGNY-UHFFFAOYSA-N 0 0 334.372 2.726 50 0 EFAARN CCOC(=O)C1=C(C(=O)OCC)CC2=C(CC(C#N)=C(C#N)C2)C1 ZINC000043198991 544444778 /nfs/dbraw/zinc/44/47/78/544444778.db2.gz RCGHBBJXPGXUMB-UHFFFAOYSA-N 0 0 326.352 2.637 50 0 EFAARN COCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000092038107 544540316 /nfs/dbraw/zinc/54/03/16/544540316.db2.gz KQHBOGSOTWBHKZ-HNNXBMFYSA-N 0 0 346.349 2.804 50 0 EFAARN CC(=O)N[C@H]1c2cccc(C)c2N(CCOc2ccccc2C)C1=O ZINC000100485549 544560603 /nfs/dbraw/zinc/56/06/03/544560603.db2.gz QVIFSGRHPFMTIB-SFHVURJKSA-N 0 0 338.407 2.906 50 0 EFAARN O=C(Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 ZINC000116261728 544572490 /nfs/dbraw/zinc/57/24/90/544572490.db2.gz KOJSFUVXFASZQY-UHFFFAOYSA-N 0 0 326.348 2.583 50 0 EFAARN C[C@@H](C(=O)Nc1n[nH]c2c1cccc2Cl)n1nnnc1C(C)(C)C ZINC000272252538 266205139 /nfs/dbraw/zinc/20/51/39/266205139.db2.gz PEIYHBPDNDZIOR-QMMMGPOBSA-N 0 0 347.810 2.700 50 0 EFAARN COc1coc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1=O ZINC000281333494 273424713 /nfs/dbraw/zinc/42/47/13/273424713.db2.gz UDYYVUOYEWAVJK-ZDUSSCGKSA-N 0 0 339.351 2.502 50 0 EFAARN CC(C)c1ccoc1C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000284007012 273785668 /nfs/dbraw/zinc/78/56/68/273785668.db2.gz PRMMOWCDECJOTQ-UONOGXRCSA-N 0 0 327.446 2.831 50 0 EFAARN CSc1nc2ncc3c(ccn(-c4ccc(C)c(C)c4)c3=O)n2n1 ZINC000030875319 274189579 /nfs/dbraw/zinc/18/95/79/274189579.db2.gz SNMNMBZTULXYKY-UHFFFAOYSA-N 0 0 337.408 2.767 50 0 EFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000006018326 274453215 /nfs/dbraw/zinc/45/32/15/274453215.db2.gz FCBIKCZIAHKSLY-GMBSWORKSA-N 0 0 340.354 2.793 50 0 EFAARN Cc1cc(OCc2nc3c4cnn(C)c4ncn3n2)cc(C)c1Cl ZINC000002800723 274721403 /nfs/dbraw/zinc/72/14/03/274721403.db2.gz AFTWWSFEIZBOOT-UHFFFAOYSA-N 0 0 342.790 2.860 50 0 EFAARN O=C1NC[C@H](c2ccccc2)Cc2nc(-c3cnc4ccccn43)[nH]c21 ZINC000065399406 275024259 /nfs/dbraw/zinc/02/42/59/275024259.db2.gz QVGXUGJZJLFFDD-CQSZACIVSA-N 0 0 343.390 2.794 50 0 EFAARN O=C1Nc2ccc(Cl)cc2[C@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000004870348 275024813 /nfs/dbraw/zinc/02/48/13/275024813.db2.gz BLVJEXZXEYKDSX-SCLBCKFNSA-N 0 0 327.767 2.925 50 0 EFAARN O=c1c2ccccc2ncn1-c1ccc(I)cc1 ZINC000004866587 275043200 /nfs/dbraw/zinc/04/32/00/275043200.db2.gz GPOAMJVYGCEACC-UHFFFAOYSA-N 0 0 348.143 2.990 50 0 EFAARN O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1Cc1ccco1 ZINC000009575686 275043242 /nfs/dbraw/zinc/04/32/42/275043242.db2.gz QBXBDPSYQNVWGI-UHFFFAOYSA-N 0 0 343.346 2.748 50 0 EFAARN CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004157404 275658258 /nfs/dbraw/zinc/65/82/58/275658258.db2.gz UOTHZMJBHDMHOV-XRGAULLZSA-N 0 0 327.380 2.787 50 0 EFAARN CC(C)c1cc(Br)ccc1NC(=O)CN1CCOCC1 ZINC000020018450 275725375 /nfs/dbraw/zinc/72/53/75/275725375.db2.gz GTSURFNFIHILJQ-UHFFFAOYSA-N 0 0 341.249 2.843 50 0 EFAARN CC(=O)N1CCc2cc(-c3csc(=Nc4cc[nH]n4)n3C)ccc21 ZINC000101720781 275774132 /nfs/dbraw/zinc/77/41/32/275774132.db2.gz NXBDZVTYHSLONT-ZPHPHTNESA-N 0 0 339.424 2.618 50 0 EFAARN CC1(C)Cc2c(sc3nc(-c4cccs4)n(N)c(=O)c32)CO1 ZINC000000534215 276150409 /nfs/dbraw/zinc/15/04/09/276150409.db2.gz VJKSSQPNFAJWFE-UHFFFAOYSA-N 0 0 333.438 2.752 50 0 EFAARN CCCCNC(=O)N1CCC2(CC1)Nc1ccccc1N(CC)C2=O ZINC000048170771 276236382 /nfs/dbraw/zinc/23/63/82/276236382.db2.gz 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/nfs/dbraw/zinc/08/39/02/277083902.db2.gz WGEJFSJRXZFCKW-UHFFFAOYSA-N 0 0 337.423 2.970 50 0 EFAARN CC(C)(C)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000033088958 277172281 /nfs/dbraw/zinc/17/22/81/277172281.db2.gz PRWCFDQOSRMGQN-UHFFFAOYSA-N 0 0 349.228 2.848 50 0 EFAARN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CC(=O)c1cc3c(cc1O2)OCO3 ZINC000096341541 277192165 /nfs/dbraw/zinc/19/21/65/277192165.db2.gz KRVOSUPHZMYNCA-SFHVURJKSA-N 0 0 347.367 2.760 50 0 EFAARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc(F)c1 ZINC000002253299 277310870 /nfs/dbraw/zinc/31/08/70/277310870.db2.gz AWWGFSMQBOLJRV-RNCFNFMXSA-N 0 0 334.372 2.647 50 0 EFAARN COC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1 ZINC000006810816 277361312 /nfs/dbraw/zinc/36/13/12/277361312.db2.gz KTXBBXFZADAMLN-HNNXBMFYSA-N 0 0 331.755 2.921 50 0 EFAARN COc1c2c(c(NC(=O)c3cccs3)c3c1CN(C)CC3)OCO2 ZINC000032123945 277365476 /nfs/dbraw/zinc/36/54/76/277365476.db2.gz JWLONGFGOYYWTP-UHFFFAOYSA-N 0 0 346.408 2.726 50 0 biogenic EFAARN COc1cc2c(cc1O)[C@H]1Cc3ccc(O)c(OC)c3CN1CC2 ZINC000022066525 277393354 /nfs/dbraw/zinc/39/33/54/277393354.db2.gz JKPISQIIWUONPB-OAHLLOKOSA-N 0 0 327.380 2.771 50 0 biogenic,in-vitro EFAARN COC(=O)c1cc(-c2ccccc2F)nc2c1c(=O)[nH]c(=S)n2C ZINC000020604511 277418411 /nfs/dbraw/zinc/41/84/11/277418411.db2.gz CVCOOAQYZMYARM-UHFFFAOYSA-N 0 0 345.355 2.584 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000000269980 277423503 /nfs/dbraw/zinc/42/35/03/277423503.db2.gz PSQDMZUIZOACLE-LBPRGKRZSA-N 0 0 333.409 2.844 50 0 EFAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)cc1 ZINC000002329400 277436276 /nfs/dbraw/zinc/43/62/76/277436276.db2.gz XQBTWTGMEUGBMW-INIZCTEOSA-N 0 0 349.342 2.755 50 0 EFAARN COc1ccccc1CCCNC(=O)N(C)[C@H](C)c1ccncn1 ZINC000426562818 277467095 /nfs/dbraw/zinc/46/70/95/277467095.db2.gz DHHNCMWYECLXGS-CQSZACIVSA-N 0 0 328.416 2.820 50 0 EFAARN CSc1ccc2c(C)cc(N3CC[C@]4(CC(=O)NC4=O)C3)nc2c1 ZINC000082086623 277533445 /nfs/dbraw/zinc/53/34/45/277533445.db2.gz 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/nfs/dbraw/zinc/07/48/00/278074800.db2.gz YHNOBRWBDPYSQK-HZPDHXFCSA-N 0 0 348.244 2.803 50 0 EFAARN CC(C)c1nc2sc3c(ncn(N)c3=O)c2c2c1COC(C)(C)C2 ZINC000001245810 278078724 /nfs/dbraw/zinc/07/87/24/278078724.db2.gz IKKPPGBFNXWNMZ-UHFFFAOYSA-N 0 0 344.440 2.695 50 0 EFAARN CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3F)c(=O)[nH]c2C1 ZINC000061720959 278186739 /nfs/dbraw/zinc/18/67/39/278186739.db2.gz RWKPODVRLOPEEU-UHFFFAOYSA-N 0 0 328.343 2.921 50 0 EFAARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000004082811 278233584 /nfs/dbraw/zinc/23/35/84/278233584.db2.gz AYEXSTRNLGYBSQ-YOBHSKELSA-N 0 0 348.483 2.889 50 0 biogenic,in-vitro EFAARN CC1(C)C[C@H](C[NH+]2CCN(c3ccc(C(=O)[O-])cc3)CC2)CCO1 ZINC000097636578 278376453 /nfs/dbraw/zinc/37/64/53/278376453.db2.gz RLGLDSVWNDKQAY-OAHLLOKOSA-N 0 0 332.444 2.712 50 0 EFAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CCC[C@H]32)C(=O)O1 ZINC000004915465 278409321 /nfs/dbraw/zinc/40/93/21/278409321.db2.gz XTWQGUSOZFXNTJ-ZDUSSCGKSA-N 0 0 335.787 2.687 50 0 EFAARN Cc1nc2[nH]c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1C ZINC000100650699 278577022 /nfs/dbraw/zinc/57/70/22/278577022.db2.gz RIJPEGRVOZLRLO-UHFFFAOYSA-N 0 0 339.399 2.584 50 0 EFAARN Cc1ccc(C(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000000302758 278789760 /nfs/dbraw/zinc/78/97/60/278789760.db2.gz AGDUNJLXOOVADF-INIZCTEOSA-N 0 0 349.312 2.891 50 0 EFAARN Cc1nc(N)ncc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000299774712 279088837 /nfs/dbraw/zinc/08/88/37/279088837.db2.gz IAHCUERZRMTCDC-HNNXBMFYSA-N 0 0 338.411 2.934 50 0 EFAARN Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCCC3 ZINC000000495689 279323568 /nfs/dbraw/zinc/32/35/68/279323568.db2.gz SLFYDMBDADVOON-UHFFFAOYSA-N 0 0 326.421 2.689 50 0 EFAARN Cn1ncc(Br)c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000376123 279401328 /nfs/dbraw/zinc/40/13/28/279401328.db2.gz YQODBGJQHPDSMQ-UHFFFAOYSA-N 0 0 338.249 2.737 50 0 EFAARN CC(C)N1CCC[C@@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O ZINC000091551846 279500537 /nfs/dbraw/zinc/50/05/37/279500537.db2.gz DREOYZIPHVBWGN-HNNXBMFYSA-N 0 0 342.365 2.723 50 0 EFAARN CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@@H]1c1ccccc1 ZINC000005164352 279531442 /nfs/dbraw/zinc/53/14/42/279531442.db2.gz BZOBUCKAHUCMAB-DYESRHJHSA-N 0 0 348.402 2.860 50 0 EFAARN CCOc1cccc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)c1 ZINC000065526794 279974686 /nfs/dbraw/zinc/97/46/86/279974686.db2.gz ANWBOZPYFJGGRN-CYBMUJFWSA-N 0 0 331.441 2.760 50 0 EFAARN O=C(c1ccccc1Cl)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036071012 280213342 /nfs/dbraw/zinc/21/33/42/280213342.db2.gz LFWRZOTZVQEZOB-KRWDZBQOSA-N 0 0 340.810 2.922 50 0 EFAARN Cc1c(C)n(-c2nccs2)c2ncn(Cc3cccnc3)c(=N)c12 ZINC000100921162 280223777 /nfs/dbraw/zinc/22/37/77/280223777.db2.gz MBDFVLXBEOSXRU-UHFFFAOYSA-N 0 0 336.424 2.823 50 0 EFAARN O=C(c1ncc(F)cc1F)N1CCC2(CNc3ccccc32)CC1 ZINC000221399488 280241913 /nfs/dbraw/zinc/24/19/13/280241913.db2.gz PTBIIIVHMAROCZ-UHFFFAOYSA-N 0 0 329.350 2.959 50 0 EFAARN Cc1c2c(nn1-c1ccccc1Cl)c(N1CCOCC1)nnc2C ZINC000036646263 280260446 /nfs/dbraw/zinc/26/04/46/280260446.db2.gz GYSWMMZEENEFPG-UHFFFAOYSA-N 0 0 343.818 2.922 50 0 EFAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCCO3 ZINC000001069940 280269630 /nfs/dbraw/zinc/26/96/30/280269630.db2.gz VPHOHMODWQQWHS-NSHDSACASA-N 0 0 325.320 2.661 50 0 EFAARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Br)cc1F ZINC000004576674 280329643 /nfs/dbraw/zinc/32/96/43/280329643.db2.gz ZFNPVYMGVRFAAY-XXHBBNRNSA-N 0 0 336.160 2.900 50 0 EFAARN Cc1cc(C(=O)Nc2ccccc2I)no1 ZINC000012979230 280371056 /nfs/dbraw/zinc/37/10/56/280371056.db2.gz OOWXOJFCGNOOFN-UHFFFAOYSA-N 0 0 328.109 2.840 50 0 EFAARN O=c1ccn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]1 ZINC000000135151 280395596 /nfs/dbraw/zinc/39/55/96/280395596.db2.gz QKCBCEPGAIGAAA-UHFFFAOYSA-N 0 0 331.331 2.848 50 0 EFAARN Cc1cc(C)cc(-n2ncc3c4nc([C@H]5CCCO5)nn4cnc32)c1 ZINC000005301858 280413812 /nfs/dbraw/zinc/41/38/12/280413812.db2.gz KRQHZWLUSVOVRL-OAHLLOKOSA-N 0 0 334.383 2.932 50 0 EFAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc3c(s2)CCCC3)on1 ZINC000091846492 280499778 /nfs/dbraw/zinc/49/97/78/280499778.db2.gz LGHJZVULVWRYGD-HIFRSBDPSA-N 0 0 346.452 2.911 50 0 EFAARN Cc1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1C ZINC000036070968 280762522 /nfs/dbraw/zinc/76/25/22/280762522.db2.gz XCTCPDNQRYUXPT-LJQANCHMSA-N 0 0 334.419 2.885 50 0 EFAARN Cc1ccc2n1CCN(C(=O)c1cnc(-c3cccnc3)nc1)[C@H]2C ZINC000065468321 281148647 /nfs/dbraw/zinc/14/86/47/281148647.db2.gz LBTXPXJUCKFGKC-AWEZNQCLSA-N 0 0 333.395 2.866 50 0 EFAARN Cc1ccc2n1CCN(C(=O)c1cnc(-c3cccnc3)nc1)[C@@H]2C ZINC000065468317 281148684 /nfs/dbraw/zinc/14/86/84/281148684.db2.gz LBTXPXJUCKFGKC-CQSZACIVSA-N 0 0 333.395 2.866 50 0 EFAARN Cc1cccc(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)c1 ZINC000004938349 281196082 /nfs/dbraw/zinc/19/60/82/281196082.db2.gz RZBQINXUDDZGER-UHFFFAOYSA-N 0 0 338.411 2.504 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@@H](C)C1 ZINC000077340632 281347360 /nfs/dbraw/zinc/34/73/60/281347360.db2.gz 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471329442 /nfs/dbraw/zinc/32/94/42/471329442.db2.gz QKXPWHLIQGFVNZ-UHFFFAOYSA-N 0 0 347.436 2.804 50 0 EFAARN CCc1cc2c(ncn(CC(=O)Nc3ccccc3OC)c2=O)s1 ZINC000000149877 471329460 /nfs/dbraw/zinc/32/94/60/471329460.db2.gz JHEASKMQXRYFDN-UHFFFAOYSA-N 0 0 343.408 2.668 50 0 EFAARN CCOC(=O)c1ccc(-n2ncc(N(CC)CC)c(Cl)c2=O)cc1 ZINC000000165945 471330311 /nfs/dbraw/zinc/33/03/11/471330311.db2.gz NFHDXYKOISIWDM-UHFFFAOYSA-N 0 0 349.818 2.909 50 0 EFAARN C[C@H]1CN(C(=O)c2ccccc2F)CCN1C(=O)c1ccccc1F ZINC000000172490 471330634 /nfs/dbraw/zinc/33/06/34/471330634.db2.gz XGIWCQHCUXVIEH-ZDUSSCGKSA-N 0 0 344.361 2.952 50 0 EFAARN O=c1[nH]c2ccccc2c(=O)n1CCSc1nc2ccccc2o1 ZINC000000162556 471330667 /nfs/dbraw/zinc/33/06/67/471330667.db2.gz QAWCHAGZOQNFIF-UHFFFAOYSA-N 0 0 339.376 2.623 50 0 EFAARN COC(=O)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000000176833 471330938 /nfs/dbraw/zinc/33/09/38/471330938.db2.gz HHOOHZITBHIEGJ-DHDCSXOGSA-N 0 0 325.295 2.957 50 0 EFAARN Cc1c2ccccc2oc1C(=O)NC(=S)NCc1cccnc1 ZINC000000180589 471331289 /nfs/dbraw/zinc/33/12/89/471331289.db2.gz KKMANWIRZZRUQF-UHFFFAOYSA-N 0 0 325.393 2.941 50 0 EFAARN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000000180260 471331875 /nfs/dbraw/zinc/33/18/75/471331875.db2.gz FJDWOULIOQOVAC-UHFFFAOYSA-N 0 0 333.337 2.614 50 0 EFAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(O)c2)NC(=O)N1 ZINC000000182707 471331896 /nfs/dbraw/zinc/33/18/96/471331896.db2.gz YFHLAYARHPZLCV-KRWDZBQOSA-N 0 0 338.363 2.764 50 0 EFAARN Cc1cc(C)c(-n2nnnc2SCC(=O)N2CCCCC2)c(C)c1 ZINC000000184758 471332516 /nfs/dbraw/zinc/33/25/16/471332516.db2.gz BOTWYBWVEKQZMN-UHFFFAOYSA-N 0 0 345.472 2.692 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1 ZINC000000185551 471332810 /nfs/dbraw/zinc/33/28/10/471332810.db2.gz FSFQOZPFDYDGRE-UHFFFAOYSA-N 0 0 345.351 2.751 50 0 EFAARN Cc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)c(C)c1 ZINC000000189277 471332842 /nfs/dbraw/zinc/33/28/42/471332842.db2.gz QUVVETJWMACTBR-UHFFFAOYSA-N 0 0 343.408 2.514 50 0 EFAARN Nc1cccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000000201168 471333074 /nfs/dbraw/zinc/33/30/74/471333074.db2.gz NWXADOSEPZMACW-OAHLLOKOSA-N 0 0 338.363 2.836 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(F)cc1 ZINC000000193727 471333386 /nfs/dbraw/zinc/33/33/86/471333386.db2.gz ISXRBPWHECMZHZ-AWEZNQCLSA-N 0 0 334.372 2.649 50 0 EFAARN COCc1nnc(NC(=O)c2c(C)onc2-c2ccccc2)s1 ZINC000000199460 471333757 /nfs/dbraw/zinc/33/37/57/471333757.db2.gz NPFWNRGGAOLUHJ-UHFFFAOYSA-N 0 0 330.369 2.900 50 0 EFAARN COc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1OC ZINC000000195693 471333792 /nfs/dbraw/zinc/33/37/92/471333792.db2.gz KYEYVLNZTJUDST-UHFFFAOYSA-N 0 0 332.381 2.599 50 0 EFAARN O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCCC1 ZINC000000204021 471334235 /nfs/dbraw/zinc/33/42/35/471334235.db2.gz UPNSFNNDWVWVRQ-UHFFFAOYSA-N 0 0 333.391 2.686 50 0 EFAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 ZINC000000202713 471334406 /nfs/dbraw/zinc/33/44/06/471334406.db2.gz ZDMDHVWPDBIHJU-SGTLLEGYSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(OC)c1 ZINC000000202286 471334566 /nfs/dbraw/zinc/33/45/66/471334566.db2.gz PIOUVEPWVXDFJF-OAHLLOKOSA-N 0 0 346.408 2.518 50 0 EFAARN CC(C)Oc1ccc(C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)cc1 ZINC000000204541 471334757 /nfs/dbraw/zinc/33/47/57/471334757.db2.gz BECBLNMRNMDZCM-HNNXBMFYSA-N 0 0 348.296 2.895 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C)cc1 ZINC000000202285 471334848 /nfs/dbraw/zinc/33/48/48/471334848.db2.gz HSOOBDWOBVVLOL-OAHLLOKOSA-N 0 0 330.409 2.818 50 0 EFAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)COC2=O ZINC000000208981 471335444 /nfs/dbraw/zinc/33/54/44/471335444.db2.gz IHZICWGYVYWFIF-UHFFFAOYSA-N 0 0 326.377 2.792 50 0 EFAARN CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(CCC)(C1)C2=O ZINC000000213690 471336197 /nfs/dbraw/zinc/33/61/97/471336197.db2.gz ASYMDOFLFNOPNA-UHFFFAOYSA-N 0 0 336.476 2.633 50 0 biogenic EFAARN COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(F)c(Br)c1 ZINC000000213135 471336279 /nfs/dbraw/zinc/33/62/79/471336279.db2.gz BDHZKGFMTNRTFE-SECBINFHSA-N 0 0 342.164 2.639 50 0 EFAARN Cc1ccc(F)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000000223664 471337915 /nfs/dbraw/zinc/33/79/15/471337915.db2.gz NCBJHUDQYDUZTF-UHFFFAOYSA-N 0 0 325.343 2.562 50 0 EFAARN COc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3nnnn32)c(OC)c1 ZINC000000222714 471338093 /nfs/dbraw/zinc/33/80/93/471338093.db2.gz CPMZGGDRMSLFMD-STQMWFEESA-N 0 0 343.412 2.898 50 0 EFAARN CSc1nc(-c2ccccc2)nc(N2CCN(C)CC2)c1C(C)=O ZINC000000229636 471338988 /nfs/dbraw/zinc/33/89/88/471338988.db2.gz NKERTIBVESTPFT-UHFFFAOYSA-N 0 0 342.468 2.820 50 0 EFAARN COc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 ZINC000000240348 471339477 /nfs/dbraw/zinc/33/94/77/471339477.db2.gz OBUXPVKWDKYIIA-UHFFFAOYSA-N 0 0 340.408 2.520 50 0 EFAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000000244008 471339695 /nfs/dbraw/zinc/33/96/95/471339695.db2.gz ZSOPSVVEKQFKQA-UHFFFAOYSA-N 0 0 341.436 2.650 50 0 EFAARN COC(=O)c1cccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 ZINC000000243160 471339732 /nfs/dbraw/zinc/33/97/32/471339732.db2.gz HTQWURAZDXSEFU-OAHLLOKOSA-N 0 0 340.379 2.571 50 0 EFAARN COC(=O)c1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1 ZINC000000243147 471340487 /nfs/dbraw/zinc/34/04/87/471340487.db2.gz PEANRFKFFVOHKA-OAHLLOKOSA-N 0 0 340.379 2.571 50 0 EFAARN COc1cc(CN2C(=O)c3ccc(F)cc3C2=O)cc(OC)c1OC ZINC000000246858 471340648 /nfs/dbraw/zinc/34/06/48/471340648.db2.gz MDNYDLMRUDRDCY-UHFFFAOYSA-N 0 0 345.326 2.648 50 0 EFAARN CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000260717 471341127 /nfs/dbraw/zinc/34/11/27/471341127.db2.gz FXUBTSCJBLZGAY-KGLIPLIRSA-N 0 0 340.807 2.506 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1 ZINC000000264568 471341658 /nfs/dbraw/zinc/34/16/58/471341658.db2.gz JUJXNEMLGLBFHE-UHFFFAOYSA-N 0 0 330.453 2.814 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(OC)c2)c1 ZINC000000265841 471341706 /nfs/dbraw/zinc/34/17/06/471341706.db2.gz PVGVKNXOENSVJO-UHFFFAOYSA-N 0 0 343.335 2.521 50 0 biogenic EFAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000000262379 471341773 /nfs/dbraw/zinc/34/17/73/471341773.db2.gz LXUHOCSHIFFSEM-UHFFFAOYSA-N 0 0 342.395 2.793 50 0 EFAARN CCN1c2ccc(S(=O)(=O)N3CCCC3)c3cccc(c23)C1=O ZINC000000276133 471342468 /nfs/dbraw/zinc/34/24/68/471342468.db2.gz HTONIJRZZRKKQF-UHFFFAOYSA-N 0 0 330.409 2.604 50 0 EFAARN CC(C)CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(O)cc2)N1 ZINC000000279552 471342781 /nfs/dbraw/zinc/34/27/81/471342781.db2.gz LVYSLQPUOCCFIA-AWEZNQCLSA-N 0 0 330.306 2.891 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccs1 ZINC000000289581 471343672 /nfs/dbraw/zinc/34/36/72/471343672.db2.gz STGCISQQDCDQAV-CYBMUJFWSA-N 0 0 336.438 2.961 50 0 EFAARN CCC1=NN(C(=O)c2ccncc2)[C@](O)(c2ccc(OC)cc2)C1 ZINC000000295895 471343724 /nfs/dbraw/zinc/34/37/24/471343724.db2.gz GLKALVUJYGSWFF-GOSISDBHSA-N 0 0 325.368 2.547 50 0 EFAARN O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F ZINC000000302712 471344313 /nfs/dbraw/zinc/34/43/13/471344313.db2.gz IDFOFXFCPZECRD-HNNXBMFYSA-N 0 0 335.285 2.583 50 0 EFAARN CCC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(c2ccncc2)C1 ZINC000000302352 471344382 /nfs/dbraw/zinc/34/43/82/471344382.db2.gz SSBVHJXQFPZTGL-GOSISDBHSA-N 0 0 325.368 2.553 50 0 EFAARN O=C(Nc1ccc2nccnc2c1)N1CCN(c2ccccc2)CC1 ZINC000000303143 471344462 /nfs/dbraw/zinc/34/44/62/471344462.db2.gz LFVDMJRIVMZKDT-UHFFFAOYSA-N 0 0 333.395 2.984 50 0 EFAARN O=C(Cc1ccccc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F ZINC000000302763 471344784 /nfs/dbraw/zinc/34/47/84/471344784.db2.gz APWDLWXTHWLIBK-MRXNPFEDSA-N 0 0 349.312 2.512 50 0 EFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1O)N1C(=O)c2ccccc2C1=O ZINC000000303023 471344815 /nfs/dbraw/zinc/34/48/15/471344815.db2.gz FRONEVJJXADVKS-SECBINFHSA-N 0 0 344.754 2.669 50 0 EFAARN COC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000305589 471345690 /nfs/dbraw/zinc/34/56/90/471345690.db2.gz SWTLKIRMTPXUTI-UHFFFAOYSA-N 0 0 328.275 2.658 50 0 EFAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1 ZINC000000309361 471345827 /nfs/dbraw/zinc/34/58/27/471345827.db2.gz QXJFXODGKXVYLG-UHFFFAOYSA-N 0 0 329.425 2.888 50 0 EFAARN COc1ccc(OC)c(NC(=S)NCc2ccc3c(c2)OCO3)c1 ZINC000000306308 471345934 /nfs/dbraw/zinc/34/59/34/471345934.db2.gz ZARCIYCRCQWKAE-UHFFFAOYSA-N 0 0 346.408 2.919 50 0 EFAARN COc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000000306964 471346056 /nfs/dbraw/zinc/34/60/56/471346056.db2.gz PEBBEHBUGWJEMT-UHFFFAOYSA-N 0 0 346.408 2.919 50 0 EFAARN O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000306610 471346104 /nfs/dbraw/zinc/34/61/04/471346104.db2.gz IDTLXBAGPSPXQR-UHFFFAOYSA-N 0 0 336.457 2.534 50 0 EFAARN COc1cccc(NC(=O)c2cc3cc(OC)ccc3o/c2=N\O)c1 ZINC000000317290 471346896 /nfs/dbraw/zinc/34/68/96/471346896.db2.gz IVDSNLLRHWFDHJ-ZZEZOPTASA-N 0 0 340.335 2.992 50 0 EFAARN Cc1cc(Br)ccc1OCC(=O)NCc1cccnc1 ZINC000000311534 471347137 /nfs/dbraw/zinc/34/71/37/471347137.db2.gz NEIAMPOVWQAULW-UHFFFAOYSA-N 0 0 335.201 2.848 50 0 EFAARN O=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2 ZINC000000313222 471347431 /nfs/dbraw/zinc/34/74/31/471347431.db2.gz VPQJHSQARBCDPM-UHFFFAOYSA-N 0 0 336.428 2.956 50 0 EFAARN COC(=O)c1ccc(C)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000000317149 471347470 /nfs/dbraw/zinc/34/74/70/471347470.db2.gz ITJPVPYOPGEAEI-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN Cc1sc(NC(=O)CSc2nncn2C)nc1-c1ccccc1 ZINC000000317395 471347490 /nfs/dbraw/zinc/34/74/90/471347490.db2.gz SJSXUXBVOOTHLP-UHFFFAOYSA-N 0 0 345.453 2.978 50 0 EFAARN CC(=O)Oc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000000318119 471347975 /nfs/dbraw/zinc/34/79/75/471347975.db2.gz WLMPLRBZCFLWDN-UHFFFAOYSA-N 0 0 342.370 2.713 50 0 EFAARN COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O ZINC000000338331 471349300 /nfs/dbraw/zinc/34/93/00/471349300.db2.gz VKOSQMWSWLZQPA-UHFFFAOYSA-N 0 0 344.319 2.897 50 0 biogenic,in-vitro EFAARN NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000000340634 471349375 /nfs/dbraw/zinc/34/93/75/471349375.db2.gz VDUDGWPUXQITCH-GXDHUFHOSA-N 0 0 345.196 2.705 50 0 EFAARN CC1=Nc2nnnn2[C@H](c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000000351686 471350301 /nfs/dbraw/zinc/35/03/01/471350301.db2.gz CTHVEFSBUOEMDD-QGZVFWFLSA-N 0 0 347.378 2.705 50 0 EFAARN CCc1nnc(-c2ccc(OC)c(I)c2)o1 ZINC000000359183 471350514 /nfs/dbraw/zinc/35/05/14/471350514.db2.gz HSVIVYQEJKMMNY-UHFFFAOYSA-N 0 0 330.125 2.912 50 0 EFAARN Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@]2(O)C(F)(F)F)c1O ZINC000000352137 471350891 /nfs/dbraw/zinc/35/08/91/471350891.db2.gz BKXSQRZARAOITK-NHYWBVRUSA-N 0 0 342.317 2.954 50 0 EFAARN COC(=O)c1sc(NC(=O)c2cccc(OC)c2OC)nc1C ZINC000000355982 471351045 /nfs/dbraw/zinc/35/10/45/471351045.db2.gz TVGHJCAMTRKJFJ-UHFFFAOYSA-N 0 0 336.369 2.508 50 0 EFAARN COc1cccc(CNn2cnnc2)c1OCc1ccccc1F ZINC000000373711 471352056 /nfs/dbraw/zinc/35/20/56/471352056.db2.gz OVYJYAIJGLSJPW-UHFFFAOYSA-N 0 0 328.347 2.749 50 0 EFAARN CCOc1cc(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000000384569 471353782 /nfs/dbraw/zinc/35/37/82/471353782.db2.gz KRSJWNXWNUZWRE-ZIAGYGMSSA-N 0 0 327.446 2.500 50 0 EFAARN CCOC(=O)c1cnc(SC)nc1NCc1ccc(OC)cc1 ZINC000000383916 471353895 /nfs/dbraw/zinc/35/38/95/471353895.db2.gz NSYZKHHFIPHURY-UHFFFAOYSA-N 0 0 333.413 2.996 50 0 EFAARN COc1ccc(CCNS(=O)(=O)c2cccc(C)c2)cc1OC ZINC000000387126 471354014 /nfs/dbraw/zinc/35/40/14/471354014.db2.gz NLBZWGMRVIKMQN-UHFFFAOYSA-N 0 0 335.425 2.533 50 0 EFAARN FC(F)(F)c1nnc2sc(Cc3noc4ccccc43)nn21 ZINC000000385471 471354040 /nfs/dbraw/zinc/35/40/40/471354040.db2.gz ZRXZYTJVTASZNX-UHFFFAOYSA-N 0 0 325.275 2.937 50 0 EFAARN O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cn1 ZINC000000386166 471354060 /nfs/dbraw/zinc/35/40/60/471354060.db2.gz PHJWYRSUUWVLBU-UHFFFAOYSA-N 0 0 347.787 2.911 50 0 EFAARN CCOc1cc(Br)ccc1S(=O)(=O)N1CCCC1 ZINC000000384668 471354173 /nfs/dbraw/zinc/35/41/73/471354173.db2.gz FRWAEXVGXWWZQW-UHFFFAOYSA-N 0 0 334.235 2.632 50 0 EFAARN CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000000415893 471355545 /nfs/dbraw/zinc/35/55/45/471355545.db2.gz DQAUAIGHPMXODG-UHFFFAOYSA-N 0 0 325.347 2.680 50 0 EFAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(OC)c1 ZINC000000415958 471355681 /nfs/dbraw/zinc/35/56/81/471355681.db2.gz BWQOQRTURUKZQP-UHFFFAOYSA-N 0 0 337.379 2.606 50 0 EFAARN Cc1ncc(CO)c2cc(C(=O)Nc3cccc(Cl)c3)c(=O)oc12 ZINC000000424250 471358185 /nfs/dbraw/zinc/35/81/85/471358185.db2.gz ACVCMDSNMSFAJY-UHFFFAOYSA-N 0 0 344.754 2.894 50 0 EFAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 ZINC000000422612 471358244 /nfs/dbraw/zinc/35/82/44/471358244.db2.gz NSFDRFZRROTYTN-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21 ZINC000000428677 471358517 /nfs/dbraw/zinc/35/85/17/471358517.db2.gz QFZSDNGOQSGORA-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc21 ZINC000000428694 471358621 /nfs/dbraw/zinc/35/86/21/471358621.db2.gz OWXLWYWKBBJUFQ-ZDUSSCGKSA-N 0 0 344.436 2.635 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21 ZINC000000428721 471359194 /nfs/dbraw/zinc/35/91/94/471359194.db2.gz KJSZUZZXEVGUFT-UHFFFAOYSA-N 0 0 330.409 2.705 50 0 EFAARN COc1ccc(-c2nnc(SCC(=O)Nc3nccs3)o2)cc1 ZINC000000428206 471359262 /nfs/dbraw/zinc/35/92/62/471359262.db2.gz NFQNYZNPOVVOIO-UHFFFAOYSA-N 0 0 348.409 2.933 50 0 EFAARN CCOc1ccc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2c1 ZINC000000435668 471360102 /nfs/dbraw/zinc/36/01/02/471360102.db2.gz QPAMZAAMWKBODC-MRXNPFEDSA-N 0 0 335.425 2.696 50 0 EFAARN O=C(c1ccccc1O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000436191 471360107 /nfs/dbraw/zinc/36/01/07/471360107.db2.gz GITNYGIPTKRVPM-QMTHXVAHSA-N 0 0 328.290 2.645 50 0 EFAARN CCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1C(N)=O ZINC000000434032 471360116 /nfs/dbraw/zinc/36/01/16/471360116.db2.gz PXMPPGTTWDYCAZ-UHFFFAOYSA-N 0 0 348.424 2.987 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OC)c2)NC(=O)N1 ZINC000000432519 471360216 /nfs/dbraw/zinc/36/02/16/471360216.db2.gz XXQZJEDAWJLZQX-MRXNPFEDSA-N 0 0 348.399 2.675 50 0 EFAARN NC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 ZINC000000445383 471361197 /nfs/dbraw/zinc/36/11/97/471361197.db2.gz ZYEYHDUFVPOCOS-GXDHUFHOSA-N 0 0 345.196 2.705 50 0 EFAARN O=C(COc1ccc(Br)cc1Cl)NC[C@H]1CCCO1 ZINC000000458129 471361989 /nfs/dbraw/zinc/36/19/89/471361989.db2.gz LYOIEPOHGIXEFH-SNVBAGLBSA-N 0 0 348.624 2.777 50 0 EFAARN O=C(NC(=S)Nc1ccccn1)c1ccccc1Br ZINC000000452416 471362439 /nfs/dbraw/zinc/36/24/39/471362439.db2.gz CVKAMLCGXVVKFI-UHFFFAOYSA-N 0 0 336.214 2.971 50 0 EFAARN O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCOCC1 ZINC000000452380 471362442 /nfs/dbraw/zinc/36/24/42/471362442.db2.gz GPNUNHZDGJKCPG-UHFFFAOYSA-N 0 0 330.620 2.668 50 0 EFAARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(OC)cc2)C1=O ZINC000000466686 471362924 /nfs/dbraw/zinc/36/29/24/471362924.db2.gz HTZWUQNMHJKKOS-HXUWFJFHSA-N 0 0 339.391 2.912 50 0 EFAARN COC(=O)COc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000000467847 471363175 /nfs/dbraw/zinc/36/31/75/471363175.db2.gz AMHHZOVZRWGLEF-UHFFFAOYSA-N 0 0 331.393 2.969 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccccc1 ZINC000000467665 471363318 /nfs/dbraw/zinc/36/33/18/471363318.db2.gz BHSNVNYFSDMJGJ-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000000475776 471364149 /nfs/dbraw/zinc/36/41/49/471364149.db2.gz IVBXGWQNGCEREI-ZDUSSCGKSA-N 0 0 332.425 2.679 50 0 EFAARN Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 ZINC000000470742 471364183 /nfs/dbraw/zinc/36/41/83/471364183.db2.gz IKBRTPUFZRRPMM-UHFFFAOYSA-N 0 0 332.425 2.952 50 0 EFAARN Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1 ZINC000000473590 471364342 /nfs/dbraw/zinc/36/43/42/471364342.db2.gz MNGHAJJMXNIRBF-UHFFFAOYSA-N 0 0 326.396 2.849 50 0 EFAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccs1 ZINC000000477054 471364659 /nfs/dbraw/zinc/36/46/59/471364659.db2.gz MAMUAAAILSXXBQ-QGZVFWFLSA-N 0 0 341.436 2.593 50 0 EFAARN CC1=NN(C(=S)NCc2ccccc2)[C@@]2(O)C[C@@H]3[C@H]([C@H]12)C3(C)C ZINC000000486953 471365256 /nfs/dbraw/zinc/36/52/56/471365256.db2.gz JUSBNFHLNFHRDG-BASYENTBSA-N 0 0 329.469 2.733 50 0 biogenic EFAARN CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(N)=O)C1 ZINC000000483795 471365419 /nfs/dbraw/zinc/36/54/19/471365419.db2.gz 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ZINC000000506250 471366726 /nfs/dbraw/zinc/36/67/26/471366726.db2.gz PDFMVXHSCKFRDJ-UHFFFAOYSA-N 0 0 335.791 2.642 50 0 EFAARN COc1cc(Cn2cnc3c4ccccc4[nH]c3c2=O)cc(OC)c1 ZINC000000525926 471367635 /nfs/dbraw/zinc/36/76/35/471367635.db2.gz ZBWBGXVVJRVEPA-UHFFFAOYSA-N 0 0 335.363 2.943 50 0 biogenic EFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000000514447 471368026 /nfs/dbraw/zinc/36/80/26/471368026.db2.gz LTIGLRDPCOJAFA-UHFFFAOYSA-N 0 0 346.452 2.871 50 0 EFAARN COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1OC ZINC000000531829 471368548 /nfs/dbraw/zinc/36/85/48/471368548.db2.gz AIWFEEQBDGUZIM-UHFFFAOYSA-N 0 0 342.380 2.913 50 0 EFAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1O)N1C(=O)c2ccccc2C1=O ZINC000000529273 471368660 /nfs/dbraw/zinc/36/86/60/471368660.db2.gz ZNHWGANOJTUEQD-VIFPVBQESA-N 0 0 344.754 2.669 50 0 EFAARN COc1cc(S(=O)(=O)NCc2ccco2)ccc1Br ZINC000000528954 471368707 /nfs/dbraw/zinc/36/87/07/471368707.db2.gz COTHMPKLUVGTKU-UHFFFAOYSA-N 0 0 346.202 2.529 50 0 EFAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 ZINC000000527418 471368756 /nfs/dbraw/zinc/36/87/56/471368756.db2.gz ZNUUBOZZZCFHNS-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000529242 471368906 /nfs/dbraw/zinc/36/89/06/471368906.db2.gz DUJPFOJWEGLVLF-UHFFFAOYSA-N 0 0 346.452 2.945 50 0 EFAARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000000530743 471369007 /nfs/dbraw/zinc/36/90/07/471369007.db2.gz CLROCMPZGFYPBW-UHFFFAOYSA-N 0 0 349.803 2.636 50 0 EFAARN S=C(Nc1ccc(Nc2ccccc2)cc1)NN1CCOCC1 ZINC000000540052 471369427 /nfs/dbraw/zinc/36/94/27/471369427.db2.gz BTAPFTLAHVLGGY-UHFFFAOYSA-N 0 0 328.441 2.964 50 0 EFAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2oc(=O)ccc2c1 ZINC000000539879 471369517 /nfs/dbraw/zinc/36/95/17/471369517.db2.gz FMCDOMGCGQIXMK-FNORWQNLSA-N 0 0 340.360 2.912 50 0 EFAARN CSc1nnnn1-c1ccc(C(=O)OCc2ccccc2F)cc1 ZINC000000544377 471369678 /nfs/dbraw/zinc/36/96/78/471369678.db2.gz WGEVMUZARFXHBI-UHFFFAOYSA-N 0 0 344.371 2.880 50 0 EFAARN O=C(CSc1ncnc2c3ccccc3oc21)NC[C@@H]1CCCO1 ZINC000000539477 471369759 /nfs/dbraw/zinc/36/97/59/471369759.db2.gz DCJIBRWHLNNAIJ-NSHDSACASA-N 0 0 343.408 2.763 50 0 EFAARN O=C(C[C@H]1OCCN(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000000537303 471369784 /nfs/dbraw/zinc/36/97/84/471369784.db2.gz CNKJITHCAYFLHQ-QGZVFWFLSA-N 0 0 342.370 2.582 50 0 EFAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccco1 ZINC000000540236 471369809 /nfs/dbraw/zinc/36/98/09/471369809.db2.gz YFTXFZMIXBHNLU-AWEZNQCLSA-N 0 0 326.135 2.999 50 0 EFAARN Cc1ccc(-n2ncc3c4nnc(-c5ccncc5)n4cnc32)cc1 ZINC000000536759 471369840 /nfs/dbraw/zinc/36/98/40/471369840.db2.gz LKXIIMWSFROPSV-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000000553932 471370285 /nfs/dbraw/zinc/37/02/85/471370285.db2.gz QIFUNABDVVDVGC-UHFFFAOYSA-N 0 0 341.386 2.747 50 0 EFAARN Cc1c(N[C@H]2OC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000552713 471370555 /nfs/dbraw/zinc/37/05/55/471370555.db2.gz FCTNCTIAQGXNCM-KRWDZBQOSA-N 0 0 335.363 2.766 50 0 EFAARN CC(C)[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000550375 471370786 /nfs/dbraw/zinc/37/07/86/471370786.db2.gz SNKISUFDMOGMKV-GOSISDBHSA-N 0 0 336.391 2.796 50 0 EFAARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccccc2O)C1=O ZINC000000565194 471371281 /nfs/dbraw/zinc/37/12/81/471371281.db2.gz RXFWJZKSYLVLEY-LJQANCHMSA-N 0 0 325.364 2.609 50 0 EFAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000000574910 471372229 /nfs/dbraw/zinc/37/22/29/471372229.db2.gz ZCHGBLMLFJOSRJ-UHFFFAOYSA-N 0 0 344.864 2.873 50 0 EFAARN Cc1ccc(OCC(=O)NCc2cccnc2)c(Br)c1 ZINC000000577757 471372292 /nfs/dbraw/zinc/37/22/92/471372292.db2.gz GSDIRCBFIPZUEG-UHFFFAOYSA-N 0 0 335.201 2.848 50 0 EFAARN O=C(C[C@]1(O)C(=O)Nc2c1cccc2C(F)(F)F)c1ccco1 ZINC000000614270 471373460 /nfs/dbraw/zinc/37/34/60/471373460.db2.gz HCBQUIZQSAQLLL-CQSZACIVSA-N 0 0 325.242 2.711 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 ZINC000000610103 471373671 /nfs/dbraw/zinc/37/36/71/471373671.db2.gz LLKNOUQOCLSAGB-INIZCTEOSA-N 0 0 343.383 2.631 50 0 EFAARN CN(c1ccccc1C(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000000617795 471374766 /nfs/dbraw/zinc/37/47/66/471374766.db2.gz LTRRJPJWTCILJG-UHFFFAOYSA-N 0 0 338.816 2.988 50 0 EFAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1C ZINC000000814681 471375674 /nfs/dbraw/zinc/37/56/74/471375674.db2.gz JMIZYUZCWIQWEZ-UHFFFAOYSA-N 0 0 332.381 2.549 50 0 EFAARN CC[C@H](C)NC(=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000000814963 471376029 /nfs/dbraw/zinc/37/60/29/471376029.db2.gz QASBCKZFOOIPLI-ZANVPECISA-N 0 0 325.206 2.857 50 0 EFAARN CC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1cccc(C)c1 ZINC000000807194 471376031 /nfs/dbraw/zinc/37/60/31/471376031.db2.gz IGPHKGBXJSBULI-KRWDZBQOSA-N 0 0 337.379 2.697 50 0 EFAARN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccco2)cc1 ZINC000000800809 471376071 /nfs/dbraw/zinc/37/60/71/471376071.db2.gz GPOKOHIDPJJOOC-AWEZNQCLSA-N 0 0 325.411 2.725 50 0 EFAARN COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(C)n2)c1 ZINC000000806236 471376105 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CCn1ncc(-c2ccnc(SCC(=O)NCC(C)C)n2)c1C ZINC000002732624 471419352 /nfs/dbraw/zinc/41/93/52/471419352.db2.gz FELMZWWMMULLJZ-UHFFFAOYSA-N 0 0 333.461 2.533 50 0 EFAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3cccnc3Cl)nc2n1 ZINC000002768482 471420656 /nfs/dbraw/zinc/42/06/56/471420656.db2.gz HNMCIBSAJGKWLZ-UHFFFAOYSA-N 0 0 338.705 2.671 50 0 EFAARN COc1cccc(NC(=O)[C@H](C)Cn2cc(Br)cn2)c1 ZINC000002795731 471422221 /nfs/dbraw/zinc/42/22/21/471422221.db2.gz QVYHGRVVVZVOFD-SNVBAGLBSA-N 0 0 338.205 2.929 50 0 EFAARN CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000002820907 471423396 /nfs/dbraw/zinc/42/33/96/471423396.db2.gz IKMGLRRLRGHWOF-UHFFFAOYSA-N 0 0 333.409 2.753 50 0 EFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCCCC2)cc1 ZINC000002843242 471423431 /nfs/dbraw/zinc/42/34/31/471423431.db2.gz MPXCHMNKTCTBCQ-AWEZNQCLSA-N 0 0 338.473 2.501 50 0 EFAARN Cc1nn(Cc2nc3c4ccccc4ncn3n2)cc1Br ZINC000002806814 471423573 /nfs/dbraw/zinc/42/35/73/471423573.db2.gz MZAXVSXCHXUAEV-UHFFFAOYSA-N 0 0 343.188 2.593 50 0 EFAARN CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2c1=O ZINC000002835371 471423609 /nfs/dbraw/zinc/42/36/09/471423609.db2.gz DBLCPKGPQXOQMK-UHFFFAOYSA-N 0 0 337.379 2.579 50 0 EFAARN Cc1cc(C(F)(F)F)nn1Cc1nc2c3ccccc3ncn2n1 ZINC000002806574 471423695 /nfs/dbraw/zinc/42/36/95/471423695.db2.gz TVBXPAQMCAIYGF-UHFFFAOYSA-N 0 0 332.289 2.850 50 0 EFAARN COCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 ZINC000002819325 471424190 /nfs/dbraw/zinc/42/41/90/471424190.db2.gz HQKYHTJZSPTWQZ-UHFFFAOYSA-N 0 0 342.218 2.628 50 0 EFAARN CCCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O ZINC000002837006 471424291 /nfs/dbraw/zinc/42/42/91/471424291.db2.gz OTWZGNZXZAETPD-UHFFFAOYSA-N 0 0 327.340 2.631 50 0 EFAARN COCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1 ZINC000002853016 471424728 /nfs/dbraw/zinc/42/47/28/471424728.db2.gz LFWPPANLKVZPEZ-UHFFFAOYSA-N 0 0 326.396 2.634 50 0 EFAARN O=C(CCCN1C(=O)CCC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002866815 471424764 /nfs/dbraw/zinc/42/47/64/471424764.db2.gz JXBKDGLNWPDLRF-UHFFFAOYSA-N 0 0 328.290 2.573 50 0 EFAARN CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2)c1 ZINC000002868465 471425261 /nfs/dbraw/zinc/42/52/61/471425261.db2.gz XHLBYWGJJVBMGV-UHFFFAOYSA-N 0 0 339.800 2.810 50 0 EFAARN COc1ccc(NC(=O)C[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000002846547 471425313 /nfs/dbraw/zinc/42/53/13/471425313.db2.gz CRKGMOVHTNVPIT-ZDUSSCGKSA-N 0 0 329.352 2.872 50 0 EFAARN O=C(CCc1ccccc1)NC(=S)Nc1ccc2c(c1)COC2=O ZINC000002862263 471425543 /nfs/dbraw/zinc/42/55/43/471425543.db2.gz RZOQIJPWJHPDJO-UHFFFAOYSA-N 0 0 340.404 2.803 50 0 EFAARN Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccco1 ZINC000002865809 471425701 /nfs/dbraw/zinc/42/57/01/471425701.db2.gz PYIMIFXXOPXAGS-UHFFFAOYSA-N 0 0 343.364 2.779 50 0 EFAARN COc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000002882062 471426088 /nfs/dbraw/zinc/42/60/88/471426088.db2.gz RMSFZXQMLPKPGZ-UHFFFAOYSA-N 0 0 331.349 2.602 50 0 biogenic EFAARN CCC(=O)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000002883373 471426118 /nfs/dbraw/zinc/42/61/18/471426118.db2.gz LOKUKGVYIDCAJU-LBPRGKRZSA-N 0 0 344.230 2.503 50 0 EFAARN COC(=O)c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1C ZINC000002879321 471426482 /nfs/dbraw/zinc/42/64/82/471426482.db2.gz WKAISRJMDDOZMW-UHFFFAOYSA-N 0 0 326.352 2.992 50 0 EFAARN O=C(C(=O)N1CCOCC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000002873865 471426562 /nfs/dbraw/zinc/42/65/62/471426562.db2.gz KERBPIDAWSRRIX-UHFFFAOYSA-N 0 0 334.375 2.876 50 0 EFAARN Cn1c(C(=O)NC2CCCCCC2)cc2c1nc1ccccn1c2=O ZINC000002917038 471427472 /nfs/dbraw/zinc/42/74/72/471427472.db2.gz WKTJJVAZWPWDQH-UHFFFAOYSA-N 0 0 338.411 2.639 50 0 EFAARN CCc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3n2)cc1 ZINC000002961177 471428497 /nfs/dbraw/zinc/42/84/97/471428497.db2.gz BLGBKXACDYZPPE-UHFFFAOYSA-N 0 0 343.452 2.726 50 0 EFAARN COc1ccc(C(=O)NCCc2cn3cccc(C)c3n2)cc1OC ZINC000002960978 471429031 /nfs/dbraw/zinc/42/90/31/471429031.db2.gz ANFXDCMCTHMYNS-UHFFFAOYSA-N 0 0 339.395 2.632 50 0 EFAARN COc1cccc(OCCOCCOc2ccc(C=O)cc2OC)c1 ZINC000002987076 471430260 /nfs/dbraw/zinc/43/02/60/471430260.db2.gz CCEFKHCFAQTHOH-UHFFFAOYSA-N 0 0 346.379 2.991 50 0 EFAARN COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000002993610 471430362 /nfs/dbraw/zinc/43/03/62/471430362.db2.gz PABYAIRHURJIHS-UHFFFAOYSA-N 0 0 332.787 2.912 50 0 EFAARN COc1ccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000002994288 471430450 /nfs/dbraw/zinc/43/04/50/471430450.db2.gz OVXLSKZXKXPYLD-UHFFFAOYSA-N 0 0 326.396 2.875 50 0 EFAARN COCCCNC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000003003317 471430503 /nfs/dbraw/zinc/43/05/03/471430503.db2.gz KDAXYVARBXACQD-UHFFFAOYSA-N 0 0 330.222 2.597 50 0 EFAARN C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccnn1S(C)(=O)=O ZINC000003016424 471430670 /nfs/dbraw/zinc/43/06/70/471430670.db2.gz JFGCZYJPVCDKRX-SECBINFHSA-N 0 0 334.319 2.850 50 0 EFAARN Cc1ccc(OCCNC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000002995723 471430714 /nfs/dbraw/zinc/43/07/14/471430714.db2.gz UQIRJCIMTVZVOE-UHFFFAOYSA-N 0 0 332.787 2.782 50 0 EFAARN CCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000003041699 471431747 /nfs/dbraw/zinc/43/17/47/471431747.db2.gz BESONXPVUJBJPG-UHFFFAOYSA-N 0 0 325.195 2.953 50 0 EFAARN O=C(NCCc1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000003061938 471431911 /nfs/dbraw/zinc/43/19/11/471431911.db2.gz JOBMZWSYKQRERP-UHFFFAOYSA-N 0 0 347.212 2.747 50 0 EFAARN CCNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003041676 471432465 /nfs/dbraw/zinc/43/24/65/471432465.db2.gz UEQULIOSKCZHSI-UHFFFAOYSA-N 0 0 325.195 2.953 50 0 EFAARN COc1ccc(C(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000003145703 471434816 /nfs/dbraw/zinc/43/48/16/471434816.db2.gz GFBDLUVIZBNQGM-UHFFFAOYSA-N 0 0 326.352 2.865 50 0 EFAARN O=C(COC(=O)c1cncc(Br)c1)Nc1ccccc1 ZINC000003235130 471437792 /nfs/dbraw/zinc/43/77/92/471437792.db2.gz PJEHQMICFGXQIR-UHFFFAOYSA-N 0 0 335.157 2.640 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000003262150 471439878 /nfs/dbraw/zinc/43/98/78/471439878.db2.gz VZNBYMSSIZUTBZ-UHFFFAOYSA-N 0 0 348.305 2.719 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000003262149 471440092 /nfs/dbraw/zinc/44/00/92/471440092.db2.gz KMDDPBUYSYVLHW-UHFFFAOYSA-N 0 0 330.315 2.580 50 0 EFAARN O=C(COC(=O)c1ccc(Cl)nc1)NCc1ccccc1Cl ZINC000003312971 471442016 /nfs/dbraw/zinc/44/20/16/471442016.db2.gz VBNSIADHUWZMNS-UHFFFAOYSA-N 0 0 339.178 2.862 50 0 EFAARN O=C(COC(=O)c1cccnc1Cl)Nc1ccc(F)cc1F ZINC000003312955 471442037 /nfs/dbraw/zinc/44/20/37/471442037.db2.gz PYQDNGGVYHUFTI-UHFFFAOYSA-N 0 0 326.686 2.809 50 0 EFAARN COc1ccccc1NC(=O)COC(=O)c1cccc(OC)c1OC ZINC000003385514 471443038 /nfs/dbraw/zinc/44/30/38/471443038.db2.gz YCLILBXJDSXNJK-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl ZINC000003348322 471443284 /nfs/dbraw/zinc/44/32/84/471443284.db2.gz FOCSHLKQLOEQJV-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000003397783 471444567 /nfs/dbraw/zinc/44/45/67/471444567.db2.gz MUTODCHPSQZPFV-UHFFFAOYSA-N 0 0 347.342 2.947 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1 ZINC000003391117 471444574 /nfs/dbraw/zinc/44/45/74/471444574.db2.gz YZVWTJYAULBKCM-KPKJPENVSA-N 0 0 338.363 2.840 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2C)c(OC)c1 ZINC000003386764 471444703 /nfs/dbraw/zinc/44/47/03/471444703.db2.gz LVWZNOPPGYULON-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(C)c1 ZINC000003443126 471446423 /nfs/dbraw/zinc/44/64/23/471446423.db2.gz WZOQJFRASHSRRV-UHFFFAOYSA-N 0 0 327.336 2.577 50 0 EFAARN Cc1cc(NC(=O)COC(=O)c2ccccc2Br)no1 ZINC000003506802 471449111 /nfs/dbraw/zinc/44/91/11/471449111.db2.gz SYGGWYNHZHZYTD-UHFFFAOYSA-N 0 0 339.145 2.541 50 0 EFAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccccc1 ZINC000003505098 471449494 /nfs/dbraw/zinc/44/94/94/471449494.db2.gz CVBPVPQOENIWLF-INIZCTEOSA-N 0 0 341.388 2.916 50 0 EFAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000003555666 471452647 /nfs/dbraw/zinc/45/26/47/471452647.db2.gz HQXLYIVXANLZNG-UHFFFAOYSA-N 0 0 348.424 2.588 50 0 EFAARN O=C(COC(=O)c1nc(Cl)ccc1Cl)NC1CCCCC1 ZINC000003600179 471453608 /nfs/dbraw/zinc/45/36/08/471453608.db2.gz NARLLRAJCILBMV-UHFFFAOYSA-N 0 0 331.199 2.994 50 0 EFAARN COc1ccccc1CNC(=O)COC(=O)c1ccccc1Cl ZINC000003619042 471453753 /nfs/dbraw/zinc/45/37/53/471453753.db2.gz VGBCRILCIPTSBH-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN COc1ccccc1/C=c1\sc2nnc(-c3cccc(C)c3)n2c1=O ZINC000003651601 471455576 /nfs/dbraw/zinc/45/55/76/471455576.db2.gz HKTBVPANTREJOF-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN COc1cc2ncc(C(=O)c3ccc(F)cc3)c(O)c2cc1OC ZINC000003906904 471456551 /nfs/dbraw/zinc/45/65/51/471456551.db2.gz AGNQIPOWIYZDES-UHFFFAOYSA-N 0 0 327.311 2.915 50 0 EFAARN Cc1ccc(C(=O)N[C@@H](C(N)=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004006231 471457104 /nfs/dbraw/zinc/45/71/04/471457104.db2.gz RVXTZIYTPFSFIV-SOZFHFLDSA-N 0 0 326.440 2.795 50 0 EFAARN COc1ccc(-c2cc(C(=O)NCc3ccco3)no2)cc1OC ZINC000003908069 471457117 /nfs/dbraw/zinc/45/71/17/471457117.db2.gz BWFWHBQXIJPVHV-UHFFFAOYSA-N 0 0 328.324 2.882 50 0 EFAARN CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccnc1 ZINC000003984978 471457210 /nfs/dbraw/zinc/45/72/10/471457210.db2.gz WWRVHOKDVSCDKV-UHFFFAOYSA-N 0 0 337.379 2.594 50 0 biogenic EFAARN Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1N ZINC000003885505 471457514 /nfs/dbraw/zinc/45/75/14/471457514.db2.gz GYPWNSMTTFOWFB-UHFFFAOYSA-N 0 0 331.319 2.671 50 0 EFAARN CCOC(=O)CCCNC(=O)c1c(Cl)n(C)nc1-c1ccccc1 ZINC000004072958 471458228 /nfs/dbraw/zinc/45/82/28/471458228.db2.gz NHVYAEIVZUJJOY-UHFFFAOYSA-N 0 0 349.818 2.814 50 0 EFAARN COc1ccc2c(C)c(CC(=O)NCc3ccco3)c(=O)oc2c1 ZINC000004088801 471458259 /nfs/dbraw/zinc/45/82/59/471458259.db2.gz ZTUOLQKEEPYBPJ-UHFFFAOYSA-N 0 0 327.336 2.562 50 0 biogenic EFAARN COCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1 ZINC000004053833 471458319 /nfs/dbraw/zinc/45/83/19/471458319.db2.gz HJAUFIGMQNFCRD-UHFFFAOYSA-N 0 0 343.402 2.737 50 0 EFAARN CC(C)OC(=O)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 ZINC000004073565 471458566 /nfs/dbraw/zinc/45/85/66/471458566.db2.gz PKVULUIFJDQCRJ-HXUWFJFHSA-N 0 0 330.818 2.923 50 0 EFAARN O=C(CN(CCO)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004083088 471458696 /nfs/dbraw/zinc/45/86/96/471458696.db2.gz OGTVCCOFAQXJEB-UHFFFAOYSA-N 0 0 328.456 2.570 50 0 EFAARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC)C(C)=Nc2ncnn21 ZINC000004071528 471458749 /nfs/dbraw/zinc/45/87/49/471458749.db2.gz RJPRWCRIGUHWIX-MRXNPFEDSA-N 0 0 342.399 2.919 50 0 EFAARN CCCCCN1CC(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004029736 471458960 /nfs/dbraw/zinc/45/89/60/471458960.db2.gz HIYRKQLAKBADOK-FQEVSTJZSA-N 0 0 339.439 2.800 50 0 biogenic EFAARN CC1=NN(C(=S)NCc2ccccc2)[C@]2(O)C[C@@H]3[C@H]([C@H]12)C3(C)C ZINC000004029677 471459085 /nfs/dbraw/zinc/45/90/85/471459085.db2.gz JUSBNFHLNFHRDG-FSZRXZPDSA-N 0 0 329.469 2.733 50 0 biogenic EFAARN CC(C)c1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1 ZINC000004072263 471459151 /nfs/dbraw/zinc/45/91/51/471459151.db2.gz AISXUWUVMDNJND-UHFFFAOYSA-N 0 0 344.396 2.567 50 0 EFAARN O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004122166 471459517 /nfs/dbraw/zinc/45/95/17/471459517.db2.gz RIDRAXLVGKRJCK-KRWDZBQOSA-N 0 0 340.379 2.713 50 0 EFAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH2+]CCc1ccccc1 ZINC000004108277 471459537 /nfs/dbraw/zinc/45/95/37/471459537.db2.gz CQWMYAPQINKJRK-OAHLLOKOSA-N 0 0 337.423 2.583 50 0 EFAARN CCC(CC)C(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004102063 471459819 /nfs/dbraw/zinc/45/98/19/471459819.db2.gz BJUFBUYLSAPFNL-HNNXBMFYSA-N 0 0 325.405 2.906 50 0 EFAARN CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1 ZINC000004141170 471460164 /nfs/dbraw/zinc/46/01/64/471460164.db2.gz TZKPETAOAVOWID-KRWDZBQOSA-N 0 0 346.427 2.845 50 0 EFAARN O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004122168 471460323 /nfs/dbraw/zinc/46/03/23/471460323.db2.gz RIDRAXLVGKRJCK-QGZVFWFLSA-N 0 0 340.379 2.713 50 0 EFAARN CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000004156508 471460370 /nfs/dbraw/zinc/46/03/70/471460370.db2.gz VNBWRUUAHODFIL-ZDUSSCGKSA-N 0 0 340.832 2.874 50 0 EFAARN COc1ccc(CNC(=O)[C@@H](OC(C)=O)c2c(F)cccc2F)cc1 ZINC000004109929 471460412 /nfs/dbraw/zinc/46/04/12/471460412.db2.gz 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/nfs/dbraw/zinc/46/37/92/471463792.db2.gz QRJQRCHTPDMBDV-MQDFFIGUSA-N 0 0 330.384 2.833 50 0 EFAARN CCc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1 ZINC000004356285 471463841 /nfs/dbraw/zinc/46/38/41/471463841.db2.gz GVNNYKLIDWQZQP-UHFFFAOYSA-N 0 0 343.452 2.657 50 0 EFAARN C[C@@H]1CN(c2ncnc3c2cnn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000004354566 471463908 /nfs/dbraw/zinc/46/39/08/471463908.db2.gz JFMWSKAGSMRHTQ-TXEJJXNPSA-N 0 0 327.363 2.568 50 0 EFAARN O=c1c2nnn(-c3cccc(F)c3)c2ncn1C/C=C/c1ccccc1 ZINC000004341789 471463952 /nfs/dbraw/zinc/46/39/52/471463952.db2.gz UYFDUAVWFRDONB-VMPITWQZSA-N 0 0 347.353 2.830 50 0 EFAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c(OCC)c1 ZINC000004380863 471463965 /nfs/dbraw/zinc/46/39/65/471463965.db2.gz GBFMQHDABIEVIW-INIZCTEOSA-N 0 0 348.399 2.762 50 0 EFAARN CC(=O)Nc1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000004349887 471463969 /nfs/dbraw/zinc/46/39/69/471463969.db2.gz IQQBTBDDKFRBEH-UHFFFAOYSA-N 0 0 326.352 2.865 50 0 EFAARN CC[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)OC ZINC000004341605 471464066 /nfs/dbraw/zinc/46/40/66/471464066.db2.gz UARLIUBDMDFLAK-ZDUSSCGKSA-N 0 0 346.387 2.998 50 0 EFAARN COc1ccccc1-c1nnc(NC(=O)COc2ccccc2)o1 ZINC000004329808 471464161 /nfs/dbraw/zinc/46/41/61/471464161.db2.gz XVMHYSXGHVSLRA-UHFFFAOYSA-N 0 0 325.324 2.763 50 0 EFAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1 ZINC000004384898 471464246 /nfs/dbraw/zinc/46/42/46/471464246.db2.gz MKZQCIGKHZKINJ-UHFFFAOYSA-N 0 0 340.832 2.921 50 0 EFAARN O=C(NCCC1=CCCCC1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000004359860 471464514 /nfs/dbraw/zinc/46/45/14/471464514.db2.gz ODERRFVSPQYYQB-MRXNPFEDSA-N 0 0 327.428 2.982 50 0 EFAARN Cc1ccc(N2C[C@@H](NC(=O)NCc3cccs3)CC2=O)cc1 ZINC000004359989 471464524 /nfs/dbraw/zinc/46/45/24/471464524.db2.gz JMDCRVMYXJZDOV-ZDUSSCGKSA-N 0 0 329.425 2.661 50 0 EFAARN COc1cccc(OCCSc2nnc(-c3ccccc3)n2N)c1 ZINC000004454470 471465086 /nfs/dbraw/zinc/46/50/86/471465086.db2.gz HIIYMYQJQKGMAM-UHFFFAOYSA-N 0 0 342.424 2.839 50 0 EFAARN COC(=O)c1sccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000004483427 471465370 /nfs/dbraw/zinc/46/53/70/471465370.db2.gz HWJZGOAKOHKGJK-UHFFFAOYSA-N 0 0 325.411 2.501 50 0 EFAARN CCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000004410097 471465518 /nfs/dbraw/zinc/46/55/18/471465518.db2.gz YYHQPNJALWCXMP-UHFFFAOYSA-N 0 0 327.793 2.746 50 0 EFAARN COc1ccc(N2C[C@H](NC(=O)N3[C@H](C)CCC[C@H]3C)CC2=O)cc1 ZINC000004479544 471465662 /nfs/dbraw/zinc/46/56/62/471465662.db2.gz BQUPNBOBMQVGJK-RBSFLKMASA-N 0 0 345.443 2.773 50 0 EFAARN COc1cc([C@H]([NH3+])CC(=O)[O-])ccc1OCc1cnc(Cl)s1 ZINC000004408477 471465808 /nfs/dbraw/zinc/46/58/08/471465808.db2.gz ZHJHJKWOHLTZEQ-SNVBAGLBSA-N 0 0 342.804 2.859 50 0 EFAARN Cc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1Br ZINC000004392685 471465892 /nfs/dbraw/zinc/46/58/92/471465892.db2.gz TTXDRAMYGPPKKC-SNVBAGLBSA-N 0 0 346.246 2.521 50 0 EFAARN CCc1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000004469362 471466010 /nfs/dbraw/zinc/46/60/10/471466010.db2.gz WSMNTTZLHSIXGZ-UHFFFAOYSA-N 0 0 343.427 2.688 50 0 EFAARN O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000004487353 471466533 /nfs/dbraw/zinc/46/65/33/471466533.db2.gz QVSVOVKLMNVGED-UHFFFAOYSA-N 0 0 338.194 2.548 50 0 EFAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004511087 471466553 /nfs/dbraw/zinc/46/65/53/471466553.db2.gz UOYXBPVVWWIHAH-LLVKDONJSA-N 0 0 342.326 2.546 50 0 EFAARN O=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1Cl ZINC000004512002 471466599 /nfs/dbraw/zinc/46/65/99/471466599.db2.gz DRAYOYSWBFVMQI-UHFFFAOYSA-N 0 0 334.162 2.981 50 0 EFAARN Cc1ccc(-c2csc(NC(=O)CSc3nncn3C)n2)cc1 ZINC000004503379 471466716 /nfs/dbraw/zinc/46/67/16/471466716.db2.gz AFFRPDOQJJURGP-UHFFFAOYSA-N 0 0 345.453 2.978 50 0 EFAARN CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1 ZINC000004487335 471466758 /nfs/dbraw/zinc/46/67/58/471466758.db2.gz VWQZIOHOLLOUPT-UHFFFAOYSA-N 0 0 325.412 2.539 50 0 EFAARN Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3n3nnnc23)n1 ZINC000004511137 471466861 /nfs/dbraw/zinc/46/68/61/471466861.db2.gz WUBOASZHKUJHBI-UHFFFAOYSA-N 0 0 334.170 2.782 50 0 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/nfs/dbraw/zinc/57/14/51/471571451.db2.gz HSVSXNRNRVMKFG-UHFFFAOYSA-N 0 0 329.303 2.520 50 0 EFAARN Cc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000006810270 471571846 /nfs/dbraw/zinc/57/18/46/471571846.db2.gz MXTJSQRZFVCTSZ-MRXNPFEDSA-N 0 0 347.436 2.726 50 0 EFAARN Cc1ccc2occ(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000006809733 471572167 /nfs/dbraw/zinc/57/21/67/471572167.db2.gz USKFBWNZUSIQRF-UHFFFAOYSA-N 0 0 344.392 2.570 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 ZINC000006823125 471572632 /nfs/dbraw/zinc/57/26/32/471572632.db2.gz YWSIYUVMCBMCPK-UHFFFAOYSA-N 0 0 336.351 2.696 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000006831415 471573522 /nfs/dbraw/zinc/57/35/22/471573522.db2.gz DSAGPMKHAPGPJW-UHFFFAOYSA-N 0 0 338.407 2.860 50 0 EFAARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)c2ccccc21 ZINC000006849120 471573859 /nfs/dbraw/zinc/57/38/59/471573859.db2.gz QLRGCOJGRNVKJZ-KRWDZBQOSA-N 0 0 340.379 2.992 50 0 EFAARN COc1ccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)cc1 ZINC000006868291 471574975 /nfs/dbraw/zinc/57/49/75/471574975.db2.gz XCKXGBLRKZOJFY-UHFFFAOYSA-N 0 0 340.368 2.637 50 0 EFAARN COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000006928349 471578581 /nfs/dbraw/zinc/57/85/81/471578581.db2.gz XMFNWUGXDIPNJY-UONOGXRCSA-N 0 0 339.395 2.508 50 0 biogenic EFAARN COc1ccccc1CC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000007035283 471585699 /nfs/dbraw/zinc/58/56/99/471585699.db2.gz LYKBTJUSCKAIML-UHFFFAOYSA-N 0 0 341.363 2.622 50 0 EFAARN O=C1Nc2ccccc2CC[C@H]1Sc1n[nH]c(-c2ccncc2)n1 ZINC000007041250 471586177 /nfs/dbraw/zinc/58/61/77/471586177.db2.gz JYWQQVZZGSWCID-CQSZACIVSA-N 0 0 337.408 2.912 50 0 EFAARN Cc1nnc(SCC(=O)Nc2cccc(Br)c2)n1C ZINC000007234974 471599170 /nfs/dbraw/zinc/59/91/70/471599170.db2.gz PCXZNHIZYGXYPR-UHFFFAOYSA-N 0 0 341.234 2.617 50 0 EFAARN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000007262430 471602494 /nfs/dbraw/zinc/60/24/94/471602494.db2.gz AISWOMPXOHWVGC-UHFFFAOYSA-N 0 0 332.425 2.936 50 0 EFAARN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2)c1 ZINC000007389406 471610928 /nfs/dbraw/zinc/61/09/28/471610928.db2.gz KIQBKZFHDZNCGD-UHFFFAOYSA-N 0 0 340.379 2.562 50 0 EFAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccco3)c(O)c12 ZINC000007424088 471612940 /nfs/dbraw/zinc/61/29/40/471612940.db2.gz DZJMRUXVEKNXJG-UHFFFAOYSA-N 0 0 348.362 2.545 50 0 EFAARN CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2OC)cc1 ZINC000007484201 471617245 /nfs/dbraw/zinc/61/72/45/471617245.db2.gz SASRDJNIAAYSCV-UHFFFAOYSA-N 0 0 343.379 2.567 50 0 EFAARN CCOc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 ZINC000007514915 471619307 /nfs/dbraw/zinc/61/93/07/471619307.db2.gz NANSVQJSLFIXRX-UHFFFAOYSA-N 0 0 331.343 2.949 50 0 EFAARN COc1ccc(C)cc1NC(=O)COC(=O)Cc1ccc(F)cc1 ZINC000007514881 471619795 /nfs/dbraw/zinc/61/97/95/471619795.db2.gz YRTLEWINOMOHOS-UHFFFAOYSA-N 0 0 331.343 2.867 50 0 EFAARN CC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000007669304 471630137 /nfs/dbraw/zinc/63/01/37/471630137.db2.gz KLDPUDZVUHZWSJ-KRWDZBQOSA-N 0 0 346.452 2.518 50 0 EFAARN Nc1nncn1C(=O)c1cc(Cl)ccc1OCc1ccccc1 ZINC000007699277 471630707 /nfs/dbraw/zinc/63/07/07/471630707.db2.gz ZJOPBPVRLFIWIA-UHFFFAOYSA-N 0 0 328.759 2.781 50 0 EFAARN CN(c1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708134 471631764 /nfs/dbraw/zinc/63/17/64/471631764.db2.gz JZPHAURMJCOKJF-UHFFFAOYSA-N 0 0 330.409 2.639 50 0 EFAARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000007708175 471632031 /nfs/dbraw/zinc/63/20/31/471632031.db2.gz FLMJESDWPBTTQC-UHFFFAOYSA-N 0 0 334.372 2.753 50 0 EFAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007753032 471635182 /nfs/dbraw/zinc/63/51/82/471635182.db2.gz FRZBTKSCMOWKRS-UHFFFAOYSA-N 0 0 348.355 2.780 50 0 EFAARN O=C(Nc1ccnn1Cc1cccs1)[C@@H]1COc2ccccc2O1 ZINC000007793989 471639540 /nfs/dbraw/zinc/63/95/40/471639540.db2.gz AMJMGVKDTRKVBE-HNNXBMFYSA-N 0 0 341.392 2.771 50 0 EFAARN COc1ccc(OCCNC(=O)COc2ccc(Cl)cc2)cc1 ZINC000007815287 471640252 /nfs/dbraw/zinc/64/02/52/471640252.db2.gz TYGCWMBIMSGKQB-UHFFFAOYSA-N 0 0 335.787 2.923 50 0 EFAARN COc1ccccc1CNC(=O)[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000008021041 471655968 /nfs/dbraw/zinc/65/59/68/471655968.db2.gz IJOFLOXRFJEDFH-INIZCTEOSA-N 0 0 345.782 2.747 50 0 EFAARN CCc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000008014381 471656034 /nfs/dbraw/zinc/65/60/34/471656034.db2.gz FLRSZHLAPOHSDS-GFCCVEGCSA-N 0 0 340.379 2.986 50 0 EFAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000008016812 471656261 /nfs/dbraw/zinc/65/62/61/471656261.db2.gz SKRCGNXNEYZISZ-UHFFFAOYSA-N 0 0 329.425 2.688 50 0 EFAARN CCOc1ccccc1CN1c2ccccc2C2(OCCO2)C1=O ZINC000008046820 471657687 /nfs/dbraw/zinc/65/76/87/471657687.db2.gz NWXXECNCKAPSTI-UHFFFAOYSA-N 0 0 325.364 2.832 50 0 EFAARN COc1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000008111801 471663530 /nfs/dbraw/zinc/66/35/30/471663530.db2.gz DPRHMTQDRQDGCE-UHFFFAOYSA-N 0 0 331.368 2.651 50 0 EFAARN COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1Cl ZINC000008240453 471674033 /nfs/dbraw/zinc/67/40/33/471674033.db2.gz JKBGHPMWICEVDQ-UHFFFAOYSA-N 0 0 343.770 2.697 50 0 EFAARN Cc1csc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)n1 ZINC000008246194 471674333 /nfs/dbraw/zinc/67/43/33/471674333.db2.gz DBSDHTXIJSEWNS-CYBMUJFWSA-N 0 0 347.415 2.620 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000008278716 471676777 /nfs/dbraw/zinc/67/67/77/471676777.db2.gz JDVRRKBHQWPYDN-UHFFFAOYSA-N 0 0 345.443 2.868 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)ccc1OCC ZINC000008306784 471678951 /nfs/dbraw/zinc/67/89/51/471678951.db2.gz RGKIYCMOUWJMJR-MRXNPFEDSA-N 0 0 348.399 2.675 50 0 EFAARN Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)N2CCCC2)cc1 ZINC000008448674 471687762 /nfs/dbraw/zinc/68/77/62/471687762.db2.gz FGXAEHIESFRMHJ-QGOAFFKASA-N 0 0 335.407 2.783 50 0 EFAARN Cc1c(Cl)cccc1NC(=S)N1CCN(c2ncccn2)CC1 ZINC000008682408 471698315 /nfs/dbraw/zinc/69/83/15/471698315.db2.gz UVWSWGDBINBJJL-UHFFFAOYSA-N 0 0 347.875 2.957 50 0 EFAARN CCCOc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000008714728 471699798 /nfs/dbraw/zinc/69/97/98/471699798.db2.gz DSZNXALLSCXTPZ-HUUCEWRRSA-N 0 0 341.473 2.890 50 0 EFAARN COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C ZINC000008715159 471700410 /nfs/dbraw/zinc/70/04/10/471700410.db2.gz QANDUPYTUSCTJR-UHFFFAOYSA-N 0 0 336.351 2.615 50 0 EFAARN COCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000008723151 471700709 /nfs/dbraw/zinc/70/07/09/471700709.db2.gz KPRYOFBBENOFOY-UHFFFAOYSA-N 0 0 331.368 2.981 50 0 EFAARN CCCOc1ccc(C(=O)N2CCOCC2)cc1Br ZINC000008722931 471701710 /nfs/dbraw/zinc/70/17/10/471701710.db2.gz LCGVSMOOKQUYRA-UHFFFAOYSA-N 0 0 328.206 2.710 50 0 EFAARN Cc1cccc(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1C ZINC000008742829 471704122 /nfs/dbraw/zinc/70/41/22/471704122.db2.gz DCDSXPSQNALLTE-UHFFFAOYSA-N 0 0 338.455 2.868 50 0 EFAARN O=C1C[C@@H](c2ccc(O)cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000008743167 471704162 /nfs/dbraw/zinc/70/41/62/471704162.db2.gz XDMACCHKUGXZML-AWEZNQCLSA-N 0 0 333.347 2.617 50 0 EFAARN CC(=O)c1sc(NC(=O)Cn2c3ccccc3sc2=O)nc1C ZINC000008742507 471704232 /nfs/dbraw/zinc/70/42/32/471704232.db2.gz JXWBWAHTVVTNGX-UHFFFAOYSA-N 0 0 347.421 2.669 50 0 EFAARN CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)C2CCCCC2)c1C ZINC000008768886 471704762 /nfs/dbraw/zinc/70/47/62/471704762.db2.gz DFOWLSCIJYGCFQ-UHFFFAOYSA-N 0 0 341.477 2.751 50 0 EFAARN O=C(NCCc1ccccc1)NC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000008839122 471704977 /nfs/dbraw/zinc/70/49/77/471704977.db2.gz HWJCUCXAPRHZGC-QGZVFWFLSA-N 0 0 339.395 2.554 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccsc2)n2nnnc2N1 ZINC000008770820 471705343 /nfs/dbraw/zinc/70/53/43/471705343.db2.gz LGYRNALTVSEFRU-CQSZACIVSA-N 0 0 338.396 2.662 50 0 EFAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=S)N(C)C)c1 ZINC000008830107 471705506 /nfs/dbraw/zinc/70/55/06/471705506.db2.gz ITKWBJOJBMUWRV-UHFFFAOYSA-N 0 0 338.436 2.762 50 0 EFAARN CC1=C(C(N)=O)[C@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 ZINC000008843543 471705939 /nfs/dbraw/zinc/70/59/39/471705939.db2.gz DLDIYNYKTASWOW-KRWDZBQOSA-N 0 0 347.378 2.845 50 0 EFAARN Cc1coc2cc3oc(=O)c(CC(=O)NC(C)(C)CO)c(C)c3cc12 ZINC000008879544 471706491 /nfs/dbraw/zinc/70/64/91/471706491.db2.gz DSXWWORIUUUTLT-UHFFFAOYSA-N 0 0 343.379 2.586 50 0 biogenic EFAARN COc1cccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C)c1 ZINC000008845535 471706847 /nfs/dbraw/zinc/70/68/47/471706847.db2.gz XTDJNRXWCUMMTK-GOSISDBHSA-N 0 0 335.363 2.966 50 0 EFAARN CN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 ZINC000008962424 471707508 /nfs/dbraw/zinc/70/75/08/471707508.db2.gz TYBIBQZCKGHYHD-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C(=O)NC1CC1 ZINC000008971490 471707598 /nfs/dbraw/zinc/70/75/98/471707598.db2.gz VPKAEBOWVVCCOD-UHFFFAOYSA-N 0 0 345.468 2.828 50 0 EFAARN Cc1ccc(C(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000008981600 471707855 /nfs/dbraw/zinc/70/78/55/471707855.db2.gz UPTDJHXTNJRWRI-CQSZACIVSA-N 0 0 326.371 2.917 50 0 EFAARN Cc1cc(N2CCN(C(=O)c3ccccn3)CC2)nc2ccccc12 ZINC000008991877 471708288 /nfs/dbraw/zinc/70/82/88/471708288.db2.gz IKMXRIWVIYMWQV-UHFFFAOYSA-N 0 0 332.407 2.901 50 0 EFAARN CNC(=O)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000008972314 471708422 /nfs/dbraw/zinc/70/84/22/471708422.db2.gz CADKDMDLAMDPKU-UHFFFAOYSA-N 0 0 333.457 2.686 50 0 EFAARN Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)nn1C ZINC000009001755 471708857 /nfs/dbraw/zinc/70/88/57/471708857.db2.gz DUBLMSUBGPNSTB-UHFFFAOYSA-N 0 0 342.380 2.833 50 0 EFAARN COc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3)CC2=O)cc1 ZINC000009039096 471708923 /nfs/dbraw/zinc/70/89/23/471708923.db2.gz PZDXYLBJPBEEFJ-AWEZNQCLSA-N 0 0 339.395 2.870 50 0 EFAARN CC[C@H](C(=O)N[C@H](C)c1ccccc1)n1nnc2ccccc2c1=O ZINC000009025749 471709032 /nfs/dbraw/zinc/70/90/32/471709032.db2.gz RKOVUPNRJCLJOM-CXAGYDPISA-N 0 0 336.395 2.620 50 0 EFAARN Fc1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)cc1 ZINC000009059923 471709869 /nfs/dbraw/zinc/70/98/69/471709869.db2.gz ZHWSEXJPODYRQQ-UHFFFAOYSA-N 0 0 326.360 2.970 50 0 EFAARN NC(=O)C1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 ZINC000009184391 471712219 /nfs/dbraw/zinc/71/22/19/471712219.db2.gz DZGOHICZOONOLT-UHFFFAOYSA-N 0 0 349.390 2.832 50 0 EFAARN CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 ZINC000009198177 471712323 /nfs/dbraw/zinc/71/23/23/471712323.db2.gz WPXUKNQGLOHDAM-GFCCVEGCSA-N 0 0 330.413 2.634 50 0 EFAARN CN(c1ccccc1)c1nc(-n2ccnc2)nc(N2CCCCC2)n1 ZINC000009190165 471712594 /nfs/dbraw/zinc/71/25/94/471712594.db2.gz LRMZHNMYDPWHLD-UHFFFAOYSA-N 0 0 335.415 2.816 50 0 EFAARN CCCC1=Nc2nc(C)nn2[C@@H](c2ccc(O)cc2)C1C(=O)OCC ZINC000009225361 471712665 /nfs/dbraw/zinc/71/26/65/471712665.db2.gz HZNLYFRDYXEMOP-INIZCTEOSA-N 0 0 342.399 2.924 50 0 EFAARN Cn1ncc2c1nc(NCCCO)nc2Nc1ccc(Cl)cc1 ZINC000009273187 471713179 /nfs/dbraw/zinc/71/31/79/471713179.db2.gz GLSVKHBALGTQKA-UHFFFAOYSA-N 0 0 332.795 2.555 50 0 EFAARN c1ccc2c(c1)nc1n2CN(Cc2cccnc2)CN1C[C@@H]1CCCO1 ZINC000009262119 471713766 /nfs/dbraw/zinc/71/37/66/471713766.db2.gz RLJAUVFULRGUHM-KRWDZBQOSA-N 0 0 349.438 2.848 50 0 EFAARN CCOC(=O)Cc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000009328257 471713801 /nfs/dbraw/zinc/71/38/01/471713801.db2.gz BQGLQGIUBOBCHH-UHFFFAOYSA-N 0 0 325.777 2.549 50 0 EFAARN Cc1ccccc1-c1nc2[nH]c(=O)cc(NC(=O)c3ccccc3)n2n1 ZINC000009334905 471714227 /nfs/dbraw/zinc/71/42/27/471714227.db2.gz RFXUVOOWQUMJKC-UHFFFAOYSA-N 0 0 345.362 2.645 50 0 EFAARN Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1Cc1ccccn1 ZINC000009355655 471714868 /nfs/dbraw/zinc/71/48/68/471714868.db2.gz ZECNOEJFZMCGRL-SFHVURJKSA-N 0 0 348.358 2.565 50 0 EFAARN CCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn21 ZINC000009348485 471714934 /nfs/dbraw/zinc/71/49/34/471714934.db2.gz GEETZZHLTYZSMF-UHFFFAOYSA-N 0 0 345.790 2.867 50 0 EFAARN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000009341111 471714947 /nfs/dbraw/zinc/71/49/47/471714947.db2.gz ZTFBVKUEFFTCOE-CQSZACIVSA-N 0 0 332.419 2.936 50 0 EFAARN O=C(COCC(=O)Nc1ccccc1)NCCc1ccc(Cl)cc1 ZINC000009355379 471715602 /nfs/dbraw/zinc/71/56/02/471715602.db2.gz LMPXZFDHNNXUNH-UHFFFAOYSA-N 0 0 346.814 2.654 50 0 EFAARN CC(=O)Nc1ccccc1C(=O)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009484428 471716768 /nfs/dbraw/zinc/71/67/68/471716768.db2.gz QKXKGADFUHGXJS-UHFFFAOYSA-N 0 0 349.390 2.668 50 0 biogenic EFAARN O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCC(O)CC1 ZINC000009481898 471717105 /nfs/dbraw/zinc/71/71/05/471717105.db2.gz OFZKTTHCSWOQOJ-UHFFFAOYSA-N 0 0 327.409 2.684 50 0 EFAARN O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000009570874 471717726 /nfs/dbraw/zinc/71/77/26/471717726.db2.gz NQVUTHYBJFKEJS-UHFFFAOYSA-N 0 0 349.728 2.524 50 0 EFAARN CCCC(CCC)C(=O)NCc1nnnn1-c1ccc(OCC)cc1 ZINC000009570435 471717931 /nfs/dbraw/zinc/71/79/31/471717931.db2.gz HORLMFXNXWBUKA-UHFFFAOYSA-N 0 0 345.447 2.894 50 0 EFAARN C[C@@H](NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N)c1ccccc1 ZINC000009575324 471718083 /nfs/dbraw/zinc/71/80/83/471718083.db2.gz QRSOHAIWYKLBRO-LLVKDONJSA-N 0 0 341.802 2.994 50 0 EFAARN COc1ccc(CCNc2nc(Cl)nc3nc[nH]c32)cc1OC ZINC000009547294 471718104 /nfs/dbraw/zinc/71/81/04/471718104.db2.gz IHMSHEOFUXSMNE-UHFFFAOYSA-N 0 0 333.779 2.678 50 0 EFAARN Cc1cccc(-c2nc(SCC(=O)Nc3nccs3)n[nH]2)c1 ZINC000009582281 471718159 /nfs/dbraw/zinc/71/81/59/471718159.db2.gz FWZSODKQAIZUSY-UHFFFAOYSA-N 0 0 331.426 2.967 50 0 EFAARN Cc1csc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)n1 ZINC000009576113 471718182 /nfs/dbraw/zinc/71/81/82/471718182.db2.gz AHJHRBLYFBCSOU-UHFFFAOYSA-N 0 0 330.365 2.753 50 0 EFAARN O=C(Cc1ccc2c(c1)OCO2)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000009521639 471718415 /nfs/dbraw/zinc/71/84/15/471718415.db2.gz SUJRNHZRINKDRS-UHFFFAOYSA-N 0 0 341.298 2.786 50 0 EFAARN Cc1ccc(-n2nnnc2CNC(=O)c2cc3ccccc3o2)cc1 ZINC000009570619 471718787 /nfs/dbraw/zinc/71/87/87/471718787.db2.gz FYDIKACSCSCFKV-UHFFFAOYSA-N 0 0 333.351 2.647 50 0 EFAARN O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000009571027 471718870 /nfs/dbraw/zinc/71/88/70/471718870.db2.gz XRADEDPEPCICDC-UHFFFAOYSA-N 0 0 347.353 2.885 50 0 EFAARN O=C(NCc1nnnn1-c1ccc(F)cc1)Nc1ccccc1Cl ZINC000009616629 471719585 /nfs/dbraw/zinc/71/95/85/471719585.db2.gz AUUKRNCTIHOHGZ-UHFFFAOYSA-N 0 0 346.753 2.777 50 0 EFAARN O=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccc(Cl)cc1 ZINC000009615819 471720062 /nfs/dbraw/zinc/72/00/62/471720062.db2.gz VCSVASNUOGSJRM-UHFFFAOYSA-N 0 0 346.753 2.777 50 0 EFAARN Cn1cnnc1SCCC(=O)Nc1ccc(Br)cc1 ZINC000009614774 471720261 /nfs/dbraw/zinc/72/02/61/471720261.db2.gz ZXLZOYZRIRGVTA-UHFFFAOYSA-N 0 0 341.234 2.699 50 0 EFAARN O=C1CN(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2N1 ZINC000009695001 471721149 /nfs/dbraw/zinc/72/11/49/471721149.db2.gz CKOGUFLRBOQVAO-UHFFFAOYSA-N 0 0 336.800 2.629 50 0 EFAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000009827770 471722383 /nfs/dbraw/zinc/72/23/83/471722383.db2.gz AYUQTQIMRXZQCH-UHFFFAOYSA-N 0 0 326.352 2.841 50 0 EFAARN COc1ccc(OC)c(NC(=O)NCCOc2ccccc2OC)c1 ZINC000009874855 471722812 /nfs/dbraw/zinc/72/28/12/471722812.db2.gz NXVWZBXOKNVRJT-UHFFFAOYSA-N 0 0 346.383 2.913 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 ZINC000009909966 471722907 /nfs/dbraw/zinc/72/29/07/471722907.db2.gz ONVDNHZFSYQOTK-UHFFFAOYSA-N 0 0 342.786 2.514 50 0 EFAARN CCOCCCNC(=O)[C@@H](NC(=O)c1ccc(CC)cc1)C(C)C ZINC000009892200 471722917 /nfs/dbraw/zinc/72/29/17/471722917.db2.gz HKGYFFKYAVODCP-KRWDZBQOSA-N 0 0 334.460 2.546 50 0 EFAARN CCC(=O)Nc1cc(NC(=O)CSc2nccn2C)ccc1OC ZINC000009928130 471723655 /nfs/dbraw/zinc/72/36/55/471723655.db2.gz HKRSBMREYLXWRL-UHFFFAOYSA-N 0 0 348.428 2.508 50 0 EFAARN CCNC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 ZINC000009925627 471723860 /nfs/dbraw/zinc/72/38/60/471723860.db2.gz IBSRNXGXWRKCRB-LLVKDONJSA-N 0 0 328.206 2.757 50 0 EFAARN COc1ccc(-c2noc(CSc3nc(C)c(C)c(=O)[nH]3)n2)cc1 ZINC000009927241 471724273 /nfs/dbraw/zinc/72/42/73/471724273.db2.gz ORIUNTZYTABVJU-UHFFFAOYSA-N 0 0 344.396 2.738 50 0 EFAARN CCN1C(=O)Cc2cc(NS(=O)(=O)Cc3cccc(F)c3)ccc21 ZINC000010063745 471727551 /nfs/dbraw/zinc/72/75/51/471727551.db2.gz XYCGDPYXLVBFQW-UHFFFAOYSA-N 0 0 348.399 2.677 50 0 EFAARN Cc1nnc(NC(=O)c2ccc(=O)n(Cc3cccc(C)c3)c2)s1 ZINC000010187885 471730217 /nfs/dbraw/zinc/73/02/17/471730217.db2.gz FXTKLNTYXBETMK-UHFFFAOYSA-N 0 0 340.408 2.617 50 0 EFAARN Cc1ccccc1CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000010216413 471730476 /nfs/dbraw/zinc/73/04/76/471730476.db2.gz CYLCUTXVRRMYHB-UHFFFAOYSA-N 0 0 341.436 2.541 50 0 EFAARN CS(=O)(=O)N1CCCc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000010220791 471730746 /nfs/dbraw/zinc/73/07/46/471730746.db2.gz WKUQHKXWODXMGW-UHFFFAOYSA-N 0 0 336.457 2.918 50 0 EFAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000010302254 471732128 /nfs/dbraw/zinc/73/21/28/471732128.db2.gz LYNYIUUEOLVJEF-LBPRGKRZSA-N 0 0 344.864 2.649 50 0 EFAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2C)C1 ZINC000010302243 471732306 /nfs/dbraw/zinc/73/23/06/471732306.db2.gz HGLHMGYIEVOZNB-GFCCVEGCSA-N 0 0 344.864 2.649 50 0 EFAARN Nc1c(-c2nc(-c3ccc(F)cc3)no2)nnn1-c1ccc(F)cc1 ZINC000010273049 471732523 /nfs/dbraw/zinc/73/25/23/471732523.db2.gz QEUGGZLYKYPREZ-UHFFFAOYSA-N 0 0 340.293 2.845 50 0 EFAARN COc1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000010328187 471733270 /nfs/dbraw/zinc/73/32/70/471733270.db2.gz VDKPDZOJYNGUTB-UHFFFAOYSA-N 0 0 334.397 2.627 50 0 EFAARN CCc1ccccc1NC(=O)Cn1nnc(-c2ccccc2OC)n1 ZINC000010337520 471733284 /nfs/dbraw/zinc/73/32/84/471733284.db2.gz XKCJBVMIRWUKFS-UHFFFAOYSA-N 0 0 337.383 2.550 50 0 EFAARN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(F)cc1F ZINC000010334052 471733382 /nfs/dbraw/zinc/73/33/82/471733382.db2.gz OHPVOHXRYRCDLA-UHFFFAOYSA-N 0 0 340.351 2.897 50 0 EFAARN Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000010328169 471733422 /nfs/dbraw/zinc/73/34/22/471733422.db2.gz CAYBZOUDKLDUMU-ZDUSSCGKSA-N 0 0 332.425 2.858 50 0 EFAARN Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1NS(C)(=O)=O ZINC000010314687 471733450 /nfs/dbraw/zinc/73/34/50/471733450.db2.gz XAGDQXMIUCUKGQ-UHFFFAOYSA-N 0 0 340.351 2.897 50 0 EFAARN O=C(Nc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000010325987 471733841 /nfs/dbraw/zinc/73/38/41/471733841.db2.gz CEVXKELBHCFEHF-UHFFFAOYSA-N 0 0 341.348 2.602 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NCCC1=CCCCC1 ZINC000010326731 471733864 /nfs/dbraw/zinc/73/38/64/471733864.db2.gz DUTJFXCQWBCFEQ-UHFFFAOYSA-N 0 0 339.439 2.833 50 0 EFAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000010327801 471733929 /nfs/dbraw/zinc/73/39/29/471733929.db2.gz WEJWYOYMNYURAW-UHFFFAOYSA-N 0 0 326.324 2.589 50 0 EFAARN Cc1cccc(CC(=O)Nc2ccc(-c3ccc(=O)n(C)n3)cc2)c1 ZINC000010325295 471733938 /nfs/dbraw/zinc/73/39/38/471733938.db2.gz NJPNLRCUBNPBCY-UHFFFAOYSA-N 0 0 333.391 2.937 50 0 EFAARN CC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000010386220 471734700 /nfs/dbraw/zinc/73/47/00/471734700.db2.gz SUHYZZDOFOXJSU-NSHDSACASA-N 0 0 331.807 2.960 50 0 EFAARN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450857 471735939 /nfs/dbraw/zinc/73/59/39/471735939.db2.gz BSXKBWADEROCEI-ZWKOTPCHSA-N 0 0 344.455 2.658 50 0 EFAARN O=C(CCCS(=O)(=O)Cc1ccccc1)NCc1ccccc1 ZINC000010687313 471740431 /nfs/dbraw/zinc/74/04/31/471740431.db2.gz MUSSTNJLZPSWBN-UHFFFAOYSA-N 0 0 331.437 2.698 50 0 EFAARN CCN1C(=O)Cc2cc(NC(=O)COc3cccc(OC)c3)ccc21 ZINC000010825701 471742397 /nfs/dbraw/zinc/74/23/97/471742397.db2.gz DJRALFIQBYSQBW-UHFFFAOYSA-N 0 0 340.379 2.622 50 0 EFAARN CC(C)Cc1nnc2sc(Cc3ccc4c(c3)OCCO4)nn12 ZINC000011278960 471748728 /nfs/dbraw/zinc/74/87/28/471748728.db2.gz VERIIQAZQHAFGB-UHFFFAOYSA-N 0 0 330.413 2.746 50 0 EFAARN CN(C)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000011613112 471755482 /nfs/dbraw/zinc/75/54/82/471755482.db2.gz WIONOZSSGWDAQC-UHFFFAOYSA-N 0 0 335.407 2.660 50 0 EFAARN CCCOc1cc(S(=O)(=O)NC(C)C)ccc1Br ZINC000011614120 471755679 /nfs/dbraw/zinc/75/56/79/471755679.db2.gz CQFQSOVUAGXJPI-UHFFFAOYSA-N 0 0 336.251 2.925 50 0 EFAARN Cc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccon3)no2)cn1 ZINC000011667896 471756226 /nfs/dbraw/zinc/75/62/26/471756226.db2.gz JKTSUDCEEFPMAS-LBPRGKRZSA-N 0 0 342.355 2.778 50 0 EFAARN COc1cccc(OCc2nc(C(=O)N(C)Cc3ccon3)co2)c1 ZINC000011662235 471756424 /nfs/dbraw/zinc/75/64/24/471756424.db2.gz CUCXOYANXYJHPZ-UHFFFAOYSA-N 0 0 343.339 2.522 50 0 EFAARN O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1cccs1 ZINC000011697368 471757511 /nfs/dbraw/zinc/75/75/11/471757511.db2.gz GZPASACZCCLWEX-UHFFFAOYSA-N 0 0 340.412 2.519 50 0 EFAARN COc1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000011693780 471757642 /nfs/dbraw/zinc/75/76/42/471757642.db2.gz MTDVYAUMXBKLFT-KRWDZBQOSA-N 0 0 347.436 2.766 50 0 EFAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000011692315 471758240 /nfs/dbraw/zinc/75/82/40/471758240.db2.gz ZFMWAZWQMBYWBZ-INIZCTEOSA-N 0 0 343.427 2.823 50 0 biogenic EFAARN Cc1ccc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)cc1C ZINC000011693739 471758405 /nfs/dbraw/zinc/75/84/05/471758405.db2.gz FCFAXPSQOZTSCN-UHFFFAOYSA-N 0 0 339.439 2.667 50 0 EFAARN CCOc1ccc(NC(=O)CSc2ccc(NC(C)=O)nn2)cc1 ZINC000011738638 471759138 /nfs/dbraw/zinc/75/91/38/471759138.db2.gz RPIFGRUKFYBMIO-UHFFFAOYSA-N 0 0 346.412 2.565 50 0 EFAARN O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000011759002 471759217 /nfs/dbraw/zinc/75/92/17/471759217.db2.gz STITXWYXDQLMQH-ZDUSSCGKSA-N 0 0 337.366 2.813 50 0 EFAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2Cl)nn1 ZINC000011738798 471759342 /nfs/dbraw/zinc/75/93/42/471759342.db2.gz ARURKDUTAJKXCG-UHFFFAOYSA-N 0 0 336.804 2.819 50 0 EFAARN CCC(=O)Nc1ccc(SCC(=O)N2CCc3ccccc32)nn1 ZINC000011739012 471759415 /nfs/dbraw/zinc/75/94/15/471759415.db2.gz GDVWRQONYRLELE-UHFFFAOYSA-N 0 0 342.424 2.507 50 0 EFAARN CSCCC(=O)N1CCC[C@](CO)(CCOc2ccccc2)C1 ZINC000011878785 471759693 /nfs/dbraw/zinc/75/96/93/471759693.db2.gz WLTMMFLAWJLJQQ-SFHVURJKSA-N 0 0 337.485 2.810 50 0 EFAARN COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccncc2)CC3)c1 ZINC000011819530 471759870 /nfs/dbraw/zinc/75/98/70/471759870.db2.gz PZRDKKBZWOBBTM-UHFFFAOYSA-N 0 0 334.379 2.679 50 0 EFAARN Cc1sc(-c2ccccc2F)nc1C(=O)N1CCC(C(N)=O)CC1 ZINC000011865748 471759923 /nfs/dbraw/zinc/75/99/23/471759923.db2.gz VSWCJDABQRZORY-UHFFFAOYSA-N 0 0 347.415 2.595 50 0 EFAARN OCCN(Cc1nc(Cc2cccc(F)c2)no1)Cc1ccccc1 ZINC000011816347 471760115 /nfs/dbraw/zinc/76/01/15/471760115.db2.gz RSGLMLXXMDLJJF-UHFFFAOYSA-N 0 0 341.386 2.794 50 0 EFAARN COC(=O)COc1ccc2c(COc3cccc(OC)c3)noc2c1 ZINC000011853885 471760165 /nfs/dbraw/zinc/76/01/65/471760165.db2.gz UZXPFPIJJBWERC-UHFFFAOYSA-N 0 0 343.335 2.967 50 0 EFAARN COCCN(C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1)C(C)C ZINC000011844316 471760222 /nfs/dbraw/zinc/76/02/22/471760222.db2.gz TWYQHBSDGIBEOQ-KRWDZBQOSA-N 0 0 338.492 2.689 50 0 EFAARN OCCC[C@H]1CCCCN1Cc1nc(Cc2ccccc2F)no1 ZINC000011842459 471760231 /nfs/dbraw/zinc/76/02/31/471760231.db2.gz UCDBGWQGNHFLHO-OAHLLOKOSA-N 0 0 333.407 2.927 50 0 EFAARN CC[C@]1(CCC(=O)NCc2c[nH]nc2-c2ccccc2)CCC(=O)N1 ZINC000011785011 471760259 /nfs/dbraw/zinc/76/02/59/471760259.db2.gz ACKNMQBBVMIWSQ-IBGZPJMESA-N 0 0 340.427 2.532 50 0 EFAARN CSCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 ZINC000011785824 471760328 /nfs/dbraw/zinc/76/03/28/471760328.db2.gz VIQQUTOYYUAURW-CQSZACIVSA-N 0 0 328.437 2.840 50 0 EFAARN CSc1nnc(CN(C)Cc2ccsc2)n1C[C@@H]1CCCO1 ZINC000011784055 471760516 /nfs/dbraw/zinc/76/05/16/471760516.db2.gz LRLRJQSEROYBKQ-ZDUSSCGKSA-N 0 0 338.502 2.873 50 0 EFAARN O=C(NCc1ccco1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000011856525 471760608 /nfs/dbraw/zinc/76/06/08/471760608.db2.gz VJXHNLPIRRLSER-UHFFFAOYSA-N 0 0 325.320 2.742 50 0 EFAARN O=C(NCc1cccnc1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000011856523 471760637 /nfs/dbraw/zinc/76/06/37/471760637.db2.gz HQMNSJQBLFZTBH-UHFFFAOYSA-N 0 0 336.347 2.544 50 0 EFAARN COCc1ccc(C(=O)N2CCO[C@H](Cc3cccc(OC)c3)C2)o1 ZINC000011838821 471760706 /nfs/dbraw/zinc/76/07/06/471760706.db2.gz XYVGENPQMSWFJX-QGZVFWFLSA-N 0 0 345.395 2.518 50 0 EFAARN Cc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]1)CCC2 ZINC000011902888 471761057 /nfs/dbraw/zinc/76/10/57/471761057.db2.gz JPSFBPAARKYGNP-NSHDSACASA-N 0 0 329.425 2.686 50 0 EFAARN CCOC(=O)c1cnc(SC)nc1Nc1cccc(C(=O)OC)c1 ZINC000011907724 471761291 /nfs/dbraw/zinc/76/12/91/471761291.db2.gz WCJQDULBIGPJKL-UHFFFAOYSA-N 0 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Cc1c(C(=O)NCC(C)C)nnn1-c1ccc(Br)cc1 ZINC000051317960 473040777 /nfs/dbraw/zinc/04/07/77/473040777.db2.gz JWFBQTREVDDGCI-UHFFFAOYSA-N 0 0 337.221 2.724 50 0 EFAARN CC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000051357129 473042700 /nfs/dbraw/zinc/04/27/00/473042700.db2.gz TXIMQWABDMCTKH-UHFFFAOYSA-N 0 0 333.290 2.963 50 0 EFAARN CCc1ccc(CNC(=O)COC(=O)c2cccc(OC)c2)cc1 ZINC000051356697 473042878 /nfs/dbraw/zinc/04/28/78/473042878.db2.gz MBEPFIJWRUSBQP-UHFFFAOYSA-N 0 0 327.380 2.731 50 0 EFAARN CC(=O)c1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 ZINC000051357127 473043272 /nfs/dbraw/zinc/04/32/72/473043272.db2.gz RFDLZNJIIQRVBN-UHFFFAOYSA-N 0 0 333.290 2.963 50 0 EFAARN COc1ccc2c(c1)OC(=O)C[C@H]2c1cc2c(c(OC)c1)OCO2 ZINC000066088660 473043705 /nfs/dbraw/zinc/04/37/05/473043705.db2.gz DLZIUZKXRJTQMV-ZDUSSCGKSA-N 0 0 328.320 2.874 50 0 EFAARN O=C(CCCn1cccn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000051469330 473052178 /nfs/dbraw/zinc/05/21/78/473052178.db2.gz LLTITHMOBUDIHW-MRXNPFEDSA-N 0 0 333.819 2.917 50 0 EFAARN Cc1ccccc1N1O[C@@H]2C(=O)N(C)C(=O)[C@@H]2[C@H]1c1cccs1 ZINC000135630496 473102125 /nfs/dbraw/zinc/10/21/25/473102125.db2.gz FASBBTFXANKIGF-KFWWJZLASA-N 0 0 328.393 2.533 50 0 EFAARN O=C(NCCc1nc2cc(F)ccc2[nH]1)[C@@H]1COc2ccccc2C1 ZINC000080925231 473103137 /nfs/dbraw/zinc/10/31/37/473103137.db2.gz YGLIAMMCBZARGW-ZDUSSCGKSA-N 0 0 339.370 2.612 50 0 EFAARN O=C(NC[C@]1(O)CCOc2ccccc21)c1c(F)cccc1Cl ZINC000075158109 473142260 /nfs/dbraw/zinc/14/22/60/473142260.db2.gz UUIGHZJXVCOQNE-QGZVFWFLSA-N 0 0 335.762 2.879 50 0 EFAARN CCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066851055 473163067 /nfs/dbraw/zinc/16/30/67/473163067.db2.gz WPSONEZOEDVREJ-CQSZACIVSA-N 0 0 331.243 2.893 50 0 EFAARN O=C(NC[C@H]1CCCN(c2ncccn2)C1)Nc1ccc(Cl)nc1 ZINC000093923759 473163167 /nfs/dbraw/zinc/16/31/67/473163167.db2.gz GPKBZZBLQNEWDV-GFCCVEGCSA-N 0 0 346.822 2.563 50 0 EFAARN Fc1cc(Br)cc(CN2CCC3(CC2)OCCO3)c1 ZINC000093938695 473164120 /nfs/dbraw/zinc/16/41/20/473164120.db2.gz JZJZAPCMFHDAQE-UHFFFAOYSA-N 0 0 330.197 2.927 50 0 EFAARN CC(=O)c1cnc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc1C ZINC000095352275 473189714 /nfs/dbraw/zinc/18/97/14/473189714.db2.gz SDRSDBKQQHADNQ-CYBMUJFWSA-N 0 0 344.802 2.858 50 0 EFAARN CCc1cccc(OC2CN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000095363131 473190391 /nfs/dbraw/zinc/19/03/91/473190391.db2.gz JIFDLJSBNPZWHI-UHFFFAOYSA-N 0 0 339.317 2.894 50 0 EFAARN O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1CCC(O)CC1 ZINC000095359166 473190520 /nfs/dbraw/zinc/19/05/20/473190520.db2.gz GMXMJPAPDKBUNU-UHFFFAOYSA-N 0 0 339.370 2.737 50 0 EFAARN O=C1COc2cccnc2N1Cc1nc(-c2ccccc2Cl)no1 ZINC000095352575 473190537 /nfs/dbraw/zinc/19/05/37/473190537.db2.gz OOOPAEYFKBKCLD-UHFFFAOYSA-N 0 0 342.742 2.711 50 0 EFAARN Cc1cccc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c1C ZINC000095352738 473190587 /nfs/dbraw/zinc/19/05/87/473190587.db2.gz KQBUTFHUAJVUAZ-LJQANCHMSA-N 0 0 339.439 2.642 50 0 EFAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(CO)o2)C1 ZINC000095352753 473190659 /nfs/dbraw/zinc/19/06/59/473190659.db2.gz YOSYKHNUUZBGFX-AWEZNQCLSA-N 0 0 331.416 2.788 50 0 EFAARN COc1cccc(-c2n[nH]cc2-c2nc(CN3CCCC3)no2)c1 ZINC000095362606 473190670 /nfs/dbraw/zinc/19/06/70/473190670.db2.gz IGVKCMVMNSNXFQ-UHFFFAOYSA-N 0 0 325.372 2.731 50 0 EFAARN Cc1nc(N(C)C)ncc1C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000095362113 473190777 /nfs/dbraw/zinc/19/07/77/473190777.db2.gz ABYSAKCCRWXAPP-UHFFFAOYSA-N 0 0 335.411 2.531 50 0 EFAARN O=C([C@H]1CCc2ccccc21)N1CCC(CCN2CCCC2=O)CC1 ZINC000095362198 473190868 /nfs/dbraw/zinc/19/08/68/473190868.db2.gz YZLHRFRVJJXVIW-IBGZPJMESA-N 0 0 340.467 2.968 50 0 EFAARN COCCN(C)C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095361977 473190901 /nfs/dbraw/zinc/19/09/01/473190901.db2.gz XZDWZJBAYYHSMK-UHFFFAOYSA-N 0 0 327.359 2.859 50 0 EFAARN Cc1noc2ncnc(N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)c12 ZINC000095356051 473191008 /nfs/dbraw/zinc/19/10/08/473191008.db2.gz NEVDMCOARDWAGG-SNVBAGLBSA-N 0 0 343.774 2.797 50 0 EFAARN O=C(c1cnn2ccccc12)N1CC[C@@H](Cc2cccc(CO)c2)C1 ZINC000095363077 473191157 /nfs/dbraw/zinc/19/11/57/473191157.db2.gz NTYCSYQDXZHNMA-INIZCTEOSA-N 0 0 335.407 2.531 50 0 EFAARN Cc1noc2ncnc(N[C@@H](CCn3cncn3)c3ccccc3)c12 ZINC000095362644 473191186 /nfs/dbraw/zinc/19/11/86/473191186.db2.gz NDBFBFNQYGXATK-AWEZNQCLSA-N 0 0 335.371 2.761 50 0 EFAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC000095360701 473191233 /nfs/dbraw/zinc/19/12/33/473191233.db2.gz VRIYCKZBWATACQ-MRXNPFEDSA-N 0 0 329.448 2.676 50 0 EFAARN COc1cccc2c1OC[C@H](CNC(=O)NCc1cccc(F)c1)C2 ZINC000095354563 473191264 /nfs/dbraw/zinc/19/12/64/473191264.db2.gz KXHDKJNJVMWGGR-AWEZNQCLSA-N 0 0 344.386 2.885 50 0 EFAARN CCCc1cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)n(C)n1 ZINC000095352488 473191361 /nfs/dbraw/zinc/19/13/61/473191361.db2.gz MPADMIJXGKCVLE-CQSZACIVSA-N 0 0 327.428 2.744 50 0 EFAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 ZINC000095363065 473191460 /nfs/dbraw/zinc/19/14/60/473191460.db2.gz VTZUWYCZSGTNDC-HNNXBMFYSA-N 0 0 342.443 2.700 50 0 EFAARN COc1c(C)cnc(CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)c1C ZINC000095368447 473192176 /nfs/dbraw/zinc/19/21/76/473192176.db2.gz NVQNBHRUEFMHAH-QGZVFWFLSA-N 0 0 345.418 2.765 50 0 EFAARN CCc1nc2c(ncnc2NC[C@@H]2COc3c(cccc3OC)C2)o1 ZINC000095366946 473192195 /nfs/dbraw/zinc/19/21/95/473192195.db2.gz VJTAIWVPPWQYDC-LLVKDONJSA-N 0 0 340.383 2.852 50 0 EFAARN COc1ccccc1[C@H]1CNC(=O)c2[nH]c(-c3ccc(O)cc3)nc2C1 ZINC000095365849 473192353 /nfs/dbraw/zinc/19/23/53/473192353.db2.gz WHDNPHBAKZAOBG-CYBMUJFWSA-N 0 0 349.390 2.861 50 0 EFAARN COCc1cccc(C(=O)NC[C@H]2CCOc3ccccc3C2)n1 ZINC000095367781 473192370 /nfs/dbraw/zinc/19/23/70/473192370.db2.gz OLAQNWVRGCEJBL-AWEZNQCLSA-N 0 0 326.396 2.599 50 0 EFAARN COc1ccccc1OC1CN(C(=O)[C@H](O)c2ccccc2Cl)C1 ZINC000095363630 473192396 /nfs/dbraw/zinc/19/23/96/473192396.db2.gz UVVVTENVTKCDDJ-QGZVFWFLSA-N 0 0 347.798 2.672 50 0 EFAARN CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCn1cc(C)cn1 ZINC000095370524 473192694 /nfs/dbraw/zinc/19/26/94/473192694.db2.gz PDLWKTNBOVPCMB-MRXNPFEDSA-N 0 0 339.443 2.871 50 0 EFAARN O=C(NCCc1ccc(Cl)cc1)c1coc(CN2CCOCC2)c1 ZINC000095371118 473192728 /nfs/dbraw/zinc/19/27/28/473192728.db2.gz FDGGTSCPPCQJPB-UHFFFAOYSA-N 0 0 348.830 2.738 50 0 EFAARN CCc1ncc(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000095364355 473192757 /nfs/dbraw/zinc/19/27/57/473192757.db2.gz XEFXIONVKKFMPK-LLVKDONJSA-N 0 0 345.399 2.556 50 0 EFAARN CN(C)[C@@H](C(=O)N(C)Cc1cc(C2CC2)n[nH]1)c1ccccc1F ZINC000095379376 473192883 /nfs/dbraw/zinc/19/28/83/473192883.db2.gz ZABZTBIGZCFUQR-QGZVFWFLSA-N 0 0 330.407 2.688 50 0 EFAARN CCNc1ncc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095378869 473192986 /nfs/dbraw/zinc/19/29/86/473192986.db2.gz GDAOSLJPFAUDAO-KRWDZBQOSA-N 0 0 340.427 2.986 50 0 EFAARN Cc1ccc2[nH]c(CNC(=O)[C@H](c3cccc(F)c3)N(C)C)nc2c1 ZINC000095375770 473193016 /nfs/dbraw/zinc/19/30/16/473193016.db2.gz UNDQETACOQVAMR-SFHVURJKSA-N 0 0 340.402 2.930 50 0 EFAARN CCc1cccc(OC2CN(C(=O)CCCn3ccnc3C)C2)c1 ZINC000095382305 473193123 /nfs/dbraw/zinc/19/31/23/473193123.db2.gz YTGKRTDEZACAEX-UHFFFAOYSA-N 0 0 327.428 2.824 50 0 EFAARN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cn1 ZINC000095379753 473193242 /nfs/dbraw/zinc/19/32/42/473193242.db2.gz LKSARBCIGLSZKU-RBUKOAKNSA-N 0 0 349.434 2.653 50 0 EFAARN Cc1nccn1CCCC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095377194 473193311 /nfs/dbraw/zinc/19/33/11/473193311.db2.gz FDCLRPPPDQBLND-UHFFFAOYSA-N 0 0 333.819 2.915 50 0 EFAARN CCn1nc(C)c(CNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c1C ZINC000095381845 473193488 /nfs/dbraw/zinc/19/34/88/473193488.db2.gz UIIRREIUPKMMJX-GOSISDBHSA-N 0 0 328.460 2.747 50 0 EFAARN CCCn1cc(C(=O)NC[C@H]2COc3c(cccc3OC)C2)c(C)n1 ZINC000095388788 473194306 /nfs/dbraw/zinc/19/43/06/473194306.db2.gz MACSFQRXSQELOA-AWEZNQCLSA-N 0 0 343.427 2.591 50 0 EFAARN C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H](C(=O)[O-])c1ccc(N)nc1 ZINC000095388322 473194625 /nfs/dbraw/zinc/19/46/25/473194625.db2.gz LOVQILUJSTUGHP-CQSZACIVSA-N 0 0 339.317 2.940 50 0 EFAARN Cc1ccccc1[C@H](C(=O)N(C)Cc1cc(C2CC2)n[nH]1)N(C)C ZINC000095390655 473194807 /nfs/dbraw/zinc/19/48/07/473194807.db2.gz GFXARXYWBRDVNZ-GOSISDBHSA-N 0 0 326.444 2.857 50 0 EFAARN CCc1ccc(NC(=O)CCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000095402554 473197454 /nfs/dbraw/zinc/19/74/54/473197454.db2.gz OLYHOLMIDVZHME-IRXDYDNUSA-N 0 0 340.423 2.919 50 0 EFAARN O=C(CN1CCc2[nH]c3ccccc3c2C1)NCc1cccs1 ZINC000171618689 473422577 /nfs/dbraw/zinc/42/25/77/473422577.db2.gz CYZVWICVXCNTBB-UHFFFAOYSA-N 0 0 325.437 2.904 50 0 EFAARN CCOC(=O)c1cn(-c2nccs2)c2nc(Cl)ccc2c1=O ZINC000114434162 473464797 /nfs/dbraw/zinc/46/47/97/473464797.db2.gz DEQCQORBUCWBPB-UHFFFAOYSA-N 0 0 335.772 2.672 50 0 EFAARN COc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1F)CCCC2 ZINC000169752880 473549301 /nfs/dbraw/zinc/54/93/01/473549301.db2.gz GHBFEWUUXKGVOQ-UHFFFAOYSA-N 0 0 330.359 2.893 50 0 EFAARN O=C(N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1ccccn1 ZINC000169754162 473549315 /nfs/dbraw/zinc/54/93/15/473549315.db2.gz HEFMODAOYUJGKM-LBPRGKRZSA-N 0 0 339.424 2.542 50 0 EFAARN CCc1ccc(N2C[C@@H](c3noc(-c4cnccn4)n3)CC2=O)cc1 ZINC000169755408 473549336 /nfs/dbraw/zinc/54/93/36/473549336.db2.gz KFKMDXWCWXSPHV-ZDUSSCGKSA-N 0 0 335.367 2.610 50 0 EFAARN CN1c2cc(C(=O)NCCc3ccccc3)ccc2C(=O)N2CCC[C@@H]21 ZINC000169765887 473549365 /nfs/dbraw/zinc/54/93/65/473549365.db2.gz TXFFRGWUTHPWIN-LJQANCHMSA-N 0 0 349.434 2.671 50 0 EFAARN CCN(CC)C(=O)NC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000169892097 473549707 /nfs/dbraw/zinc/54/97/07/473549707.db2.gz UBHMNLDHCDIQHD-UHFFFAOYSA-N 0 0 337.851 2.996 50 0 EFAARN CCN(CC)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000169891411 473549785 /nfs/dbraw/zinc/54/97/85/473549785.db2.gz QTJJBFGCIWARSI-UHFFFAOYSA-N 0 0 337.851 2.996 50 0 EFAARN COc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000170615094 473566721 /nfs/dbraw/zinc/56/67/21/473566721.db2.gz IHLDMDZLPAQTOJ-UHFFFAOYSA-N 0 0 346.452 2.515 50 0 EFAARN O=C(c1cc2ncccn2n1)N1CCC(Oc2ccccc2F)CC1 ZINC000633933921 480060843 /nfs/dbraw/zinc/06/08/43/480060843.db2.gz 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CSc1cccc(C(=O)NCc2nc(-c3cc(C)on3)no2)c1 ZINC000238818578 474541919 /nfs/dbraw/zinc/54/19/19/474541919.db2.gz CBLBYEKWTUVLMY-UHFFFAOYSA-N 0 0 330.369 2.685 50 0 EFAARN O=C(NCc1nc(-c2cc(C3CC3)on2)no1)NCc1ccccc1 ZINC000238932729 474543546 /nfs/dbraw/zinc/54/35/46/474543546.db2.gz VFLXKUSKXYFEDW-UHFFFAOYSA-N 0 0 339.355 2.601 50 0 EFAARN Cc1ccc(O[C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)nc1 ZINC000238944638 474543615 /nfs/dbraw/zinc/54/36/15/474543615.db2.gz WIBYQBSBDAQNAF-MRXNPFEDSA-N 0 0 330.359 2.588 50 0 EFAARN Cc1cc(C(=O)N2C[C@H](c3nc(C)no3)[C@@H](c3ccccc3)C2)no1 ZINC000238962131 474543721 /nfs/dbraw/zinc/54/37/21/474543721.db2.gz YOVGNCCBVKSFIK-CABCVRRESA-N 0 0 338.367 2.698 50 0 EFAARN CC(C)(C)NC(=O)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238957672 474543760 /nfs/dbraw/zinc/54/37/60/474543760.db2.gz YDBWOLRSQZBFOC-LLVKDONJSA-N 0 0 342.237 2.805 50 0 EFAARN COc1cc(NC(=O)N2CC[C@@H](Oc3ccccn3)C2)cc(OC)c1 ZINC000238955870 474544136 /nfs/dbraw/zinc/54/41/36/474544136.db2.gz XYJPFETWAWDWEJ-CQSZACIVSA-N 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O=C(NCCn1cc(-c2ccccc2)cn1)[C@@H]1COc2ccccc2O1 ZINC000244986206 474569814 /nfs/dbraw/zinc/56/98/14/474569814.db2.gz JKJREWZSTDXHHV-IBGZPJMESA-N 0 0 349.390 2.506 50 0 EFAARN O=C(c1ccc(OCC2CCOCC2)nc1)N1CCC(F)(F)CC1 ZINC000244986280 474570071 /nfs/dbraw/zinc/57/00/71/474570071.db2.gz JNVSZRRUIZLOPP-UHFFFAOYSA-N 0 0 340.370 2.758 50 0 EFAARN O=C(NOCc1ccccc1)c1ccc(OCC2CCOCC2)nc1 ZINC000245053457 474570434 /nfs/dbraw/zinc/57/04/34/474570434.db2.gz OVLMCHZKMFXSCQ-UHFFFAOYSA-N 0 0 342.395 2.749 50 0 EFAARN COC(=O)c1ccccc1C(=O)N1CCC(Oc2ccncc2)CC1 ZINC000245173961 474571138 /nfs/dbraw/zinc/57/11/38/474571138.db2.gz YDZOIUNEADWJAZ-UHFFFAOYSA-N 0 0 340.379 2.552 50 0 EFAARN Cn1ccc(NC(=O)CN2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000252482013 474667817 /nfs/dbraw/zinc/66/78/17/474667817.db2.gz CWSWOZYPJVNBMJ-UHFFFAOYSA-N 0 0 348.834 2.555 50 0 EFAARN COCCN1C[C@@H](Cc2cc(C)nc3c(F)cc(F)cc23)CC1=O ZINC000252484311 474669278 /nfs/dbraw/zinc/66/92/78/474669278.db2.gz FUFGALLOYNTEEL-LBPRGKRZSA-N 0 0 334.366 2.859 50 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339.395 2.603 50 0 EFAARN COc1ccccc1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1 ZINC000252491878 474677191 /nfs/dbraw/zinc/67/71/91/474677191.db2.gz LYCJUVPNVYZKGJ-UHFFFAOYSA-N 0 0 330.294 2.806 50 0 EFAARN Cc1cc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3[nH]2)no1 ZINC000252495441 474678308 /nfs/dbraw/zinc/67/83/08/474678308.db2.gz OQIDVSZNUCVLNE-CQSZACIVSA-N 0 0 325.372 2.635 50 0 EFAARN Cc1cc(NC(=O)CN(C)[C@H](C)Cc2cnccn2)ccc1Cl ZINC000252509872 474687501 /nfs/dbraw/zinc/68/75/01/474687501.db2.gz YXGSESOQCHTIDP-CYBMUJFWSA-N 0 0 332.835 2.940 50 0 EFAARN CCOc1c(CN(C)c2cc([C@H]3C[C@@H](O)C3)ncn2)cccc1OC ZINC000252536095 474693604 /nfs/dbraw/zinc/69/36/04/474693604.db2.gz HPCPMUGVOGSZMF-GASCZTMLSA-N 0 0 343.427 2.759 50 0 EFAARN Cn1cnc2cc(C(=O)N[C@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)ccc21 ZINC000252536521 474693987 /nfs/dbraw/zinc/69/39/87/474693987.db2.gz IUMXTVMCKOOREQ-KZNAEPCWSA-N 0 0 349.434 2.685 50 0 EFAARN O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccncc1Cl ZINC000252536479 474694699 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Cc1cc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)no1 ZINC000253408005 474738736 /nfs/dbraw/zinc/73/87/36/474738736.db2.gz XAHCGEAXXQYLKH-OAHLLOKOSA-N 0 0 334.422 2.772 50 0 EFAARN O=C(Cc1cccc(O)c1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000253403567 474739465 /nfs/dbraw/zinc/73/94/65/474739465.db2.gz QCKDXYQOSXBURQ-OAHLLOKOSA-N 0 0 325.364 2.680 50 0 EFAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc2ccccc2c(=O)c1O ZINC000253408050 474739787 /nfs/dbraw/zinc/73/97/87/474739787.db2.gz KIVKIDBFKKVFPV-AWEZNQCLSA-N 0 0 340.331 2.899 50 0 biogenic EFAARN O=C(NCCn1ccc2ccoc2c1=O)c1ccc2ncsc2c1 ZINC000253408362 474740518 /nfs/dbraw/zinc/74/05/18/474740518.db2.gz XNVXSGBPXYRQTK-UHFFFAOYSA-N 0 0 339.376 2.634 50 0 EFAARN Cn1cnc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc21 ZINC000253410984 474740551 /nfs/dbraw/zinc/74/05/51/474740551.db2.gz OAIHIRBUTPQNTI-UHFFFAOYSA-N 0 0 338.411 2.909 50 0 EFAARN c1ccc2c(c1)OC[C@@H](c1nc3nccc(-c4ccncc4)n3n1)O2 ZINC000253413959 474740745 /nfs/dbraw/zinc/74/07/45/474740745.db2.gz 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ZINC000295910128 475134662 /nfs/dbraw/zinc/13/46/62/475134662.db2.gz YHVQLCUUKCUAHF-IBGZPJMESA-N 0 0 328.456 2.894 50 0 EFAARN Cc1nnnn1-c1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000343043187 475717610 /nfs/dbraw/zinc/71/76/10/475717610.db2.gz KOTSPDSOJVAIQA-UHFFFAOYSA-N 0 0 346.350 2.878 50 0 EFAARN Fc1ccccc1OC1(c2nc([C@H]3CN4CCC[C@H]4CO3)no2)CC1 ZINC000346805306 475874223 /nfs/dbraw/zinc/87/42/23/475874223.db2.gz ZLKAYWNCUZJALT-SWLSCSKDSA-N 0 0 345.374 2.813 50 0 EFAARN COc1ccc(S(=O)(=O)CCNC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000334159283 476122838 /nfs/dbraw/zinc/12/28/38/476122838.db2.gz SVHGYPFXISCNNI-FOCLMDBBSA-N 0 0 349.412 2.689 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(F)c3F)[C@H]2C1 ZINC000299755165 476151193 /nfs/dbraw/zinc/15/11/93/476151193.db2.gz AWGKTYYWXVHXSK-HYSWKAIVSA-N 0 0 325.355 2.763 50 0 EFAARN O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1cccn1C1CC1 ZINC000299774471 476153458 /nfs/dbraw/zinc/15/34/58/476153458.db2.gz IUGMIUDHNOKZHV-UHFFFAOYSA-N 0 0 329.444 2.734 50 0 EFAARN O=C([O-])c1cccc(C(=O)NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000299769802 476153507 /nfs/dbraw/zinc/15/35/07/476153507.db2.gz QIOCIGUMMLRIJW-WMLDXEAASA-N 0 0 330.428 2.769 50 0 EFAARN O=S(=O)(Cc1ccccc1F)N1CCOc2ccc(F)cc2C1 ZINC000362969462 476509267 /nfs/dbraw/zinc/50/92/67/476509267.db2.gz MWLISQNDLXKTFH-UHFFFAOYSA-N 0 0 339.363 2.689 50 0 EFAARN O=C(/C=C/c1cccs1)NC[C@](O)(c1ccoc1)c1ccco1 ZINC000390827419 476800620 /nfs/dbraw/zinc/80/06/20/476800620.db2.gz XNNZYEHMJOUKQJ-RTRPANQVSA-N 0 0 329.377 3.000 50 0 EFAARN Cc1ccccc1OCC(=O)NC[C@@](O)(c1ccoc1)c1ccco1 ZINC000390827493 476800710 /nfs/dbraw/zinc/80/07/10/476800710.db2.gz YPRPLNDKEKESCI-LJQANCHMSA-N 0 0 341.363 2.612 50 0 EFAARN COc1ccccc1OCC(=O)NCc1ccnc(-c2ccncc2)c1 ZINC000390827841 476800806 /nfs/dbraw/zinc/80/08/06/476800806.db2.gz LAEFKUZBUZPCPO-UHFFFAOYSA-N 0 0 349.390 2.847 50 0 EFAARN COC(=O)[C@@H]1CC12CCN(C(=O)CSCc1ccccc1)CC2 ZINC000390828903 476801777 /nfs/dbraw/zinc/80/17/77/476801777.db2.gz CEBUPWRBSPHTAO-HNNXBMFYSA-N 0 0 333.453 2.722 50 0 EFAARN CN(C)C(=O)N1CCC(CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000390830152 476802122 /nfs/dbraw/zinc/80/21/22/476802122.db2.gz JDRUPMRNUKYPLG-UHFFFAOYSA-N 0 0 338.839 2.855 50 0 EFAARN O=C(COc1ccc2c(c1)OCO2)N1CCCC[C@H]1c1cccnc1 ZINC000390828984 476802324 /nfs/dbraw/zinc/80/23/24/476802324.db2.gz VNGYIWPLTXIPBS-INIZCTEOSA-N 0 0 340.379 2.943 50 0 biogenic EFAARN Cn1ccc([C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1 ZINC000390830647 476802803 /nfs/dbraw/zinc/80/28/03/476802803.db2.gz MJHYLIOPAFQKSR-QSOAKEGCSA-N 0 0 331.441 2.600 50 0 EFAARN O=C(NCc1ccc(-c2ccoc2)nc1)[C@H]1COc2ccccc2O1 ZINC000390832108 476803674 /nfs/dbraw/zinc/80/36/74/476803674.db2.gz XIAKWLHJRXBCOS-GOSISDBHSA-N 0 0 336.347 2.798 50 0 EFAARN COc1ccc([C@H](NC(=O)COc2coc(C)cc2=O)C(C)C)cc1 ZINC000409413294 476984617 /nfs/dbraw/zinc/98/46/17/476984617.db2.gz HCZNIQUWYNRPPD-LJQANCHMSA-N 0 0 345.395 2.849 50 0 EFAARN O=C(NCC1CCN(c2ncccn2)CC1)c1cc2ccccc2[nH]1 ZINC000376555118 477399888 /nfs/dbraw/zinc/39/98/88/477399888.db2.gz WYYIXYGUAYCPQR-UHFFFAOYSA-N 0 0 335.411 2.604 50 0 EFAARN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC(Cc2cccnc2)CC1 ZINC000367487179 477541636 /nfs/dbraw/zinc/54/16/36/477541636.db2.gz XGUNQIYWKCLADV-GOSISDBHSA-N 0 0 349.434 2.989 50 0 EFAARN CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 ZINC000426360115 477706344 /nfs/dbraw/zinc/70/63/44/477706344.db2.gz HRHPOGLPBXOJAH-QGZVFWFLSA-N 0 0 340.427 2.757 50 0 EFAARN CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 ZINC000426409218 477706754 /nfs/dbraw/zinc/70/67/54/477706754.db2.gz XPDYNRNZWWZNGK-KRWDZBQOSA-N 0 0 340.427 2.757 50 0 EFAARN CCCN(CCc1ccccc1)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426401713 477707026 /nfs/dbraw/zinc/70/70/26/477707026.db2.gz JHLBJMDVTWSMLJ-MRXNPFEDSA-N 0 0 326.444 3.022 50 0 EFAARN Cc1nnc(SCCCNC(=O)N2CC(c3ccncc3)C2)s1 ZINC000426412816 477707446 /nfs/dbraw/zinc/70/74/46/477707446.db2.gz VHOMWTJBFRYPHL-UHFFFAOYSA-N 0 0 349.485 2.533 50 0 EFAARN COc1ccc2[nH]c(C(=O)N3CCC(c4ncon4)CC3)c(C)c2c1 ZINC000426414732 477708507 /nfs/dbraw/zinc/70/85/07/477708507.db2.gz RWSHNHZYQMGIAQ-UHFFFAOYSA-N 0 0 340.383 2.888 50 0 EFAARN Cn1nccc1CCC(=O)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000426434833 477709435 /nfs/dbraw/zinc/70/94/35/477709435.db2.gz KJMVVWIWLYDHQZ-OAHLLOKOSA-N 0 0 345.418 2.809 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)NCC[C@H]1CCCCO1 ZINC000426444422 477710074 /nfs/dbraw/zinc/71/00/74/477710074.db2.gz DMWHPTGPZGUNRY-GOSISDBHSA-N 0 0 342.443 2.973 50 0 EFAARN CCc1ccc(CN2CCc3c(C(=O)NCCF)csc3C2)nc1 ZINC000426443344 477710139 /nfs/dbraw/zinc/71/01/39/477710139.db2.gz NLVNJBVDPAPABS-UHFFFAOYSA-N 0 0 347.459 2.963 50 0 EFAARN Cn1c2c(cc(C(=O)N[C@@H]3CCc4ccccc4C3)c1=O)CCCC2 ZINC000426444450 477710618 /nfs/dbraw/zinc/71/06/18/477710618.db2.gz FFWIELOTXLEOEK-QGZVFWFLSA-N 0 0 336.435 2.551 50 0 EFAARN COC(C)(C)CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1 ZINC000426517561 477711555 /nfs/dbraw/zinc/71/15/55/477711555.db2.gz JOKXLRLGBPEWQW-UHFFFAOYSA-N 0 0 343.427 2.924 50 0 EFAARN COc1ccc(Cn2cc(-c3cc(OC(C)C)nc(N)n3)cn2)cc1 ZINC000426471587 477711698 /nfs/dbraw/zinc/71/16/98/477711698.db2.gz OQLRWVZOSFKNSR-UHFFFAOYSA-N 0 0 339.399 2.766 50 0 EFAARN CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccnc(N)n3)c2)C1 ZINC000426477912 477712452 /nfs/dbraw/zinc/71/24/52/477712452.db2.gz AMDHWDMBWVAGCO-INIZCTEOSA-N 0 0 340.427 2.757 50 0 EFAARN Cc1noc(CSCC(=O)NCc2ccc3c(c2)CCCC3)n1 ZINC000426522983 477713118 /nfs/dbraw/zinc/71/31/18/477713118.db2.gz RCMYLKJSHGNTIC-UHFFFAOYSA-N 0 0 331.441 2.806 50 0 EFAARN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)NCCc1c[nH]cn1 ZINC000426531573 477715141 /nfs/dbraw/zinc/71/51/41/477715141.db2.gz JJYLZMBTHYDNLG-LJQANCHMSA-N 0 0 326.444 2.962 50 0 EFAARN C[C@@H](Cc1cccs1)NC(=O)N1CCC(Oc2ncccn2)CC1 ZINC000426541480 477716640 /nfs/dbraw/zinc/71/66/40/477716640.db2.gz PJZRPPJMCRCAEI-ZDUSSCGKSA-N 0 0 346.456 2.722 50 0 EFAARN CO[C@]12CCN(C(=O)c3ccncc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426535650 477716923 /nfs/dbraw/zinc/71/69/23/477716923.db2.gz QVFIKSMIKBKUIO-IMFGXOCKSA-N 0 0 344.455 2.969 50 0 EFAARN COCC1(NC(=O)c2cccc(-c3ccc(N)nc3)c2)CCCC1 ZINC000426535304 477717001 /nfs/dbraw/zinc/71/70/01/477717001.db2.gz YOSLHQHGDZEYEI-UHFFFAOYSA-N 0 0 325.412 3.020 50 0 EFAARN CCOCCCNC(=O)c1ccc(-c2ncc(C)c(N(C)C)n2)cc1 ZINC000426538381 477717449 /nfs/dbraw/zinc/71/74/49/477717449.db2.gz LIZQELFHJUFPEE-UHFFFAOYSA-N 0 0 342.443 2.674 50 0 EFAARN CN1CCN(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)CC1 ZINC000426534468 477717541 /nfs/dbraw/zinc/71/75/41/477717541.db2.gz ODQOZBODBSEXQE-UHFFFAOYSA-N 0 0 332.350 2.725 50 0 EFAARN O=C(NCC[C@H]1CCOC1)c1ccc(-c2cnn3cccnc23)cc1 ZINC000426533821 477717673 /nfs/dbraw/zinc/71/76/73/477717673.db2.gz SIDNUWQSAKEXHO-AWEZNQCLSA-N 0 0 336.395 2.553 50 0 EFAARN COc1cccc(OC[C@@H]2CCCN(C(=O)NCC3(C)COC3)C2)c1 ZINC000426544372 477719005 /nfs/dbraw/zinc/71/90/05/477719005.db2.gz JMLNPMBJOXYDCW-OAHLLOKOSA-N 0 0 348.443 2.532 50 0 EFAARN Cc1ccc(CN2CCN(C(=O)NCc3ccco3)[C@@H](C)C2=O)cc1 ZINC000426551727 477720528 /nfs/dbraw/zinc/72/05/28/477720528.db2.gz AZYGDQKGUXYOTL-HNNXBMFYSA-N 0 0 341.411 2.531 50 0 EFAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)NCCc1ccco1 ZINC000426555409 477720538 /nfs/dbraw/zinc/72/05/38/477720538.db2.gz GAANBFUOZIJVSU-MRXNPFEDSA-N 0 0 327.428 2.990 50 0 EFAARN Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1 ZINC000426550059 477720941 /nfs/dbraw/zinc/72/09/41/477720941.db2.gz PIKTWHXQZLDVLM-KRWDZBQOSA-N 0 0 337.423 2.927 50 0 EFAARN CCN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2cnc(N)nc2)c1 ZINC000426584062 477721752 /nfs/dbraw/zinc/72/17/52/477721752.db2.gz RJSUHYKKWOEEKS-QGZVFWFLSA-N 0 0 340.427 2.757 50 0 EFAARN CN(Cc1cccnc1)C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000426584565 477722566 /nfs/dbraw/zinc/72/25/66/477722566.db2.gz CBJSTXRAEGFOJE-UHFFFAOYSA-N 0 0 338.411 2.567 50 0 EFAARN Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)c(-c2ccccc2)o1 ZINC000426584012 477722596 /nfs/dbraw/zinc/72/25/96/477722596.db2.gz LOSYJTUMHHQYEF-AWEZNQCLSA-N 0 0 326.352 2.532 50 0 EFAARN O=C(NC[C@@H]1CCCCO1)N(Cc1cccnc1)Cc1cccnc1 ZINC000426593634 477723164 /nfs/dbraw/zinc/72/31/64/477723164.db2.gz HUDBDZQNLZLUED-SFHVURJKSA-N 0 0 340.427 2.758 50 0 EFAARN CN(Cc1ccc2nsnc2c1)C(=O)NCc1cc(C2CC2)n[nH]1 ZINC000426596664 477724300 /nfs/dbraw/zinc/72/43/00/477724300.db2.gz VZAWNCGTYQLKKV-UHFFFAOYSA-N 0 0 342.428 2.633 50 0 EFAARN Cc1nc(N)ccc1-c1ccc(C(=O)N[C@H](C)CCn2cccn2)cc1 ZINC000426597444 477724978 /nfs/dbraw/zinc/72/49/78/477724978.db2.gz UXUMHFJBIFGZDM-CQSZACIVSA-N 0 0 349.438 3.044 50 0 EFAARN COC(=O)c1cccc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1 ZINC000426612567 477726027 /nfs/dbraw/zinc/72/60/27/477726027.db2.gz PNLHWQCAZGISIW-QGZVFWFLSA-N 0 0 325.364 2.659 50 0 EFAARN Cc1noc(C)c1CN1CCc2c(C(=O)N3CCC3)csc2C1 ZINC000426623130 477727260 /nfs/dbraw/zinc/72/72/60/477727260.db2.gz YAVXKCSJUFMOME-UHFFFAOYSA-N 0 0 331.441 2.757 50 0 EFAARN O=C(NCCn1ccnc1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000426621533 477727464 /nfs/dbraw/zinc/72/74/64/477727464.db2.gz BTBNBHHJTMHWEH-HNNXBMFYSA-N 0 0 346.406 2.523 50 0 EFAARN CN(CCC1(O)CCCC1)C(=O)c1ccc(-c2cncn2C)cc1 ZINC000426618111 477728289 /nfs/dbraw/zinc/72/82/89/477728289.db2.gz KADWVFLTSCNLAZ-UHFFFAOYSA-N 0 0 327.428 2.854 50 0 EFAARN CN(C[C@@H]1CC(=O)N(C)C1)C(=O)NCc1ccc2sccc2c1 ZINC000426641610 477730713 /nfs/dbraw/zinc/73/07/13/477730713.db2.gz WZMKJGGHPDYTKD-CYBMUJFWSA-N 0 0 331.441 2.521 50 0 EFAARN CSCCCNC(=O)[C@@H](Nc1ncnc2ccccc21)C(C)C ZINC000426643054 477731379 /nfs/dbraw/zinc/73/13/79/477731379.db2.gz VCRJKDMUAMPAPL-HNNXBMFYSA-N 0 0 332.473 2.936 50 0 EFAARN CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426647258 477732374 /nfs/dbraw/zinc/73/23/74/477732374.db2.gz MMWWVGLSZDBIGQ-OAHLLOKOSA-N 0 0 343.427 2.746 50 0 EFAARN CC(C)O[C@H]1CN(C(=O)NCc2ccc(Cl)cc2Cl)C[C@@H]1O ZINC000426652955 477733846 /nfs/dbraw/zinc/73/38/46/477733846.db2.gz OQSMWNPDSJEPBY-KBPBESRZSA-N 0 0 347.242 2.673 50 0 EFAARN Cc1ccc2[nH]c([C@H](C)NC(=O)NCC3(O)CCCCC3)nc2c1 ZINC000426658356 477734099 /nfs/dbraw/zinc/73/40/99/477734099.db2.gz LNJAEOSDTWYSNQ-ZDUSSCGKSA-N 0 0 330.432 2.927 50 0 EFAARN CCN(Cc1ccncc1)c1cc([C@@H]2CCOC2)nc(COC)n1 ZINC000426668293 477735460 /nfs/dbraw/zinc/73/54/60/477735460.db2.gz KCTSCZDJZBCJFX-OAHLLOKOSA-N 0 0 328.416 2.548 50 0 EFAARN CC(C)Cc1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1 ZINC000426667379 477736011 /nfs/dbraw/zinc/73/60/11/477736011.db2.gz CTUMSIYJAZGKFB-UHFFFAOYSA-N 0 0 325.412 2.815 50 0 EFAARN O=C(N[C@H]1CCCc2ccccc21)N1CCC(N2CCOCC2)CC1 ZINC000426689008 477738428 /nfs/dbraw/zinc/73/84/28/477738428.db2.gz ABZUIDKWZFNNFE-IBGZPJMESA-N 0 0 343.471 2.570 50 0 EFAARN Cn1c(=O)cc(C(=O)N(Cc2nccs2)C2CC2)c2ccccc21 ZINC000426690742 477738530 /nfs/dbraw/zinc/73/85/30/477738530.db2.gz SZNGCWNVVHLDMQ-UHFFFAOYSA-N 0 0 339.420 2.800 50 0 EFAARN Cc1ccc2[nH]c(=O)cc(C(=O)NC[C@H](c3ccco3)N(C)C)c2c1 ZINC000426705600 477739835 /nfs/dbraw/zinc/73/98/35/477739835.db2.gz FPFUKVGGKGVNJG-MRXNPFEDSA-N 0 0 339.395 2.875 50 0 EFAARN C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(-n2cncn2)cc1 ZINC000426707230 477740303 /nfs/dbraw/zinc/74/03/03/477740303.db2.gz OBGUVWWUUJNQNS-LBPRGKRZSA-N 0 0 335.358 2.769 50 0 EFAARN O=C(NCCc1nc(-c2ccccc2)cs1)N1CCC[C@H](O)C1 ZINC000426712159 477741360 /nfs/dbraw/zinc/74/13/60/477741360.db2.gz OLWCYVPLSJIFOM-AWEZNQCLSA-N 0 0 331.441 2.519 50 0 EFAARN CCc1nc2ccccc2n1CCC(=O)NCCc1nccs1 ZINC000426726910 477743530 /nfs/dbraw/zinc/74/35/30/477743530.db2.gz QDUJQTGDBBMLFH-UHFFFAOYSA-N 0 0 328.441 2.804 50 0 EFAARN COc1ccccc1OC1CN(C(=O)NCCc2ccc(C)o2)C1 ZINC000426722666 477743738 /nfs/dbraw/zinc/74/37/38/477743738.db2.gz QUYOSORAZJRUJY-UHFFFAOYSA-N 0 0 330.384 2.612 50 0 EFAARN Cc1c(Cl)c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)nn1C ZINC000421446417 478091167 /nfs/dbraw/zinc/09/11/67/478091167.db2.gz LWZSWLLKSKTNPL-UHFFFAOYSA-N 0 0 334.807 2.772 50 0 EFAARN CCCc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)nc(C)n1 ZINC000534576168 478157991 /nfs/dbraw/zinc/15/79/91/478157991.db2.gz XCDNKGDGFCGMQK-KRWDZBQOSA-N 0 0 325.412 2.923 50 0 EFAARN Cc1cccc2oc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)nc21 ZINC000534578897 478158585 /nfs/dbraw/zinc/15/85/85/478158585.db2.gz KVCRBZHENDMXJP-LBPRGKRZSA-N 0 0 328.368 2.628 50 0 EFAARN CCOc1ccc([C@@H](C)NS(=O)(=O)N2CCCCCC2)cc1F ZINC000534578564 478158679 /nfs/dbraw/zinc/15/86/79/478158679.db2.gz GZTQTYWCFLXFEL-CYBMUJFWSA-N 0 0 344.452 2.996 50 0 EFAARN Cc1ccc2c(c1)[C@@H](NC(=O)c1cnc(C)[nH]c1=O)CC(C)(C)O2 ZINC000534588942 478160889 /nfs/dbraw/zinc/16/08/89/478160889.db2.gz MSKZJFFHDUUXRP-AWEZNQCLSA-N 0 0 327.384 2.831 50 0 EFAARN COCCN(Cc1cccc(OC)c1)C(=O)N[C@@H](C)c1nc(C)c[nH]1 ZINC000534591473 478161137 /nfs/dbraw/zinc/16/11/37/478161137.db2.gz WAZFCXVHJDEQPA-AWEZNQCLSA-N 0 0 346.431 2.646 50 0 EFAARN CCN(CCOC)C(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1 ZINC000534588823 478161255 /nfs/dbraw/zinc/16/12/55/478161255.db2.gz JUWSHIZUCHMOLC-UHFFFAOYSA-N 0 0 338.411 2.921 50 0 EFAARN CC(C)c1cc(CN[C@H](C)Cn2cnc3ccccc3c2=O)no1 ZINC000534584481 478161362 /nfs/dbraw/zinc/16/13/62/478161362.db2.gz OLIVIFRKCLBOGA-CYBMUJFWSA-N 0 0 326.400 2.686 50 0 EFAARN Cc1ccc2[nH]c(CNC(=O)c3cc(C(F)F)nn3C)nc2c1C ZINC000534632070 478163638 /nfs/dbraw/zinc/16/36/38/478163638.db2.gz QPUXBKKCDLFGSF-UHFFFAOYSA-N 0 0 333.342 2.781 50 0 EFAARN CC1(C)C[C@@]1(C(=O)NCc1ccc(C(N)=O)cc1)c1cccs1 ZINC000534632948 478163716 /nfs/dbraw/zinc/16/37/16/478163716.db2.gz IGXZUCVCKPGHJP-SFHVURJKSA-N 0 0 328.437 2.831 50 0 EFAARN Cc1cc(C)n(C2CN(C(=O)N[C@H](C)COc3ccc(C)cc3)C2)n1 ZINC000534633667 478163753 /nfs/dbraw/zinc/16/37/53/478163753.db2.gz NYVJQZVSPCOVHU-OAHLLOKOSA-N 0 0 342.443 2.842 50 0 EFAARN O=C(NC[C@@H](c1ccccc1)C1CCCC1)c1ccn2nnnc2c1 ZINC000534636910 478164902 /nfs/dbraw/zinc/16/49/02/478164902.db2.gz FLFAJCREWBQEPN-KRWDZBQOSA-N 0 0 335.411 2.828 50 0 EFAARN Cc1cccc(OC2CN(C(=O)N[C@@H](c3nccn3C)C3CC3)C2)c1 ZINC000534649205 478165441 /nfs/dbraw/zinc/16/54/41/478165441.db2.gz NGVDWNUTMHXSJS-QGZVFWFLSA-N 0 0 340.427 2.652 50 0 EFAARN Cn1cccc1C(=O)C(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000534644851 478165495 /nfs/dbraw/zinc/16/54/95/478165495.db2.gz XGAXXMPVIHJQEV-UHFFFAOYSA-N 0 0 328.387 2.975 50 0 EFAARN O=C(NCCc1csc(-c2ccncc2)n1)N1CCSCC1 ZINC000534645338 478165635 /nfs/dbraw/zinc/16/56/35/478165635.db2.gz BAPXRDSOPOHDQK-UHFFFAOYSA-N 0 0 334.470 2.506 50 0 EFAARN CC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1)c1ncnn1C ZINC000534648604 478166492 /nfs/dbraw/zinc/16/64/92/478166492.db2.gz MCOHNIHYBRTTCY-CYBMUJFWSA-N 0 0 325.372 2.660 50 0 EFAARN CCCOc1ccccc1CNC(=O)NC1(C(N)=O)CCCCCC1 ZINC000534663487 478167198 /nfs/dbraw/zinc/16/71/98/478167198.db2.gz FJMISRYRGOQEEE-UHFFFAOYSA-N 0 0 347.459 2.853 50 0 EFAARN COc1ccc(OC)c([C@@H](C)NC(=O)N(C)Cc2nc(C)c[nH]2)c1 ZINC000534656683 478167635 /nfs/dbraw/zinc/16/76/35/478167635.db2.gz AMFHIDNUIKSXMS-GFCCVEGCSA-N 0 0 332.404 2.638 50 0 EFAARN CCn1cc(CN(CCOC)C(=O)NCC2C(C)(C)C2(C)C)cn1 ZINC000534664732 478168950 /nfs/dbraw/zinc/16/89/50/478168950.db2.gz IMRGYNIENKJLPT-UHFFFAOYSA-N 0 0 336.480 2.743 50 0 EFAARN CC(C)SCCNC(=O)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000534670022 478169099 /nfs/dbraw/zinc/16/90/99/478169099.db2.gz HRHZJOYLJTYZPY-MRXNPFEDSA-N 0 0 337.489 2.914 50 0 EFAARN Cc1cccnc1NC(=O)COc1c(=O)ccn(CCC(C)C)c1C ZINC000524732427 478388797 /nfs/dbraw/zinc/38/87/97/478388797.db2.gz CGHIUAXANDFUGS-UHFFFAOYSA-N 0 0 343.427 2.924 50 0 EFAARN O=C(CC1(n2cccc2)CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000524729020 478388943 /nfs/dbraw/zinc/38/89/43/478388943.db2.gz HHZJYAZCPZYPAO-FXAWDEMLSA-N 0 0 346.471 2.538 50 0 biogenic EFAARN Cc1nn(CCCNC(=O)N(C)CCC[C@@H]2CCCO2)c(C)c1C ZINC000584887792 479270745 /nfs/dbraw/zinc/27/07/45/479270745.db2.gz OBNZMZOYTZTZPQ-QGZVFWFLSA-N 0 0 336.480 2.799 50 0 EFAARN Cc1cc(CNC(=O)N(C)CC[C@H](O)c2ccccc2)cnc1C ZINC000584886182 479271167 /nfs/dbraw/zinc/27/11/67/479271167.db2.gz FVAJACXNTUMLFC-SFHVURJKSA-N 0 0 327.428 2.964 50 0 EFAARN COc1ccccc1OCCCN(C)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000584889724 479272338 /nfs/dbraw/zinc/27/23/38/479272338.db2.gz LYSKGQLGCMSTGD-LBPRGKRZSA-N 0 0 348.403 2.558 50 0 EFAARN Cc1cc([C@H]2CCCN2C(=O)NCCc2noc(C3CCC3)n2)on1 ZINC000584889453 479272366 /nfs/dbraw/zinc/27/23/66/479272366.db2.gz UZCHGBBZEIQCEB-CYBMUJFWSA-N 0 0 345.403 2.723 50 0 EFAARN Cc1nc(C)c(CC(=O)NCc2noc(-c3ccccc3)n2)s1 ZINC000584890625 479272574 /nfs/dbraw/zinc/27/25/74/479272574.db2.gz VOWMOMIAQYBBFK-UHFFFAOYSA-N 0 0 328.397 2.669 50 0 EFAARN CNC(=O)C[C@H](C)N(C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000584892263 479272622 /nfs/dbraw/zinc/27/26/22/479272622.db2.gz IAMSPYYNPHNKRV-NSHDSACASA-N 0 0 343.880 2.598 50 0 EFAARN CC(C)[C@H](CO)NC(=O)c1cccc(-c2ccc3oc(=O)[nH]c3c2)c1 ZINC000584891808 479272667 /nfs/dbraw/zinc/27/26/67/479272667.db2.gz CKZPNUXCQXILQQ-INIZCTEOSA-N 0 0 340.379 2.947 50 0 EFAARN CCc1nccn1C[C@@H](C)NCc1nc(C)cc(C(F)(F)F)n1 ZINC000584891143 479272769 /nfs/dbraw/zinc/27/27/69/479272769.db2.gz KMPOEFWRFUAKSU-LLVKDONJSA-N 0 0 327.354 2.741 50 0 EFAARN Cc1nc(C)n(CCCNC(=O)N2CCCC[C@@H]2c2nccs2)n1 ZINC000584893071 479274211 /nfs/dbraw/zinc/27/42/11/479274211.db2.gz PIUPJWRUDDGFEW-CQSZACIVSA-N 0 0 348.476 2.678 50 0 EFAARN Cc1ccc2ncn(C[C@H]3CC(=O)N(c4ccccc4)C3)c(=O)c2c1 ZINC000584898226 479274952 /nfs/dbraw/zinc/27/49/52/479274952.db2.gz KFOVYMFMWKDWTF-OAHLLOKOSA-N 0 0 333.391 2.758 50 0 EFAARN COC[C@@H]1CCCN1C(=O)NCc1cc(-c2ccc(OC)cc2)on1 ZINC000584898198 479275016 /nfs/dbraw/zinc/27/50/16/479275016.db2.gz UOAFSLGUIRIXQD-HNNXBMFYSA-N 0 0 345.399 2.671 50 0 EFAARN CC[C@H](NC(=O)N(C)Cc1nc2cc(C)ccc2[nH]1)c1nc(C)no1 ZINC000584897653 479275126 /nfs/dbraw/zinc/27/51/26/479275126.db2.gz MVWDIUIZLGZMCN-LBPRGKRZSA-N 0 0 342.403 2.855 50 0 EFAARN c1ccc(-c2noc(=N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)[n-]2)cc1 ZINC000584898635 479275352 /nfs/dbraw/zinc/27/53/52/479275352.db2.gz YBLTXCDWJNFWID-KRWDZBQOSA-N 0 0 335.411 2.630 50 0 EFAARN COc1ccccc1N1C[C@@H](NC(=O)N2CCCCCCC2)CC1=O ZINC000584901512 479276471 /nfs/dbraw/zinc/27/64/71/479276471.db2.gz GOGROVKHAHTDHN-HNNXBMFYSA-N 0 0 345.443 2.776 50 0 EFAARN CCc1[nH]nc(C(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)c1C ZINC000584901494 479276521 /nfs/dbraw/zinc/27/65/21/479276521.db2.gz FRDJHAPJHZKYDP-UHFFFAOYSA-N 0 0 339.399 2.609 50 0 EFAARN COc1ccc(C(=O)N[C@H](c2cccc(C)n2)C2CC2)c(OC)n1 ZINC000584902433 479276545 /nfs/dbraw/zinc/27/65/45/479276545.db2.gz LNHFODCXGQWSDF-INIZCTEOSA-N 0 0 327.384 2.683 50 0 EFAARN O=c1c2c(cccc2C(F)(F)F)ncn1CCNc1cccnc1 ZINC000584903763 479276633 /nfs/dbraw/zinc/27/66/33/479276633.db2.gz FCJUNYBRDHFICZ-UHFFFAOYSA-N 0 0 334.301 2.922 50 0 EFAARN Cc1nnc(SCC(=O)N(C)Cc2ccc3ccccc3n2)o1 ZINC000584901853 479276681 /nfs/dbraw/zinc/27/66/81/479276681.db2.gz NBYVEAFJLRKRPJ-UHFFFAOYSA-N 0 0 328.397 2.677 50 0 EFAARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)NCCCc1nc3ccccc3o1)C2 ZINC000584900622 479276882 /nfs/dbraw/zinc/27/68/82/479276882.db2.gz RHUZWGASUIBKBX-UOIKSKOESA-N 0 0 343.427 2.827 50 0 EFAARN CCCOc1ccccc1CCCn1cnc2c(cnn2C)c1=O ZINC000584903963 479277340 /nfs/dbraw/zinc/27/73/40/479277340.db2.gz OLKLGJQKOYIVIS-UHFFFAOYSA-N 0 0 326.400 2.552 50 0 EFAARN CC(C)c1nc(CCN(C)C(=O)c2ccc3c(c2)CCCO3)no1 ZINC000584904192 479278034 /nfs/dbraw/zinc/27/80/34/479278034.db2.gz HDOFMCJRMXGITN-UHFFFAOYSA-N 0 0 329.400 2.833 50 0 EFAARN CC(C)(C)c1ncc(C(=O)NCc2ccncc2Br)cn1 ZINC000585134305 479295134 /nfs/dbraw/zinc/29/51/34/479295134.db2.gz MKSKLLPLRKTHGB-UHFFFAOYSA-N 0 0 349.232 2.862 50 0 EFAARN CC[C@@](O)(c1nc(C(C)(C)NC(C)=O)no1)c1cccc(Cl)c1 ZINC000585136650 479296081 /nfs/dbraw/zinc/29/60/81/479296081.db2.gz OGXMJCLMRRCWIU-INIZCTEOSA-N 0 0 337.807 2.740 50 0 EFAARN CCOc1ccc(CN2CCc3nc(COC)ncc3C2)cc1F ZINC000585136202 479296330 /nfs/dbraw/zinc/29/63/30/479296330.db2.gz VXBNPPGGOLQPNO-UHFFFAOYSA-N 0 0 331.391 2.719 50 0 EFAARN NC(=O)[C@@H](c1ccccc1)S(=O)(=O)Cc1ccccc1C1CC1 ZINC000585136622 479296372 /nfs/dbraw/zinc/29/63/72/479296372.db2.gz NEOSQPSQORQXIU-QGZVFWFLSA-N 0 0 329.421 2.705 50 0 EFAARN O=c1ccccn1Cc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000585137037 479296455 /nfs/dbraw/zinc/29/64/55/479296455.db2.gz FKHKQWGHIGLWLX-UHFFFAOYSA-N 0 0 327.409 2.876 50 0 EFAARN COC1(c2noc(-c3cccnc3-c3cnn(C)c3)n2)CCCC1 ZINC000585136667 479296744 /nfs/dbraw/zinc/29/67/44/479296744.db2.gz OUVZYCGGPDHNSW-UHFFFAOYSA-N 0 0 325.372 2.948 50 0 EFAARN CO[C@H](C)CS(=O)(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000585136853 479296785 /nfs/dbraw/zinc/29/67/85/479296785.db2.gz VWNBNQHCXGZBGA-SSDOTTSWSA-N 0 0 338.307 2.623 50 0 EFAARN CC(C)[C@@H]1OCC[C@@H]1C(=O)Oc1cccc(N)c1Br ZINC000585139456 479297812 /nfs/dbraw/zinc/29/78/12/479297812.db2.gz CZHUWAACTPRPDH-ZANVPECISA-N 0 0 328.206 2.998 50 0 EFAARN Cc1nccc(OC2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 ZINC000585147036 479299778 /nfs/dbraw/zinc/29/97/78/479299778.db2.gz UMEBDMKOFYEBSB-AWEZNQCLSA-N 0 0 341.411 2.622 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1CC[C@@H](Oc2ccnc(C)n2)C1 ZINC000585147102 479299960 /nfs/dbraw/zinc/29/99/60/479299960.db2.gz HTPZDMFMNJITGM-CYBMUJFWSA-N 0 0 347.802 2.741 50 0 EFAARN COCc1cn([C@@H]2CCN(C(=O)/C=C/c3ccc(Cl)cc3)C2)nn1 ZINC000585149656 479300909 /nfs/dbraw/zinc/30/09/09/479300909.db2.gz HHJINEIDGGQBPT-IEXSPKMKSA-N 0 0 346.818 2.565 50 0 EFAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cnsn2)CC1 ZINC000585148790 479301100 /nfs/dbraw/zinc/30/11/00/479301100.db2.gz IMKDSWMMYSIYND-UHFFFAOYSA-N 0 0 342.346 2.519 50 0 EFAARN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C2CC2)nc1 ZINC000585150408 479301856 /nfs/dbraw/zinc/30/18/56/479301856.db2.gz TXXBVLODFSDHIJ-UHFFFAOYSA-N 0 0 336.388 2.585 50 0 EFAARN O=C(NC[C@@H]1CCCN1c1ncccn1)Nc1c(F)cccc1F ZINC000585150387 479302555 /nfs/dbraw/zinc/30/25/55/479302555.db2.gz DJHGRXLRNWGXDZ-NSHDSACASA-N 0 0 333.342 2.545 50 0 EFAARN COC(=O)[C@@H]1CC12CCN(C(=O)c1cc3cccc(OC)c3o1)CC2 ZINC000575414145 479442421 /nfs/dbraw/zinc/44/24/21/479442421.db2.gz JFXOIVWSZAJRRN-ZDUSSCGKSA-N 0 0 343.379 2.857 50 0 EFAARN C[C@H](CO)NC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000575444513 479446246 /nfs/dbraw/zinc/44/62/46/479446246.db2.gz PGRKGDORMWZKHY-GFCCVEGCSA-N 0 0 327.409 2.711 50 0 EFAARN Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(C)CC1 ZINC000575473013 479446929 /nfs/dbraw/zinc/44/69/29/479446929.db2.gz XPPHBACZKXDZJD-UHFFFAOYSA-N 0 0 327.472 2.771 50 0 EFAARN O=C(NCC[C@@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 ZINC000575608149 479451867 /nfs/dbraw/zinc/45/18/67/479451867.db2.gz PUMVGSLAKHEEHU-LBPRGKRZSA-N 0 0 333.409 2.763 50 0 EFAARN COc1cccc(C(=O)N2CCC[C@@H](Oc3cc(C)nc(C)n3)C2)c1 ZINC000575608052 479451890 /nfs/dbraw/zinc/45/18/90/479451890.db2.gz DFYBGUKAQQOHFN-QGZVFWFLSA-N 0 0 341.411 2.786 50 0 EFAARN CC(=O)OC(C)(C)C(=O)NC[C@@H](c1cccs1)n1nc(C)cc1C ZINC000575610164 479452436 /nfs/dbraw/zinc/45/24/36/479452436.db2.gz LEWVHOGMWSRERA-AWEZNQCLSA-N 0 0 349.456 2.609 50 0 EFAARN CCOc1ccccc1NC(=O)N1CCC[C@H](Oc2ccncn2)C1 ZINC000575610531 479452558 /nfs/dbraw/zinc/45/25/58/479452558.db2.gz VOZAXWRJHNMSAJ-AWEZNQCLSA-N 0 0 342.399 2.951 50 0 EFAARN Cc1cc(O[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)nc(C)n1 ZINC000575610086 479452782 /nfs/dbraw/zinc/45/27/82/479452782.db2.gz SCIMRSMCDGHRKW-QGZVFWFLSA-N 0 0 325.412 2.706 50 0 EFAARN O=C(/C=C/c1ccccc1Cl)N1CC[C@@H](Oc2ccncn2)C1 ZINC000575610633 479452925 /nfs/dbraw/zinc/45/29/25/479452925.db2.gz MCSUYORTSUHORI-VBROQKIQSA-N 0 0 329.787 2.823 50 0 EFAARN Cc1ccc(NC(=O)NCCn2ccnc2-c2cnccn2)cc1C ZINC000575609180 479453046 /nfs/dbraw/zinc/45/30/46/479453046.db2.gz KIYSYTCMZHPXEO-UHFFFAOYSA-N 0 0 336.399 2.779 50 0 EFAARN Cc1nccc(O[C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)n1 ZINC000575608987 479453235 /nfs/dbraw/zinc/45/32/35/479453235.db2.gz HXKQMECPUWFNKN-UZYOAWRESA-N 0 0 329.425 2.930 50 0 EFAARN O=C(Nc1ccc(F)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575611238 479453662 /nfs/dbraw/zinc/45/36/62/479453662.db2.gz CXLYFJRESPCSFY-CYBMUJFWSA-N 0 0 336.754 2.954 50 0 EFAARN O=C(CCSc1ccccc1)N1CC[C@@H](Oc2ncccn2)C1 ZINC000575611460 479453929 /nfs/dbraw/zinc/45/39/29/479453929.db2.gz YLBWFCFTRLLUNH-CQSZACIVSA-N 0 0 329.425 2.639 50 0 EFAARN Cc1nnsc1C(=O)NCCn1nc(C)c(-c2ccsc2)c1C ZINC000575612430 479454013 /nfs/dbraw/zinc/45/40/13/479454013.db2.gz DTVBMNNRZCUKHY-UHFFFAOYSA-N 0 0 347.469 2.818 50 0 EFAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575612634 479454033 /nfs/dbraw/zinc/45/40/33/479454033.db2.gz LOIDWSRYPCGGPN-AWEZNQCLSA-N 0 0 340.358 2.781 50 0 EFAARN O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575612793 479454153 /nfs/dbraw/zinc/45/41/53/479454153.db2.gz NJGPZFOMASUZTI-AWEZNQCLSA-N 0 0 342.786 2.905 50 0 EFAARN COc1ccccc1NC(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575613530 479454241 /nfs/dbraw/zinc/45/42/41/479454241.db2.gz RPLJXXBSIVFJTH-ZDUSSCGKSA-N 0 0 346.362 2.700 50 0 EFAARN O=C(NCCc1ccccc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575613106 479454302 /nfs/dbraw/zinc/45/43/02/479454302.db2.gz OYAHDOODPUJQIN-HNNXBMFYSA-N 0 0 346.818 2.535 50 0 EFAARN COC1CCN(C2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000575611513 479454361 /nfs/dbraw/zinc/45/43/61/479454361.db2.gz ZIFYTIBAGNIHEV-UHFFFAOYSA-N 0 0 343.254 2.929 50 0 EFAARN O=C(/C=C/c1ccco1)NC[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575613878 479454645 /nfs/dbraw/zinc/45/46/45/479454645.db2.gz XKHSTASPQBAUSW-NDDJGDGRSA-N 0 0 341.407 2.723 50 0 EFAARN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575614273 479454820 /nfs/dbraw/zinc/45/48/20/479454820.db2.gz YDBGRMRHMXEQJO-OAHLLOKOSA-N 0 0 340.358 2.781 50 0 EFAARN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575614272 479454913 /nfs/dbraw/zinc/45/49/13/479454913.db2.gz YDBGRMRHMXEQJO-HNNXBMFYSA-N 0 0 340.358 2.781 50 0 EFAARN COC(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC000575613696 479455125 /nfs/dbraw/zinc/45/51/25/479455125.db2.gz SBSXWIBFPVXAOB-QGZVFWFLSA-N 0 0 340.379 2.552 50 0 EFAARN O=C(NCCn1cc(-c2ccco2)cn1)c1ccc2nsnc2c1 ZINC000575614854 479455210 /nfs/dbraw/zinc/45/52/10/479455210.db2.gz KWNPMJXWFWAXOX-UHFFFAOYSA-N 0 0 339.380 2.578 50 0 EFAARN O=C(NCc1ccc(F)cc1)NC[C@H](c1ccco1)n1cccn1 ZINC000575614416 479455220 /nfs/dbraw/zinc/45/52/20/479455220.db2.gz SDGPEBXCGBBRAU-OAHLLOKOSA-N 0 0 328.347 2.704 50 0 EFAARN Cc1ccccc1OCC(=O)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575614149 479455615 /nfs/dbraw/zinc/45/56/15/479455615.db2.gz XBYYMCNVBSBZMO-QGZVFWFLSA-N 0 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CCN(Cc1noc(C2CCC2)n1)[C@@H](C)C(=O)Nc1nccs1 ZINC000065406854 214899068 /nfs/dbraw/zinc/89/90/68/214899068.db2.gz YCTAYYQKOMSOBJ-JTQLQIEISA-N 0 0 335.433 2.643 50 0 EFAARN Cc1cc(C)n(CC2(CNC(=O)c3cc(CC(C)C)nn3C)CC2)n1 ZINC000065409207 214899528 /nfs/dbraw/zinc/89/95/28/214899528.db2.gz SJXSRQNQDBDJKR-UHFFFAOYSA-N 0 0 343.475 2.642 50 0 EFAARN COC(=O)[C@@H](NCCC(=O)Nc1ccccc1C)c1ccccc1 ZINC000065428423 214906880 /nfs/dbraw/zinc/90/68/80/214906880.db2.gz XRMHYEVZYKZSLH-SFHVURJKSA-N 0 0 326.396 2.828 50 0 EFAARN CC(C)c1nnsc1CNC(=O)c1cccc(Cn2cccn2)c1 ZINC000065453615 214914324 /nfs/dbraw/zinc/91/43/24/214914324.db2.gz ZXTHRVBDBQXKDI-UHFFFAOYSA-N 0 0 341.440 2.836 50 0 EFAARN CC(C)C(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000004183306 210140953 /nfs/dbraw/zinc/14/09/53/210140953.db2.gz UVBWCBARTBWPIZ-KRWDZBQOSA-N 0 0 337.485 2.982 50 0 EFAARN COc1ccc(N(C(=O)C2CCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165484 210137285 /nfs/dbraw/zinc/13/72/85/210137285.db2.gz BUTHOQRBIZGQAT-OAHLLOKOSA-N 0 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CC[C@H](C)NC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O ZINC000004089733 210117964 /nfs/dbraw/zinc/11/79/64/210117964.db2.gz FVXUIHYKLJRZEU-JTQLQIEISA-N 0 0 333.384 2.576 50 0 biogenic EFAARN Cc1ccc(Oc2ncccc2C(=O)N[C@H]2CCSC2=O)cc1 ZINC000004084329 210116459 /nfs/dbraw/zinc/11/64/59/210116459.db2.gz WFSKTCABLOEWSA-AWEZNQCLSA-N 0 0 328.393 2.944 50 0 EFAARN CCOC(=O)CSc1nnc(NC(=O)c2cccs2)s1 ZINC000004078365 210115451 /nfs/dbraw/zinc/11/54/51/210115451.db2.gz ZQLDMUSTGVSWTP-UHFFFAOYSA-N 0 0 329.428 2.507 50 0 EFAARN COCCNC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O ZINC000004089952 210117538 /nfs/dbraw/zinc/11/75/38/210117538.db2.gz SYMNHQXSNJKVRT-UHFFFAOYSA-N 0 0 343.379 2.770 50 0 biogenic EFAARN Cc1c(O)ccc2c(C)c(CC(=O)NCc3ccco3)c(=O)oc12 ZINC000004085026 210116581 /nfs/dbraw/zinc/11/65/81/210116581.db2.gz MQOXISVHYFAKGA-UHFFFAOYSA-N 0 0 327.336 2.567 50 0 biogenic EFAARN CCOC(=O)CSc1nnc(NC(=O)c2cccc(F)c2)s1 ZINC000004078382 210115313 /nfs/dbraw/zinc/11/53/13/210115313.db2.gz PBZHVAGJZBQJAE-UHFFFAOYSA-N 0 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ZINC000003885388 210084169 /nfs/dbraw/zinc/08/41/69/210084169.db2.gz QKDMCYVRFMPKIW-UHFFFAOYSA-N 0 0 347.440 2.678 50 0 EFAARN O=C(CC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 ZINC000003885178 210083334 /nfs/dbraw/zinc/08/33/34/210083334.db2.gz WADSRGWSNLQNNM-UHFFFAOYSA-N 0 0 334.419 2.546 50 0 EFAARN COc1cccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1OC ZINC000003623932 210068890 /nfs/dbraw/zinc/06/88/90/210068890.db2.gz SRAPPIDKJLQNAY-KAMYIIQDSA-N 0 0 340.404 2.966 50 0 EFAARN O=C(COC(=O)c1c(F)cccc1Cl)NCCc1ccccc1 ZINC000003620005 210067229 /nfs/dbraw/zinc/06/72/29/210067229.db2.gz JRFJFBZLAXVPCS-UHFFFAOYSA-N 0 0 335.762 2.995 50 0 EFAARN O=C(CSc1nnc2[nH]c3ccccc3n21)N1CCc2ccccc21 ZINC000003599243 210061986 /nfs/dbraw/zinc/06/19/86/210061986.db2.gz BDAYADVRAXHNMB-UHFFFAOYSA-N 0 0 349.419 2.892 50 0 EFAARN O=c1cc(CSc2nncn2-c2ccccc2)nc2sccn21 ZINC000003546106 210052251 /nfs/dbraw/zinc/05/22/51/210052251.db2.gz GEBRWJXAXRKTQM-UHFFFAOYSA-N 0 0 341.421 2.629 50 0 EFAARN COC(=O)CNC(=O)c1cc2sccc2n1Cc1ccccc1F ZINC000044919566 213675447 /nfs/dbraw/zinc/67/54/47/213675447.db2.gz NOZCAFMKOFPKBO-UHFFFAOYSA-N 0 0 346.383 2.793 50 0 EFAARN COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cn1 ZINC000066803512 215080877 /nfs/dbraw/zinc/08/08/77/215080877.db2.gz AKARDUMXGFITDA-UHFFFAOYSA-N 0 0 349.394 2.937 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(C)c1 ZINC000003443562 210041832 /nfs/dbraw/zinc/04/18/32/210041832.db2.gz VJXYBYSPLPUQTE-UHFFFAOYSA-N 0 0 341.363 2.886 50 0 EFAARN COc1ccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 ZINC000003443591 210041272 /nfs/dbraw/zinc/04/12/72/210041272.db2.gz DIPJPJYCBJMRFU-UHFFFAOYSA-N 0 0 327.380 2.785 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2cccc(C)c2)c(OC)c1 ZINC000003442727 210039889 /nfs/dbraw/zinc/03/98/89/210039889.db2.gz DAFXCWQISJHXGG-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc2c(c1)CCCN2 ZINC000077535411 295765744 /nfs/dbraw/zinc/76/57/44/295765744.db2.gz YXSKCQYPBMHKFC-MRXNPFEDSA-N 0 0 330.428 2.503 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 ZINC000003400276 210028226 /nfs/dbraw/zinc/02/82/26/210028226.db2.gz SOSNRBKWUHVANA-UHFFFAOYSA-N 0 0 328.368 2.557 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000003386905 210024934 /nfs/dbraw/zinc/02/49/34/210024934.db2.gz YTVJKPGWTXGKBN-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN Cc1csc(C2=C(N)N(Cc3ccc4c(c3)OCO4)CC2=O)n1 ZINC000102727259 219225578 /nfs/dbraw/zinc/22/55/78/219225578.db2.gz JTTGJXBBNWFMAC-UHFFFAOYSA-N 0 0 329.381 2.942 50 0 EFAARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2cccc(F)c2)c1 ZINC000003397764 210026857 /nfs/dbraw/zinc/02/68/57/210026857.db2.gz VOUFJWCLYMARGO-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(OC)cc2OC)cc1 ZINC000003386787 210025500 /nfs/dbraw/zinc/02/55/00/210025500.db2.gz HWTUCSDFXVOQMO-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN COc1cc(NC(=O)COC(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000003388476 210025233 /nfs/dbraw/zinc/02/52/33/210025233.db2.gz BYNUFBQDFDHFKR-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 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CC[C@@H]1CN(C(=O)c2cc(C)on2)CCC(=O)N1Cc1ccccc1 ZINC000071755213 215813340 /nfs/dbraw/zinc/81/33/40/215813340.db2.gz SLMNVVOSLHOPGM-MRXNPFEDSA-N 0 0 341.411 2.636 50 0 EFAARN CN1c2ccccc2[C@@](CC(=O)NCCF)(Cc2ccccc2)C1=O ZINC000071761993 215817545 /nfs/dbraw/zinc/81/75/45/215817545.db2.gz FOBKAQRHKROMPZ-FQEVSTJZSA-N 0 0 340.398 2.619 50 0 EFAARN Cc1ccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1 ZINC000033363065 212930819 /nfs/dbraw/zinc/93/08/19/212930819.db2.gz KNCAGDCOZZAIBL-WJDWOHSUSA-N 0 0 333.416 2.983 50 0 EFAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc4nnc(C)n4c3)c2c1 ZINC000033020978 212889382 /nfs/dbraw/zinc/88/93/82/212889382.db2.gz YWGKMPXYDOMDAG-UHFFFAOYSA-N 0 0 349.394 2.500 50 0 EFAARN NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000000416784 209581037 /nfs/dbraw/zinc/58/10/37/209581037.db2.gz AKJYJPFUPCNNMH-UHFFFAOYSA-N 0 0 345.815 2.560 50 0 EFAARN COc1cccc(-c2nnc(SCC(=O)N3CCCCC3)o2)c1 ZINC000000417701 209580642 /nfs/dbraw/zinc/58/06/42/209580642.db2.gz PNUPOAKZBMVMNM-UHFFFAOYSA-N 0 0 333.413 2.850 50 0 EFAARN CC(C)CC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000032096012 212789065 /nfs/dbraw/zinc/78/90/65/212789065.db2.gz IHUPEXMTXDNUBU-UHFFFAOYSA-N 0 0 327.428 2.509 50 0 EFAARN O=C(c1ccccn1)[C@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000072122440 216014940 /nfs/dbraw/zinc/01/49/40/216014940.db2.gz PFUHVQQLBQDDJD-INIZCTEOSA-N 0 0 347.422 2.757 50 0 EFAARN CN(C)Cc1nc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000072122576 216015568 /nfs/dbraw/zinc/01/55/68/216015568.db2.gz GPEHAQBYPUKYRB-OAHLLOKOSA-N 0 0 344.484 2.921 50 0 EFAARN CC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000032069961 212784187 /nfs/dbraw/zinc/78/41/87/212784187.db2.gz SQSIUSANDQVYKF-UHFFFAOYSA-N 0 0 349.390 2.799 50 0 EFAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000072123927 216016344 /nfs/dbraw/zinc/01/63/44/216016344.db2.gz XKKUXEFDCVSMQS-HNNXBMFYSA-N 0 0 349.437 2.586 50 0 EFAARN COCc1ccc(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)o1 ZINC000072126593 216018062 /nfs/dbraw/zinc/01/80/62/216018062.db2.gz DCAXDQGXRIZCGZ-IBGZPJMESA-N 0 0 340.379 2.552 50 0 EFAARN CCCn1ccnc1CNc1nc(-c2ccncc2)nc2c1cnn2C ZINC000072140423 216027368 /nfs/dbraw/zinc/02/73/68/216027368.db2.gz RIOVTEONDOPGKO-UHFFFAOYSA-N 0 0 348.414 2.644 50 0 EFAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1ccccc1-n1cccn1 ZINC000072130795 216021381 /nfs/dbraw/zinc/02/13/81/216021381.db2.gz OLEAMZGDHLKFNU-IBGZPJMESA-N 0 0 325.412 2.934 50 0 EFAARN O=C1CCCN1CCNc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072133531 216022624 /nfs/dbraw/zinc/02/26/24/216022624.db2.gz JWLYQZXNBJPGGB-UHFFFAOYSA-N 0 0 339.374 2.570 50 0 EFAARN Cc1cccc(C)c1OC1CN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000072134607 216023222 /nfs/dbraw/zinc/02/32/22/216023222.db2.gz JFLWPIGHTLAYJQ-UHFFFAOYSA-N 0 0 338.455 2.957 50 0 EFAARN CCCc1cc(N[C@H]2CC(=O)N(CCc3ccccc3)C2)nc(C)n1 ZINC000072134663 216024012 /nfs/dbraw/zinc/02/40/12/216024012.db2.gz GJXMVUFFYSIOTF-SFHVURJKSA-N 0 0 338.455 2.993 50 0 EFAARN COCCn1cncc1CN1CCC[C@H](C(=O)Cc2ccccc2)C1 ZINC000072137341 216024519 /nfs/dbraw/zinc/02/45/19/216024519.db2.gz LOMUIVMPJMJBSI-SFHVURJKSA-N 0 0 341.455 2.553 50 0 EFAARN CCOC(=O)C[C@H](C)Nc1nc(C2CCCC2)nc2c1cnn2C ZINC000072140194 216025975 /nfs/dbraw/zinc/02/59/75/216025975.db2.gz NLXJFYXONIWIRU-NSHDSACASA-N 0 0 331.420 2.775 50 0 EFAARN O=C(NCc1cccc(F)c1)N1CCCC[C@H]1CCN1CCOCC1 ZINC000072143261 216029503 /nfs/dbraw/zinc/02/95/03/216029503.db2.gz SMFFVUZQJXDRJH-SFHVURJKSA-N 0 0 349.450 2.612 50 0 EFAARN CCn1ncc(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)c1C ZINC000072144285 216030450 /nfs/dbraw/zinc/03/04/50/216030450.db2.gz FUHSJZDJVXFCRX-INIZCTEOSA-N 0 0 333.457 2.910 50 0 EFAARN CN(Cc1noc(C2CCCC2)n1)C(=O)c1cnn2c1CCCC2 ZINC000072146091 216031669 /nfs/dbraw/zinc/03/16/69/216031669.db2.gz IKKOBSASVUIPFX-UHFFFAOYSA-N 0 0 329.404 2.532 50 0 EFAARN CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(C3CC3)ncn1)CC2 ZINC000072145262 216032670 /nfs/dbraw/zinc/03/26/70/216032670.db2.gz KNJAUWRSHOEUJP-MRXNPFEDSA-N 0 0 344.459 2.510 50 0 EFAARN CN(Cc1cn(-c2ccccc2)nn1)Cc1nnc(-c2ccccc2)o1 ZINC000072146418 216033673 /nfs/dbraw/zinc/03/36/73/216033673.db2.gz MEYUFNONDYWCRQ-UHFFFAOYSA-N 0 0 346.394 2.949 50 0 EFAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(-n2cccn2)cc1 ZINC000072147395 216034603 /nfs/dbraw/zinc/03/46/03/216034603.db2.gz FCQOQABPKGABOJ-IBGZPJMESA-N 0 0 325.412 2.934 50 0 EFAARN COCc1ncc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cn1 ZINC000072153606 216042037 /nfs/dbraw/zinc/04/20/37/216042037.db2.gz FPTHDWBUHCDYTF-UHFFFAOYSA-N 0 0 339.439 2.746 50 0 EFAARN CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(CC)nc(C)n1)CC2 ZINC000072147522 216034968 /nfs/dbraw/zinc/03/49/68/216034968.db2.gz JXXVPTPHFROKBB-MRXNPFEDSA-N 0 0 346.475 2.503 50 0 EFAARN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 ZINC000072147799 216035146 /nfs/dbraw/zinc/03/51/46/216035146.db2.gz JHUOEMVPMNYBOZ-CQSZACIVSA-N 0 0 341.455 2.782 50 0 EFAARN Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000072148831 216036418 /nfs/dbraw/zinc/03/64/18/216036418.db2.gz MMAVFZLTCKOYIW-HNNXBMFYSA-N 0 0 329.375 2.539 50 0 EFAARN CC(C)c1cc(NC[C@@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1 ZINC000072150113 216037715 /nfs/dbraw/zinc/03/77/15/216037715.db2.gz XRVYAHUFRZGRRT-AWEZNQCLSA-N 0 0 341.459 2.913 50 0 EFAARN O=C(c1cnc(Nc2ccccc2)nc1)N1CC(c2ccccn2)C1 ZINC000072150425 216037809 /nfs/dbraw/zinc/03/78/09/216037809.db2.gz ICZYELYYNORATO-UHFFFAOYSA-N 0 0 331.379 2.855 50 0 EFAARN O=C1CC[C@]2(CCCO2)CCN1Cc1cc(-c2ccccn2)no1 ZINC000072161780 216050081 /nfs/dbraw/zinc/05/00/81/216050081.db2.gz LACAMCZUHXEXQW-GOSISDBHSA-N 0 0 327.384 2.798 50 0 EFAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccnn3C(C)C)ccc12 ZINC000031840679 212751634 /nfs/dbraw/zinc/75/16/34/212751634.db2.gz BYENYHNLDISIDH-UHFFFAOYSA-N 0 0 341.367 2.896 50 0 biogenic EFAARN CCc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)nc1 ZINC000072161827 216050711 /nfs/dbraw/zinc/05/07/11/216050711.db2.gz UAIWAUSSNSFTID-UHFFFAOYSA-N 0 0 349.438 2.864 50 0 EFAARN CSCc1noc(CNc2nc(C(C)(C)C)nc3c2cnn3C)n1 ZINC000072154685 216043488 /nfs/dbraw/zinc/04/34/88/216043488.db2.gz ZNOZBRNMSQKOQR-UHFFFAOYSA-N 0 0 347.448 2.519 50 0 EFAARN COCc1nc(CN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 ZINC000072154351 216043877 /nfs/dbraw/zinc/04/38/77/216043877.db2.gz IZCCFBPIMFASMS-CQSZACIVSA-N 0 0 345.378 2.959 50 0 EFAARN Cc1nc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccccc2)cn1C ZINC000072154866 216044398 /nfs/dbraw/zinc/04/43/98/216044398.db2.gz ZWZBPJFXUYYUSC-QGZVFWFLSA-N 0 0 347.484 2.905 50 0 EFAARN CCc1nc(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)ncc1C ZINC000072156917 216046841 /nfs/dbraw/zinc/04/68/41/216046841.db2.gz OTQOCCLZFWAIAE-INIZCTEOSA-N 0 0 342.418 2.742 50 0 EFAARN CCc1cc(N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)nc(C)n1 ZINC000072156932 216046964 /nfs/dbraw/zinc/04/69/64/216046964.db2.gz SCPYWQNEXWEELA-QGZVFWFLSA-N 0 0 342.418 2.742 50 0 EFAARN C[C@@]1(O)CCN(C(=O)c2cnn3ccccc23)C[C@@H]1Cc1ccccc1 ZINC000072157565 216047437 /nfs/dbraw/zinc/04/74/37/216047437.db2.gz QKGIRWJEIMOKCG-LAUBAEHRSA-N 0 0 349.434 2.790 50 0 EFAARN CC[C@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1nc(C)no1 ZINC000072158701 216047801 /nfs/dbraw/zinc/04/78/01/216047801.db2.gz NMMGDFWPKPDKMI-NSHDSACASA-N 0 0 329.408 2.915 50 0 EFAARN CC[C@@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1nc(C)no1 ZINC000072158703 216048661 /nfs/dbraw/zinc/04/86/61/216048661.db2.gz NMMGDFWPKPDKMI-LLVKDONJSA-N 0 0 329.408 2.915 50 0 EFAARN O=C(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccsc2)C1 ZINC000072165099 216053698 /nfs/dbraw/zinc/05/36/98/216053698.db2.gz JHUWSQCCYHRFGE-OAHLLOKOSA-N 0 0 349.477 2.961 50 0 EFAARN Fc1cccc(CN2CCN(Cc3cccc4nonc43)CC2)c1 ZINC000072165462 216053975 /nfs/dbraw/zinc/05/39/75/216053975.db2.gz IFFWNHGVCPGLOR-UHFFFAOYSA-N 0 0 326.375 2.680 50 0 EFAARN CC(C)C[C@@H](O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1 ZINC000072165304 216054628 /nfs/dbraw/zinc/05/46/28/216054628.db2.gz OAUSJPPHMLBBSZ-GOSISDBHSA-N 0 0 333.476 2.843 50 0 EFAARN COCCNc1cc(-c2cc(C)c3nc(C)nn3c2)c2cc[nH]c2n1 ZINC000072166887 216056814 /nfs/dbraw/zinc/05/68/14/216056814.db2.gz NQSXTDQXOGZQNE-UHFFFAOYSA-N 0 0 336.399 2.948 50 0 EFAARN Cc1ccc([C@@H]2C[N@H+](CCCC(=O)[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072166901 216058029 /nfs/dbraw/zinc/05/80/29/216058029.db2.gz QNIBWSRTDROONC-DFQSSKMNSA-N 0 0 328.456 2.722 50 0 EFAARN C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)c3cccc(F)c3[n-]2)CC1 ZINC000072169913 216060472 /nfs/dbraw/zinc/06/04/72/216060472.db2.gz GYAPZTMFXSROSG-GFCCVEGCSA-N 0 0 331.391 2.636 50 0 EFAARN COc1c(F)cccc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000072171238 216062166 /nfs/dbraw/zinc/06/21/66/216062166.db2.gz CKWYXVMNFZPASY-AWEZNQCLSA-N 0 0 348.418 2.745 50 0 EFAARN CC(C)c1cncnc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072172879 216064154 /nfs/dbraw/zinc/06/41/54/216064154.db2.gz MUOOAKINFNMLQO-INIZCTEOSA-N 0 0 342.418 2.995 50 0 EFAARN CCc1ncc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cn1 ZINC000072174523 216064907 /nfs/dbraw/zinc/06/49/07/216064907.db2.gz NIPDGUGGXXPFLQ-INIZCTEOSA-N 0 0 328.391 2.895 50 0 EFAARN CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2cccc(OC)c2)c1C ZINC000072239057 216078675 /nfs/dbraw/zinc/07/86/75/216078675.db2.gz NGDPPRRBPHJRHO-NSHDSACASA-N 0 0 337.445 2.568 50 0 EFAARN Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)cc1 ZINC000072239692 216078937 /nfs/dbraw/zinc/07/89/37/216078937.db2.gz GJDXNTFZOUXHAT-KRWDZBQOSA-N 0 0 342.464 2.906 50 0 EFAARN Cc1c(CNC(=O)c2nnsc2-c2ccc(Cl)cc2)cnn1C ZINC000072242882 216082287 /nfs/dbraw/zinc/08/22/87/216082287.db2.gz YLEBNOYHCATTIF-UHFFFAOYSA-N 0 0 347.831 2.830 50 0 EFAARN COc1cc(C(=O)N[C@H]2CCc3nc(C)cn3C2)cc(Cl)c1OC ZINC000072278879 216106566 /nfs/dbraw/zinc/10/65/66/216106566.db2.gz NMWIUIQDGUBFND-LBPRGKRZSA-N 0 0 349.818 2.607 50 0 EFAARN CCc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1 ZINC000072279227 216106877 /nfs/dbraw/zinc/10/68/77/216106877.db2.gz RKCPYMCUWWKYDK-SECBINFHSA-N 0 0 327.310 2.825 50 0 EFAARN CCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000000386178 209564807 /nfs/dbraw/zinc/56/48/07/209564807.db2.gz WFCIWQKUYZCSLE-UHFFFAOYSA-N 0 0 344.864 2.730 50 0 EFAARN CCOC(=O)c1cnn(-c2cc(OC)nc(-c3ccccc3)n2)c1C ZINC000000385156 209563512 /nfs/dbraw/zinc/56/35/12/209563512.db2.gz IRNZKHHHGCXXOA-UHFFFAOYSA-N 0 0 338.367 2.823 50 0 EFAARN COc1cccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 ZINC000000391427 209567418 /nfs/dbraw/zinc/56/74/18/209567418.db2.gz RFUIOZGGTKVDGL-UHFFFAOYSA-N 0 0 328.755 2.941 50 0 EFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1CCCO1 ZINC000000375223 209557387 /nfs/dbraw/zinc/55/73/87/209557387.db2.gz BPCPBDOHJNBSSC-JTQLQIEISA-N 0 0 325.386 2.553 50 0 EFAARN NC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000000354256 209546826 /nfs/dbraw/zinc/54/68/26/209546826.db2.gz MBACYXWIPQUEBZ-UHFFFAOYSA-N 0 0 344.392 2.707 50 0 EFAARN Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 ZINC000000311288 209529149 /nfs/dbraw/zinc/52/91/49/209529149.db2.gz LFSDXLXLPAGPHE-UHFFFAOYSA-N 0 0 338.436 2.984 50 0 EFAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1Br ZINC000000319169 209536201 /nfs/dbraw/zinc/53/62/01/209536201.db2.gz RUWSQORWAIYGOH-GFCCVEGCSA-N 0 0 328.206 2.767 50 0 EFAARN [NH2+]=C1NC([O-])=C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)S1 ZINC000000307449 209527913 /nfs/dbraw/zinc/52/79/13/209527913.db2.gz OPNZXNDTLOAKIE-AWEZNQCLSA-N 0 0 341.392 2.764 50 0 EFAARN CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(N(C)C)cc2)C1=O ZINC000000302257 209524173 /nfs/dbraw/zinc/52/41/73/209524173.db2.gz GJVIWWNBXLBCKL-HXUWFJFHSA-N 0 0 338.407 2.580 50 0 EFAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(N)=O)n2)cc1 ZINC000000286443 209519159 /nfs/dbraw/zinc/51/91/59/209519159.db2.gz IWWHTQSADNYGFE-UHFFFAOYSA-N 0 0 343.330 2.748 50 0 EFAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000029677207 212677386 /nfs/dbraw/zinc/67/73/86/212677386.db2.gz BSRLJIZIYLWQOP-ZDUSSCGKSA-N 0 0 342.370 2.713 50 0 EFAARN CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1 ZINC000000248124 209503665 /nfs/dbraw/zinc/50/36/65/209503665.db2.gz AUUMHQSQDCDATO-VMBOVVBDSA-N 0 0 331.460 2.665 50 0 EFAARN CCCCN(C)C(=O)COC(=O)c1ccccc1Br ZINC000072330007 216153399 /nfs/dbraw/zinc/15/33/99/216153399.db2.gz JOMJCTTUPOWPNS-UHFFFAOYSA-N 0 0 328.206 2.864 50 0 EFAARN Cc1nn(-c2ccccc2)c(N)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000072333074 216155943 /nfs/dbraw/zinc/15/59/43/216155943.db2.gz UTOXZMISQVTXKY-INIZCTEOSA-N 0 0 346.390 2.810 50 0 EFAARN Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1 ZINC000072316228 216148619 /nfs/dbraw/zinc/14/86/19/216148619.db2.gz HGVHSNXRZYOTPD-UHFFFAOYSA-N 0 0 335.385 2.530 50 0 in-vitro EFAARN Cn1c2ccccc2nc(CCC(=O)Nc2ccc3cc[nH]c3c2)c1=O ZINC000072325277 216151097 /nfs/dbraw/zinc/15/10/97/216151097.db2.gz WBYAHRARNZSGGZ-UHFFFAOYSA-N 0 0 346.390 2.986 50 0 biogenic EFAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1C(=O)c2ccccc2C1=O ZINC000000193320 209475122 /nfs/dbraw/zinc/47/51/22/209475122.db2.gz YLIGLOWKZYTPQO-VIFPVBQESA-N 0 0 330.290 2.588 50 0 EFAARN COc1ccc(NC(=O)c2cc3c(c(OC)ccc3OC)n2C)cn1 ZINC000072402361 216195213 /nfs/dbraw/zinc/19/52/13/216195213.db2.gz HBZRTYXRFMQHKO-UHFFFAOYSA-N 0 0 341.367 2.851 50 0 EFAARN Cc1nnsc1-c1nnc2sc(-c3cc(F)ccc3F)nn21 ZINC000072404286 216196050 /nfs/dbraw/zinc/19/60/50/216196050.db2.gz XMPCEJULLKQAAX-UHFFFAOYSA-N 0 0 336.352 2.958 50 0 EFAARN O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)OC1CCCCC1 ZINC000000148776 209452340 /nfs/dbraw/zinc/45/23/40/209452340.db2.gz WFVLQSFCKGLEON-UHFFFAOYSA-N 0 0 347.440 2.608 50 0 EFAARN CCOC(=O)[C@@H](C)Oc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000145857 209449185 /nfs/dbraw/zinc/44/91/85/209449185.db2.gz QMVWOSBCJAFHHB-CQSZACIVSA-N 0 0 327.380 2.947 50 0 EFAARN O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000142213 209446746 /nfs/dbraw/zinc/44/67/46/209446746.db2.gz JNTHIVSJYZSLTQ-UHFFFAOYSA-N 0 0 344.436 2.652 50 0 EFAARN COC(=O)COc1cc2occ(-c3cscn3)c(=O)c2cc1C ZINC000000138811 209444425 /nfs/dbraw/zinc/44/44/25/209444425.db2.gz KBTPBSJQZAFHSF-UHFFFAOYSA-N 0 0 331.349 2.777 50 0 biogenic EFAARN CC(C)c1nnc(NC(=O)CCCc2nnc3ccccn32)s1 ZINC000072402533 216194552 /nfs/dbraw/zinc/19/45/52/216194552.db2.gz HFNKWBMGYFZTAQ-UHFFFAOYSA-N 0 0 330.417 2.666 50 0 EFAARN Cn1c(=O)cc(C(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 ZINC000072403736 216194862 /nfs/dbraw/zinc/19/48/62/216194862.db2.gz LQBDCGZSBPAKBS-IBGZPJMESA-N 0 0 348.402 2.752 50 0 EFAARN CC(=O)Nc1cccc(NC(=O)c2cc(=O)n(C)c3ccccc23)c1 ZINC000072402825 216194999 /nfs/dbraw/zinc/19/49/99/216194999.db2.gz SZOGCXHLPFKFTD-UHFFFAOYSA-N 0 0 335.363 2.749 50 0 EFAARN CC(C)C[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccccn1 ZINC000072402598 216195020 /nfs/dbraw/zinc/19/50/20/216195020.db2.gz JHRJZBZXUMWECI-KRWDZBQOSA-N 0 0 338.411 2.960 50 0 EFAARN COc1cccc2c1ccn2CCNC(=O)c1[nH]nc2ccccc21 ZINC000072402866 216195077 /nfs/dbraw/zinc/19/50/77/216195077.db2.gz MLVCJNGVAHRHKK-UHFFFAOYSA-N 0 0 334.379 2.956 50 0 EFAARN COc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000119623 209434388 /nfs/dbraw/zinc/43/43/88/209434388.db2.gz OKRBKXNZWAWLKO-GFCCVEGCSA-N 0 0 329.352 2.872 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N(C)[C@H](C)Cc2ccccc2)c1 ZINC000072408201 216200216 /nfs/dbraw/zinc/20/02/16/216200216.db2.gz AKMREHBAMOPAJX-CQSZACIVSA-N 0 0 349.452 2.956 50 0 EFAARN COc1ccccc1CNS(=O)(=O)c1cccc2cccnc21 ZINC000000118389 209432770 /nfs/dbraw/zinc/43/27/70/209432770.db2.gz PGWRAWIVDCHAIJ-UHFFFAOYSA-N 0 0 328.393 2.722 50 0 EFAARN COCCNc1cc(-c2cccc(-n3cnnc3)c2)c2cc[nH]c2n1 ZINC000072409655 216200915 /nfs/dbraw/zinc/20/09/15/216200915.db2.gz MDIANXDTBFUJNV-UHFFFAOYSA-N 0 0 334.383 2.869 50 0 EFAARN O=C(CCCC(=O)n1nnc2ccccc21)Oc1ccccc1F ZINC000000136120 209442746 /nfs/dbraw/zinc/44/27/46/209442746.db2.gz GLXCVIBYHFRQCF-UHFFFAOYSA-N 0 0 327.315 2.987 50 0 EFAARN O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000028404205 212617769 /nfs/dbraw/zinc/61/77/69/212617769.db2.gz JQUNZDVIDKKMSL-CYBMUJFWSA-N 0 0 330.334 2.952 50 0 EFAARN O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000000134251 209441836 /nfs/dbraw/zinc/44/18/36/209441836.db2.gz DLPFAELBHIJKPK-UHFFFAOYSA-N 0 0 325.368 2.803 50 0 EFAARN CCOc1ccc(-c2csc3ncn(CC(=O)OC)c(=O)c23)cc1 ZINC000000131737 209440740 /nfs/dbraw/zinc/44/07/40/209440740.db2.gz PMWWLSKFNXCEQB-UHFFFAOYSA-N 0 0 344.392 2.697 50 0 EFAARN Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2nccs2)C1 ZINC000072407596 216198274 /nfs/dbraw/zinc/19/82/74/216198274.db2.gz KRDOMJOXNCDOMU-AWEZNQCLSA-N 0 0 346.504 2.642 50 0 EFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl ZINC000000123757 209436879 /nfs/dbraw/zinc/43/68/79/209436879.db2.gz MEPVXMDQHJBYII-UHFFFAOYSA-N 0 0 328.755 2.965 50 0 EFAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000123916 209436340 /nfs/dbraw/zinc/43/63/40/209436340.db2.gz CCKPEIMYOPVTAS-LLVKDONJSA-N 0 0 336.347 2.512 50 0 EFAARN CCOc1cc(S(=O)(=O)NCC(C)C)ccc1Br ZINC000072414538 216205461 /nfs/dbraw/zinc/20/54/61/216205461.db2.gz OVHIVPHQKOCJOE-UHFFFAOYSA-N 0 0 336.251 2.782 50 0 EFAARN O=C1Nc2ccc(S(=O)(=O)NCc3ccccc3)c3cccc1c23 ZINC000000079300 209405817 /nfs/dbraw/zinc/40/58/17/209405817.db2.gz DBYKCLZBFHUGGD-UHFFFAOYSA-N 0 0 338.388 2.884 50 0 EFAARN O=C1C(Cl)=C(Nc2ccc3c(c2)OCO3)C(=O)N1c1ccccc1 ZINC000000077051 209405011 /nfs/dbraw/zinc/40/50/11/209405011.db2.gz ONCDZVNRKJIJQM-UHFFFAOYSA-N 0 0 342.738 2.851 50 0 EFAARN Cc1cc2nc(-c3ccccc3)cc(NCCCn3cncn3)n2n1 ZINC000072420147 216208700 /nfs/dbraw/zinc/20/87/00/216208700.db2.gz LLKUIMLUTPJVBW-UHFFFAOYSA-N 0 0 333.399 2.798 50 0 EFAARN Cc1c[nH]c(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)n1 ZINC000072419960 216208893 /nfs/dbraw/zinc/20/88/93/216208893.db2.gz OKGAGAGPMNZSKE-UHFFFAOYSA-N 0 0 325.420 2.689 50 0 EFAARN Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000072419914 216209032 /nfs/dbraw/zinc/20/90/32/216209032.db2.gz OOYOTOFIQDACCX-UHFFFAOYSA-N 0 0 348.410 2.590 50 0 EFAARN COCC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)CCC1 ZINC000072421599 216209704 /nfs/dbraw/zinc/20/97/04/216209704.db2.gz LGGGBNNGRPKJLU-MRXNPFEDSA-N 0 0 334.435 2.723 50 0 EFAARN COc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1 ZINC000000092956 209415563 /nfs/dbraw/zinc/41/55/63/209415563.db2.gz ZGATUDMXDWUJET-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 ZINC000000087964 209412637 /nfs/dbraw/zinc/41/26/37/209412637.db2.gz KNVBASTZZCQLRI-ZDUSSCGKSA-N 0 0 344.798 2.715 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 ZINC000000087967 209412552 /nfs/dbraw/zinc/41/25/52/209412552.db2.gz KNVBASTZZCQLRI-CYBMUJFWSA-N 0 0 344.798 2.715 50 0 EFAARN CC(C)(C)C(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072421826 216210132 /nfs/dbraw/zinc/21/01/32/216210132.db2.gz ZAKWOGGMJZMXAR-FQEVSTJZSA-N 0 0 343.471 2.859 50 0 EFAARN CN(C)S(=O)(=O)CCn1ccnc1-c1ccc(-c2ccco2)cc1 ZINC000072422163 216210397 /nfs/dbraw/zinc/21/03/97/216210397.db2.gz YZEKFBOMGGJHJB-UHFFFAOYSA-N 0 0 345.424 2.702 50 0 EFAARN CCc1nnsc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072422194 216210583 /nfs/dbraw/zinc/21/05/83/216210583.db2.gz KLADALRXYOJULI-NSHDSACASA-N 0 0 341.440 2.997 50 0 EFAARN CCN(Cc1noc(C)n1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072422318 216211916 /nfs/dbraw/zinc/21/19/16/216211916.db2.gz HJPTUJHLAUQGNH-UHFFFAOYSA-N 0 0 331.416 2.744 50 0 EFAARN COc1ccccc1/C=c1\sc2nnc(-c3ccc(C)cc3)n2c1=O ZINC000000082921 209408642 /nfs/dbraw/zinc/40/86/42/209408642.db2.gz WSSONZHSVINBMP-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN Cn1ncnc1CCn1ccnc1-c1cnc(C2CCCCC2)nc1 ZINC000072422823 216212343 /nfs/dbraw/zinc/21/23/43/216212343.db2.gz WPCGPKURDKCGSG-UHFFFAOYSA-N 0 0 337.431 2.759 50 0 EFAARN Cc1nc(CC(=O)N2CCC[C@@H](OCc3ccccn3)C2)cs1 ZINC000072422354 216212394 /nfs/dbraw/zinc/21/23/94/216212394.db2.gz LCYFMBJHLWURFK-MRXNPFEDSA-N 0 0 331.441 2.597 50 0 EFAARN CCCc1nc(C(=O)N2CCC[C@]3(CCC(=O)N(CC)C3)C2)cs1 ZINC000072426458 216217070 /nfs/dbraw/zinc/21/70/70/216217070.db2.gz DYZDQZKAYCSHDA-GOSISDBHSA-N 0 0 349.500 2.960 50 0 EFAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 ZINC000000069728 209399208 /nfs/dbraw/zinc/39/92/08/209399208.db2.gz ZYRGEIDNAZDGJD-QGZVFWFLSA-N 0 0 338.363 2.764 50 0 EFAARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(OC)cc1)C(=O)N2 ZINC000000068071 209398553 /nfs/dbraw/zinc/39/85/53/209398553.db2.gz DZGKSMHCPIDEJA-IBGZPJMESA-N 0 0 325.364 2.670 50 0 EFAARN CCOC(=O)Cc1csc2nc3sc4c(c3c(=O)n12)CCCC4 ZINC000000067611 209397971 /nfs/dbraw/zinc/39/79/71/209397971.db2.gz FPBGJXZXWXBVDK-UHFFFAOYSA-N 0 0 348.449 2.955 50 0 EFAARN COCCN1CCC[C@@]2(CCN(c3ccc4ccccc4n3)C2)C1=O ZINC000072424349 216213964 /nfs/dbraw/zinc/21/39/64/216213964.db2.gz QPVJFTDVWVAZME-FQEVSTJZSA-N 0 0 339.439 2.700 50 0 EFAARN CCc1cc(NCc2nc(Cc3ccccc3)no2)n2nccc2n1 ZINC000072424494 216214848 /nfs/dbraw/zinc/21/48/48/216214848.db2.gz YYQSYVRQQHOPCL-UHFFFAOYSA-N 0 0 334.383 2.878 50 0 EFAARN O=C(N[C@@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 ZINC000000057038 209393492 /nfs/dbraw/zinc/39/34/92/209393492.db2.gz BABUDAQOHSIBJR-GOSISDBHSA-N 0 0 329.363 2.803 50 0 EFAARN O=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1 ZINC000000057037 209393111 /nfs/dbraw/zinc/39/31/11/209393111.db2.gz BABUDAQOHSIBJR-SFHVURJKSA-N 0 0 329.363 2.803 50 0 EFAARN COc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)c1 ZINC000072424967 216215307 /nfs/dbraw/zinc/21/53/07/216215307.db2.gz SDUAIMNVMKSFKY-AWEZNQCLSA-N 0 0 341.411 2.604 50 0 EFAARN Fc1cccc(Cl)c1Cn1nnc(-c2ccc3c(c2)OCO3)n1 ZINC000000053548 209391671 /nfs/dbraw/zinc/39/16/71/209391671.db2.gz RMCVPFPCKDTWRN-UHFFFAOYSA-N 0 0 332.722 2.910 50 0 EFAARN COc1cccc(-n2cc(CN(C)C(=O)c3nc(C)oc3C)cn2)c1 ZINC000072425401 216215668 /nfs/dbraw/zinc/21/56/68/216215668.db2.gz IIFQOEPIGCABIP-UHFFFAOYSA-N 0 0 340.383 2.758 50 0 EFAARN COC(=O)c1ccccc1NC(=O)CSc1nc(C)cc(C)n1 ZINC000000050761 209390387 /nfs/dbraw/zinc/39/03/87/209390387.db2.gz BZGMFGOFHNZJAZ-UHFFFAOYSA-N 0 0 331.397 2.611 50 0 EFAARN CCOc1ccc(C(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000000049068 209389741 /nfs/dbraw/zinc/38/97/41/209389741.db2.gz LKURQWFSVKTKIC-QGZVFWFLSA-N 0 0 327.380 2.901 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000047666 209389444 /nfs/dbraw/zinc/38/94/44/209389444.db2.gz IXKWTAAJCJAUIL-UHFFFAOYSA-N 0 0 345.351 2.751 50 0 biogenic,in-vitro EFAARN O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000000045536 209387934 /nfs/dbraw/zinc/38/79/34/209387934.db2.gz HBYRTPWYVCHCLR-MRXNPFEDSA-N 0 0 346.180 2.862 50 0 EFAARN CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000000044507 209387182 /nfs/dbraw/zinc/38/71/82/209387182.db2.gz CKIITAMTFZJNHS-MRXNPFEDSA-N 0 0 346.383 2.633 50 0 EFAARN O=C(c1cccc(CO)n1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072428936 216221132 /nfs/dbraw/zinc/22/11/32/216221132.db2.gz GEZHXBMIYSEJGL-CQSZACIVSA-N 0 0 344.386 2.644 50 0 EFAARN Cc1ccc([C@@H](C)CC[NH+]2CCC(C(=O)[O-])(n3ccnc3)CC2)o1 ZINC000072429734 216221825 /nfs/dbraw/zinc/22/18/25/216221825.db2.gz UAKFTAULNOYXNB-AWEZNQCLSA-N 0 0 331.416 2.854 50 0 EFAARN Cc1ccc([C@H](C)CC[NH+]2CCC(C(=O)[O-])(n3ccnc3)CC2)o1 ZINC000072429735 216222035 /nfs/dbraw/zinc/22/20/35/216222035.db2.gz UAKFTAULNOYXNB-CQSZACIVSA-N 0 0 331.416 2.854 50 0 EFAARN Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)n2nccc2n1 ZINC000072431494 216223050 /nfs/dbraw/zinc/22/30/50/216223050.db2.gz OXHSXKMRDVYTNH-UHFFFAOYSA-N 0 0 334.383 2.506 50 0 EFAARN Cc1ccc(N2CCO[C@H](C(=O)Nc3cccc(C(C)C)c3)C2)nn1 ZINC000072431154 216223097 /nfs/dbraw/zinc/22/30/97/216223097.db2.gz OUTHLUUVJDCTKV-KRWDZBQOSA-N 0 0 340.427 2.752 50 0 EFAARN OC[C@H]1COCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072433268 216227878 /nfs/dbraw/zinc/22/78/78/216227878.db2.gz AVLJWIPLJJABQI-FQEVSTJZSA-N 0 0 349.434 2.937 50 0 EFAARN OC[C@@H]1COCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072433269 216228275 /nfs/dbraw/zinc/22/82/75/216228275.db2.gz AVLJWIPLJJABQI-HXUWFJFHSA-N 0 0 349.434 2.937 50 0 EFAARN Cc1nn2c(nc(C)cc2N[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C ZINC000072433800 216228462 /nfs/dbraw/zinc/22/84/62/216228462.db2.gz DSFYBQSGMXXKDH-KRWDZBQOSA-N 0 0 349.438 2.868 50 0 EFAARN OC[C@@]12CCC[C@@H]1CN(c1cc(-c3ccccc3)nc3ccnn31)C2 ZINC000072435309 216229913 /nfs/dbraw/zinc/22/99/13/216229913.db2.gz OIHFVBRTKYGKQI-UZLBHIALSA-N 0 0 334.423 2.995 50 0 EFAARN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC2CCCCCC2)C1 ZINC000072441927 216235508 /nfs/dbraw/zinc/23/55/08/216235508.db2.gz YLITYNLZSIHXHD-INIZCTEOSA-N 0 0 344.521 2.525 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1nn(C)c2c1CCCC2 ZINC000072447261 216237795 /nfs/dbraw/zinc/23/77/95/216237795.db2.gz XVTSAVBZXNNUNM-UHFFFAOYSA-N 0 0 349.438 2.757 50 0 EFAARN CCc1cc(NCc2nc(CSC)no2)n2nc(C)c(C)c2n1 ZINC000072447743 216238181 /nfs/dbraw/zinc/23/81/81/216238181.db2.gz RSKPYKMPANZPDI-UHFFFAOYSA-N 0 0 332.433 2.767 50 0 EFAARN CNc1nc(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)cs1 ZINC000072453881 216240676 /nfs/dbraw/zinc/24/06/76/216240676.db2.gz FVVGXRXWACBMBZ-GFCCVEGCSA-N 0 0 346.456 2.544 50 0 EFAARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCc4n[nH]cc4C3)cc2)n1 ZINC000072453895 216241375 /nfs/dbraw/zinc/24/13/75/216241375.db2.gz BCYPJSQBCHRYQY-SFHVURJKSA-N 0 0 349.438 2.559 50 0 EFAARN CN(Cc1csc(-c2ccccc2)n1)C(=O)COC[C@H]1CCCO1 ZINC000072454660 216241868 /nfs/dbraw/zinc/24/18/68/216241868.db2.gz IMZHJHOOZCYWNR-MRXNPFEDSA-N 0 0 346.452 2.964 50 0 EFAARN c1cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2[nH]1 ZINC000072473407 216250301 /nfs/dbraw/zinc/25/03/01/216250301.db2.gz CPJHGCDIJWNYLY-UHFFFAOYSA-N 0 0 336.395 2.614 50 0 EFAARN Cc1c(C(=O)N2CCC[C@H]2c2ccccn2)sc2[nH]cnc(=O)c12 ZINC000072463436 216245047 /nfs/dbraw/zinc/24/50/47/216245047.db2.gz XNDFXFYIFHPDGI-LBPRGKRZSA-N 0 0 340.408 2.665 50 0 EFAARN Cc1nn2c(nc(C)cc2N(C)Cc2noc(C3CCC3)n2)c1C ZINC000072463802 216246797 /nfs/dbraw/zinc/24/67/97/216246797.db2.gz OFJPHGWPLHRGCP-UHFFFAOYSA-N 0 0 326.404 2.941 50 0 EFAARN CCNc1ncc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cn1 ZINC000072468753 216247519 /nfs/dbraw/zinc/24/75/19/216247519.db2.gz WPRGVKXJTUOMQP-UHFFFAOYSA-N 0 0 337.383 2.836 50 0 EFAARN O=C([C@@H]1CCOC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072476012 216253799 /nfs/dbraw/zinc/25/37/99/216253799.db2.gz GROBRLRYFMHQDH-GFCCVEGCSA-N 0 0 343.345 2.552 50 0 EFAARN Cc1cc2nc(C)cc(NCCc3nc(C)c4c(n3)CCCC4)n2n1 ZINC000072476299 216254779 /nfs/dbraw/zinc/25/47/79/216254779.db2.gz FONBYZKMUZTUDX-UHFFFAOYSA-N 0 0 336.443 2.978 50 0 EFAARN CN(Cc1csc(-c2ccccc2)n1)C(=O)CCc1nncn1C 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Nc1cc(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)ccn1 ZINC000072475221 216253412 /nfs/dbraw/zinc/25/34/12/216253412.db2.gz GUZCQFQDSSIASK-AWEZNQCLSA-N 0 0 325.347 2.657 50 0 EFAARN CSc1ccc(CN(C(=O)[C@@H]2NCCc3nc[nH]c32)C2CC2)cc1 ZINC000072479697 216258498 /nfs/dbraw/zinc/25/84/98/216258498.db2.gz SVTWRRYMETVJQQ-QGZVFWFLSA-N 0 0 342.468 2.510 50 0 EFAARN Cc1nc(CC(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cs1 ZINC000072479728 216259225 /nfs/dbraw/zinc/25/92/25/216259225.db2.gz IWSCFKHCNNFLMG-SFHVURJKSA-N 0 0 342.420 2.631 50 0 EFAARN COc1ccc(/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000026964498 212542597 /nfs/dbraw/zinc/54/25/97/212542597.db2.gz KZXXLCYHMXQMCP-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(F)c(Cl)c1 ZINC000072807696 216309643 /nfs/dbraw/zinc/30/96/43/216309643.db2.gz PFBDXOCHOLRCNL-UHFFFAOYSA-N 0 0 335.766 2.553 50 0 EFAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nnc(C4CC4)s3)c12 ZINC000024357814 212419561 /nfs/dbraw/zinc/41/95/61/212419561.db2.gz 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C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCOc1ccc(F)cc1 ZINC000023142350 212354431 /nfs/dbraw/zinc/35/44/31/212354431.db2.gz ZSBGZRINSWAKPQ-LBPRGKRZSA-N 0 0 347.342 2.517 50 0 EFAARN Cc1nc(NC(=O)N2CCC[C@H]2Cc2cccnc2)nn1C(C)C ZINC000023128516 212351815 /nfs/dbraw/zinc/35/18/15/212351815.db2.gz RSEJORZNVWTQJS-HNNXBMFYSA-N 0 0 328.420 2.801 50 0 EFAARN Cc1ccccc1OCCOC(=O)Cn1c2ccccc2sc1=O ZINC000023115206 212349827 /nfs/dbraw/zinc/34/98/27/212349827.db2.gz PWYLKLFMNFUDED-UHFFFAOYSA-N 0 0 343.404 2.994 50 0 EFAARN COc1cccc(C(=O)NCCc2ccc(N(C)C)cc2)c1OC ZINC000023001433 212342164 /nfs/dbraw/zinc/34/21/64/212342164.db2.gz NSDCYZBRVQZBHI-UHFFFAOYSA-N 0 0 328.412 2.742 50 0 EFAARN CN1CCN(C(=O)c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1 ZINC000022996465 212340382 /nfs/dbraw/zinc/34/03/82/212340382.db2.gz RBCVVYQWZNQVAJ-UHFFFAOYSA-N 0 0 341.255 2.507 50 0 EFAARN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)no1 ZINC000023058207 212345179 /nfs/dbraw/zinc/34/51/79/212345179.db2.gz BXULJYIMAVCWDM-CYBMUJFWSA-N 0 0 328.340 2.787 50 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243059837 /nfs/dbraw/zinc/05/98/37/243059837.db2.gz JJENKXTWQHCJPP-HBUWYVDXSA-N 0 0 348.406 2.714 50 0 EFAARN CCCc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cs1 ZINC000244701244 243060888 /nfs/dbraw/zinc/06/08/88/243060888.db2.gz KCTWMXKDWKKTJA-PEYYIBSZSA-N 0 0 333.457 2.676 50 0 EFAARN Cc1cc(C)n(CC(=O)NCc2cccc(OC(F)(F)F)c2)n1 ZINC000020865964 212179145 /nfs/dbraw/zinc/17/91/45/212179145.db2.gz NJYBQPBOIZYAGO-UHFFFAOYSA-N 0 0 327.306 2.715 50 0 EFAARN O=C(CN(Cc1nccs1)C1CC1)NCCc1ccc(F)cc1 ZINC000244691711 243061543 /nfs/dbraw/zinc/06/15/43/243061543.db2.gz JHVMQMCRZFTSKL-UHFFFAOYSA-N 0 0 333.432 2.606 50 0 EFAARN CCc1ccccc1N1CCN(Cc2nc(CSC)no2)CC1 ZINC000244708319 243062265 /nfs/dbraw/zinc/06/22/65/243062265.db2.gz KROVCRVTLBUOFJ-UHFFFAOYSA-N 0 0 332.473 2.817 50 0 EFAARN CCc1cccc(C)c1N1C[C@H](C(=O)NCc2cccnc2)CC1=O ZINC000020865347 212178724 /nfs/dbraw/zinc/17/87/24/212178724.db2.gz UKFUITLPLNXJQO-QGZVFWFLSA-N 0 0 337.423 2.622 50 0 EFAARN O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cccc(Cl)c1 ZINC000020855949 212177144 /nfs/dbraw/zinc/17/71/44/212177144.db2.gz VRTJOQXGIRJHGV-QGZVFWFLSA-N 0 0 345.830 2.538 50 0 EFAARN CCN(CCc1nc2cc(OC)ccc2[nH]1)Cc1nnc(C2CC2)o1 ZINC000244574875 243040321 /nfs/dbraw/zinc/04/03/21/243040321.db2.gz CSTUMSVXGRJQDR-UHFFFAOYSA-N 0 0 341.415 2.897 50 0 EFAARN CC(C)n1cccc1C(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000244601792 243041856 /nfs/dbraw/zinc/04/18/56/243041856.db2.gz DRVPFAVQNIUGAS-QGZVFWFLSA-N 0 0 326.444 2.858 50 0 EFAARN CCN(Cc1nnc(-c2ccco2)o1)C[C@@H](O)c1cccc(O)c1 ZINC000244595021 243042486 /nfs/dbraw/zinc/04/24/86/243042486.db2.gz DNBAQAXKCMHFIW-CQSZACIVSA-N 0 0 329.356 2.591 50 0 EFAARN O=C(CCN1CCO[C@@H](c2ccc(F)cc2)C1)NCc1cccs1 ZINC000244564060 243042529 /nfs/dbraw/zinc/04/25/29/243042529.db2.gz CLVHBAPVIOBJDD-QGZVFWFLSA-N 0 0 348.443 2.967 50 0 EFAARN CC(=O)c1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)s1 ZINC000244601953 243043593 /nfs/dbraw/zinc/04/35/93/243043593.db2.gz DUZGIUKJHOIQBT-OZVIIMIRSA-N 0 0 330.409 2.588 50 0 EFAARN Cc1ncsc1CCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244608565 243045413 /nfs/dbraw/zinc/04/54/13/243045413.db2.gz FETWRTXPZXLIRT-BRWVUGGUSA-N 0 0 344.480 2.883 50 0 EFAARN CSCc1noc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)n1 ZINC000244647085 243050714 /nfs/dbraw/zinc/05/07/14/243050714.db2.gz GUVQHRGNTHRDHQ-INIZCTEOSA-N 0 0 347.484 2.748 50 0 EFAARN COCCN1C[C@H](Cc2cc(C)c3nc(N)sc3c2C)CC1=O ZINC000244652052 243051283 /nfs/dbraw/zinc/05/12/83/243051283.db2.gz GYXIRVAMCZIXNF-GFCCVEGCSA-N 0 0 333.457 2.533 50 0 EFAARN CCc1nccn1CC(=O)N1CCC[C@@H]1c1nc2c(cccc2C)[nH]1 ZINC000244659623 243051753 /nfs/dbraw/zinc/05/17/53/243051753.db2.gz HGANFSGFCPUJHB-OAHLLOKOSA-N 0 0 337.427 2.994 50 0 EFAARN CCc1c(C)sc2ncnc(C[C@H]3CC(=O)N(CCOC)C3)c12 ZINC000244678404 243054128 /nfs/dbraw/zinc/05/41/28/243054128.db2.gz ICBZPRSCGYSBCF-LBPRGKRZSA-N 0 0 333.457 2.600 50 0 EFAARN O[C@H]1C[C@@H]([C@@H](Cc2ccncc2)Nc2ncnc3ccsc32)C1 ZINC000244673851 243055354 /nfs/dbraw/zinc/05/53/54/243055354.db2.gz 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ZINC000244817195 243089130 /nfs/dbraw/zinc/08/91/30/243089130.db2.gz SVWNXCQHEVUVIG-IUUKEHGRSA-N 0 0 341.436 2.795 50 0 EFAARN CC(C)n1ccnc1C1CCN([C@H](C)C(=O)Nc2nncs2)CC1 ZINC000244828615 243089615 /nfs/dbraw/zinc/08/96/15/243089615.db2.gz TZJQLXUQUFFWSK-GFCCVEGCSA-N 0 0 348.476 2.522 50 0 EFAARN Cn1cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000244874296 243090662 /nfs/dbraw/zinc/09/06/62/243090662.db2.gz WYMXSRJWLNXOKF-KSMMKXTCSA-N 0 0 335.407 2.815 50 0 EFAARN Cn1cc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000244874295 243091182 /nfs/dbraw/zinc/09/11/82/243091182.db2.gz WYMXSRJWLNXOKF-BIENJYKASA-N 0 0 335.407 2.815 50 0 EFAARN O=C(NCc1ccco1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244873390 243091933 /nfs/dbraw/zinc/09/19/33/243091933.db2.gz WPPBTNWXHFGNDL-RVKKMQEKSA-N 0 0 342.395 2.526 50 0 EFAARN CCCn1ncc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c1C ZINC000244748511 243072665 /nfs/dbraw/zinc/07/26/65/243072665.db2.gz OIZSBPXJYOQNJV-LNLFQRSKSA-N 0 0 341.455 2.714 50 0 EFAARN O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccncc1 ZINC000244735055 243073374 /nfs/dbraw/zinc/07/33/74/243073374.db2.gz NSIFPUZNRDDEDS-WDYCEAGBSA-N 0 0 333.391 2.872 50 0 EFAARN COc1ccccc1Cc1noc2cc(OS(C)(=O)=O)ccc12 ZINC000020736408 212166561 /nfs/dbraw/zinc/16/65/61/212166561.db2.gz VENLIJJLXWLXQY-UHFFFAOYSA-N 0 0 333.365 2.766 50 0 EFAARN O=C(Nc1nccs1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000020724392 212166052 /nfs/dbraw/zinc/16/60/52/212166052.db2.gz JHMQWLFJQBLYRW-LLVKDONJSA-N 0 0 335.816 2.784 50 0 EFAARN O=C(CCN1Cc2ccccc2C1=O)NCCc1c[nH]c2ccccc12 ZINC000020761823 212170009 /nfs/dbraw/zinc/17/00/09/212170009.db2.gz KWSULNSAVZPVAH-UHFFFAOYSA-N 0 0 347.418 2.873 50 0 biogenic EFAARN COCCCNC(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000020775795 212170048 /nfs/dbraw/zinc/17/00/48/212170048.db2.gz NAFOLGDYNWGXMY-UHFFFAOYSA-N 0 0 341.367 2.568 50 0 EFAARN CC(C)(C)NC(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000020762234 212169211 /nfs/dbraw/zinc/16/92/11/212169211.db2.gz BOBQZSQPEDYGKJ-UHFFFAOYSA-N 0 0 327.428 2.748 50 0 biogenic EFAARN Cn1c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc2ccccc21 ZINC000020715328 212163386 /nfs/dbraw/zinc/16/33/86/212163386.db2.gz ITBYIHRCQHTOPA-UHFFFAOYSA-N 0 0 347.418 2.777 50 0 EFAARN Cc1ccn2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nc2c1 ZINC000020727997 212164698 /nfs/dbraw/zinc/16/46/98/212164698.db2.gz BNKSRBWSJZBLDN-UHFFFAOYSA-N 0 0 334.423 2.601 50 0 EFAARN CCC(=O)c1ccccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020653332 212160577 /nfs/dbraw/zinc/16/05/77/212160577.db2.gz FEWGUZMNCJGGLQ-HZPDHXFCSA-N 0 0 335.444 2.784 50 0 EFAARN CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc(C)cc1C ZINC000020614294 212154740 /nfs/dbraw/zinc/15/47/40/212154740.db2.gz WBMMSIOZUXBNPY-UHFFFAOYSA-N 0 0 341.864 2.994 50 0 EFAARN COc1ccccc1C1=NO[C@@H](C(=O)N[C@@H](C)CCc2ccco2)C1 ZINC000020602625 212152986 /nfs/dbraw/zinc/15/29/86/212152986.db2.gz HREORBDICZKCPF-SCLBCKFNSA-N 0 0 342.395 2.919 50 0 EFAARN CCn1nc(C)c(-c2cc(C(=O)OC)n3ncc(Cl)c3n2)c1C ZINC000020604921 212152733 /nfs/dbraw/zinc/15/27/33/212152733.db2.gz AUYZJOGYYXWSAA-UHFFFAOYSA-N 0 0 333.779 2.670 50 0 EFAARN CCCC(CCC)c1n[nH]c2c1CN(C(=O)c1nonc1C)CC2 ZINC000020600336 212151493 /nfs/dbraw/zinc/15/14/93/212151493.db2.gz YJGUHFPYTLOFCM-UHFFFAOYSA-N 0 0 331.420 2.983 50 0 EFAARN Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n(C2CCCCC2)n1 ZINC000020600056 212151532 /nfs/dbraw/zinc/15/15/32/212151532.db2.gz DNNAZIJBKQYCAC-AWEZNQCLSA-N 0 0 332.448 2.892 50 0 EFAARN COc1ccc(CN(C)Cc2c(C)nn(C)c2C)c(OC)c1OC ZINC000020599116 212150793 /nfs/dbraw/zinc/15/07/93/212150793.db2.gz REVYNCSQJARQIF-UHFFFAOYSA-N 0 0 333.432 2.695 50 0 EFAARN CN(Cc1cnc2ccccc2c1)C(=O)CCc1csc(N)n1 ZINC000020539115 212145223 /nfs/dbraw/zinc/14/52/23/212145223.db2.gz PWYZXFYNIWWYRS-UHFFFAOYSA-N 0 0 326.425 2.865 50 0 EFAARN CCc1nnc(SCC(=O)N2CCCC[C@H]2c2nccs2)[nH]1 ZINC000020535131 212144844 /nfs/dbraw/zinc/14/48/44/212144844.db2.gz DIPGIZXAGSHLDY-JTQLQIEISA-N 0 0 337.474 2.670 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)cc1 ZINC000020531611 212143700 /nfs/dbraw/zinc/14/37/00/212143700.db2.gz TXDUBNNHXHWDFX-GFCCVEGCSA-N 0 0 337.379 2.628 50 0 EFAARN COCCN1C[C@H](c2nc(-c3cccc(OC(C)C)c3)c[nH]2)CC1=O ZINC000020513588 212142745 /nfs/dbraw/zinc/14/27/45/212142745.db2.gz YJWPQOHDYXBFHG-OAHLLOKOSA-N 0 0 343.427 2.826 50 0 EFAARN O=C(CCSc1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000020513254 212142417 /nfs/dbraw/zinc/14/24/17/212142417.db2.gz ZTDCEBCFMJCPOE-UHFFFAOYSA-N 0 0 342.892 2.661 50 0 EFAARN O=C(c1cccs1)N1CCC(n2cc(-c3ccncc3)nn2)CC1 ZINC000020513607 212142506 /nfs/dbraw/zinc/14/25/06/212142506.db2.gz PXLRIZFLZYARES-UHFFFAOYSA-N 0 0 339.424 2.879 50 0 EFAARN CSCC[C@@H](CO)NC(=O)CCn1ccc2ccc(Cl)cc21 ZINC000252479530 243764125 /nfs/dbraw/zinc/76/41/25/243764125.db2.gz BHDZKFQDVSYWHS-AWEZNQCLSA-N 0 0 340.876 2.915 50 0 EFAARN O=C(Nc1cccc2nsnc21)c1ccnc(O[C@H]2CCOC2)c1 ZINC000252484896 243779054 /nfs/dbraw/zinc/77/90/54/243779054.db2.gz GKBFOIQUBSLTID-NSHDSACASA-N 0 0 342.380 2.506 50 0 EFAARN Cc1nnnn1-c1cccc(NC(=O)[C@@H](CC(C)C)n2cccc2)c1 ZINC000253414820 243931277 /nfs/dbraw/zinc/93/12/77/243931277.db2.gz YSFJLOYCFKPXOP-QGZVFWFLSA-N 0 0 338.415 2.998 50 0 EFAARN O=C(CCc1ccccc1F)N[C@@H](Cn1nccn1)c1ccccc1 ZINC000253397204 243899430 /nfs/dbraw/zinc/89/94/30/243899430.db2.gz FKBCYBAZGOEJEO-SFHVURJKSA-N 0 0 338.386 2.908 50 0 EFAARN O=C(CCc1ccccc1F)N[C@H](Cn1nccn1)c1ccccc1 ZINC000253397197 243900454 /nfs/dbraw/zinc/90/04/54/243900454.db2.gz FKBCYBAZGOEJEO-GOSISDBHSA-N 0 0 338.386 2.908 50 0 EFAARN CC(C)CNC(=S)N1CCN(Cc2ccccc2Cl)CC1 ZINC000020468659 212134386 /nfs/dbraw/zinc/13/43/86/212134386.db2.gz AAYDRTVRRBTAMY-UHFFFAOYSA-N 0 0 325.909 2.988 50 0 EFAARN OCC[C@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccccc1F ZINC000020452123 212130728 /nfs/dbraw/zinc/13/07/28/212130728.db2.gz JPHGAGROYYVGLI-SFHVURJKSA-N 0 0 344.430 2.600 50 0 EFAARN OCC[C@H]1CN(Cc2ccco2)CCN1Cc1ccc(F)c(F)c1 ZINC000020450453 212129933 /nfs/dbraw/zinc/12/99/33/212129933.db2.gz VKGVOWXKNZHEFV-HNNXBMFYSA-N 0 0 336.382 2.627 50 0 EFAARN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CCCCCC2)c1 ZINC000020458047 212132805 /nfs/dbraw/zinc/13/28/05/212132805.db2.gz VQYWRZYEDUWSBK-UHFFFAOYSA-N 0 0 330.837 2.728 50 0 EFAARN CCc1nc2c3ccccc3oc2c(NCCN2CCOCC2)n1 ZINC000020440107 212128795 /nfs/dbraw/zinc/12/87/95/212128795.db2.gz SWSPXXAOOAGWMC-UHFFFAOYSA-N 0 0 326.400 2.683 50 0 EFAARN O=C([C@H]1CCCO1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020435762 212128521 /nfs/dbraw/zinc/12/85/21/212128521.db2.gz ZRMHZKLENIKPLG-OAHLLOKOSA-N 0 0 343.254 2.817 50 0 EFAARN CC[C@@H](C)[C@H](CO)NC(=O)Cc1csc(-c2cccc(OC)c2)n1 ZINC000020426235 212127801 /nfs/dbraw/zinc/12/78/01/212127801.db2.gz JGKQDXYPNLQFRP-WBMJQRKESA-N 0 0 348.468 2.884 50 0 EFAARN Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)no1 ZINC000020353754 212121509 /nfs/dbraw/zinc/12/15/09/212121509.db2.gz NXCNJKZWEWRRJG-UHFFFAOYSA-N 0 0 337.782 2.734 50 0 EFAARN CC[C@H](O)CNc1nc(SC)nc2sc3c(c21)CCN(C)C3 ZINC000020358670 212122181 /nfs/dbraw/zinc/12/21/81/212122181.db2.gz PKSJCVCCSZSDHK-VIFPVBQESA-N 0 0 338.502 2.584 50 0 EFAARN CCn1c2ccccc2n(C[C@H](O)COc2cccc(C)c2)c1=N ZINC000020292560 212116315 /nfs/dbraw/zinc/11/63/15/212116315.db2.gz RNYVUHSERNFCAA-HNNXBMFYSA-N 0 0 325.412 2.690 50 0 EFAARN O=S1(=O)CC[C@H](N[C@@H](c2ccccc2)C(Cl)(Cl)Cl)C1 ZINC000020280599 212115880 /nfs/dbraw/zinc/11/58/80/212115880.db2.gz YEDTURFODVNLJO-QWRGUYRKSA-N 0 0 342.675 2.875 50 0 EFAARN Cn1ccnc1C(=O)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000020204203 212111177 /nfs/dbraw/zinc/11/11/77/212111177.db2.gz ZCSIUIBNMPOBPS-AWEZNQCLSA-N 0 0 327.363 2.803 50 0 EFAARN O=S(=O)(NCC[C@H](O)c1cccs1)c1ccccc1Cl ZINC000077114710 216840791 /nfs/dbraw/zinc/84/07/91/216840791.db2.gz YERLJUCDNFKHPN-NSHDSACASA-N 0 0 331.846 2.804 50 0 EFAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O ZINC000020233769 212113398 /nfs/dbraw/zinc/11/33/98/212113398.db2.gz RJKKDQMUKAJIDH-PBJWJZLWSA-N 0 0 330.365 2.766 50 0 EFAARN OCC[C@@H]1CN(C/C=C/c2ccco2)CCN1Cc1ccsc1 ZINC000020206575 212112249 /nfs/dbraw/zinc/11/22/49/212112249.db2.gz MQMBOGPTZLZNCY-XKKXFUJGSA-N 0 0 332.469 2.923 50 0 EFAARN CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cccnc1 ZINC000020171359 212110112 /nfs/dbraw/zinc/11/01/12/212110112.db2.gz DWIUIGJLZCPGEB-GFCCVEGCSA-N 0 0 345.472 2.899 50 0 EFAARN C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC1CCCC1 ZINC000020166800 212108726 /nfs/dbraw/zinc/10/87/26/212108726.db2.gz MDZXGSCSNJPQLQ-ZDUSSCGKSA-N 0 0 344.484 2.945 50 0 EFAARN COc1cccc([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)c1OC ZINC000020119012 212102740 /nfs/dbraw/zinc/10/27/40/212102740.db2.gz WYYISXHOPXLNJK-CQSZACIVSA-N 0 0 341.411 2.740 50 0 EFAARN CC(C)(C)c1cc(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc32)[nH]n1 ZINC000020109540 212101918 /nfs/dbraw/zinc/10/19/18/212101918.db2.gz PBRJCRNDZUJWHK-UHFFFAOYSA-N 0 0 342.374 2.618 50 0 EFAARN CC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020123705 212103854 /nfs/dbraw/zinc/10/38/54/212103854.db2.gz PNLFAEMPMZXHHR-UHFFFAOYSA-N 0 0 337.423 2.603 50 0 EFAARN Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c1 ZINC000020103352 212101252 /nfs/dbraw/zinc/10/12/52/212101252.db2.gz XAIVFRXAWIXETM-INIZCTEOSA-N 0 0 334.379 2.829 50 0 EFAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)cc1C ZINC000020103332 212100803 /nfs/dbraw/zinc/10/08/03/212100803.db2.gz LYXAJMSYCJWQEL-INIZCTEOSA-N 0 0 334.379 2.829 50 0 EFAARN O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1Cl ZINC000020103319 212100343 /nfs/dbraw/zinc/10/03/43/212100343.db2.gz ZRCRCQHRLYOMEM-AWEZNQCLSA-N 0 0 340.770 2.866 50 0 EFAARN CCCN1C[C@@H](NC(=O)c2cc(C)nc3c(C)cc(C)cc23)CC1=O ZINC000077343561 216878139 /nfs/dbraw/zinc/87/81/39/216878139.db2.gz GBCQXAUSNYCVSJ-HNNXBMFYSA-N 0 0 339.439 2.901 50 0 EFAARN Cc1ncc(C(=O)N2CCN(Cc3ccc(C)c(C)c3)C(=O)C2)s1 ZINC000077354690 216879693 /nfs/dbraw/zinc/87/96/93/216879693.db2.gz GBTKORREJWFEKC-UHFFFAOYSA-N 0 0 343.452 2.553 50 0 EFAARN CCC[C@H](C)N1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)OC1=O ZINC000077337643 216874644 /nfs/dbraw/zinc/87/46/44/216874644.db2.gz IJGPQHXNUAVCNG-LBPRGKRZSA-N 0 0 349.431 2.907 50 0 EFAARN O=C(CCc1nc(Cl)n[nH]1)N1CCC(OCc2ccccc2)CC1 ZINC000077342760 216876015 /nfs/dbraw/zinc/87/60/15/216876015.db2.gz CBXXWJXDGAKFGI-UHFFFAOYSA-N 0 0 348.834 2.599 50 0 EFAARN N=c1c2c(ncn1CCCN1CCOCC1)sc1c2CCCCC1 ZINC000020029268 212094907 /nfs/dbraw/zinc/09/49/07/212094907.db2.gz VJRJXXGWUBQDRN-UHFFFAOYSA-N 0 0 346.500 2.568 50 0 EFAARN O=C(COc1ccccc1)NCCc1csc(-c2ccncc2)n1 ZINC000019942517 212088513 /nfs/dbraw/zinc/08/85/13/212088513.db2.gz UZEJMZFPSKZOLS-UHFFFAOYSA-N 0 0 339.420 2.943 50 0 EFAARN COc1ccc(NC(=O)OCC23CO[C@@]4(C)CC[C@](C)(OC2)N34)cc1 ZINC000019933586 212086785 /nfs/dbraw/zinc/08/67/85/212086785.db2.gz KTBKHIRMWPCNOP-IRXDYDNUSA-N 0 0 348.399 2.571 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1 ZINC000019910746 212082792 /nfs/dbraw/zinc/08/27/92/212082792.db2.gz UQPHBMMHWXDAKY-UHFFFAOYSA-N 0 0 336.351 2.615 50 0 EFAARN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000019932311 212086566 /nfs/dbraw/zinc/08/65/66/212086566.db2.gz HWSBKIGQQWUKSZ-UHFFFAOYSA-N 0 0 330.837 2.774 50 0 EFAARN O=C(c1ccc[nH]c1=O)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000077388407 216890825 /nfs/dbraw/zinc/89/08/25/216890825.db2.gz QPLZSCRLXBYQNV-HNNXBMFYSA-N 0 0 326.396 2.708 50 0 EFAARN COc1ccccc1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000019922539 212084990 /nfs/dbraw/zinc/08/49/90/212084990.db2.gz LOVIZSHSRHWRKN-UHFFFAOYSA-N 0 0 326.396 2.780 50 0 EFAARN Cc1nc([C@H](C)N(C)C(=O)c2c[nH]c(=O)c(Cl)c2)c(C)s1 ZINC000077423678 216900661 /nfs/dbraw/zinc/90/06/61/216900661.db2.gz XAPCBNZGPIWCPI-ZETCQYMHSA-N 0 0 325.821 2.935 50 0 EFAARN Cc1nc[nH]c1C(=O)N1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077423415 216901177 /nfs/dbraw/zinc/90/11/77/216901177.db2.gz NHCXQROLLFEINQ-LJQANCHMSA-N 0 0 344.459 2.506 50 0 EFAARN CN(Cc1nc(-c2ccncc2)no1)Cc1cnc(-c2ccco2)nc1 ZINC000077425419 216902198 /nfs/dbraw/zinc/90/21/98/216902198.db2.gz OGOBEOJBZKGFOH-UHFFFAOYSA-N 0 0 348.366 2.814 50 0 EFAARN Cc1ccccc1OC1CCN(C(=O)CCCN2CCCC2=O)CC1 ZINC000077424831 216902283 /nfs/dbraw/zinc/90/22/83/216902283.db2.gz BPXGFYGTJOAICG-UHFFFAOYSA-N 0 0 344.455 2.767 50 0 EFAARN Cc1cccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000019902174 212081164 /nfs/dbraw/zinc/08/11/64/212081164.db2.gz ZXKFMHGMBPCGIZ-UHFFFAOYSA-N 0 0 346.471 2.525 50 0 EFAARN Cc1ccc2nc(C)cc(C(=O)NCc3cnn4cccnc34)c2c1 ZINC000077453642 216907963 /nfs/dbraw/zinc/90/79/63/216907963.db2.gz QDQORYMFTOTZLN-UHFFFAOYSA-N 0 0 331.379 2.824 50 0 EFAARN O=C(NCCN1CCOCC1)c1ccccc1Oc1ccccc1 ZINC000019863491 212077013 /nfs/dbraw/zinc/07/70/13/212077013.db2.gz AINVUHXHKFLIQM-UHFFFAOYSA-N 0 0 326.396 2.541 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)CCCc2cn[nH]c2)[C@@H](C)C1 ZINC000077453446 216908262 /nfs/dbraw/zinc/90/82/62/216908262.db2.gz ZWCGADGSZGSXEY-INIZCTEOSA-N 0 0 326.444 2.778 50 0 EFAARN O=C([O-])c1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019850530 212076785 /nfs/dbraw/zinc/07/67/85/212076785.db2.gz FHKCDFWFVFSPQP-UHFFFAOYSA-N 0 0 340.423 2.581 50 0 EFAARN Cc1[nH]ccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077457256 216909280 /nfs/dbraw/zinc/90/92/80/216909280.db2.gz PUKSWMHVMYJHNL-LJQANCHMSA-N 0 0 329.444 2.578 50 0 EFAARN Cn1cnnc1SCC(=O)Nc1nc(-c2cccs2)cs1 ZINC000019849861 212076589 /nfs/dbraw/zinc/07/65/89/212076589.db2.gz HWKKXQCXSVKLBX-UHFFFAOYSA-N 0 0 337.455 2.731 50 0 EFAARN CCOc1cc(CN2CCN(Cc3cccnc3)CC2)ccc1OC ZINC000019853043 212076022 /nfs/dbraw/zinc/07/60/22/212076022.db2.gz PICCHFXKZDCGGH-UHFFFAOYSA-N 0 0 341.455 2.807 50 0 EFAARN CCCn1ncc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1C ZINC000077438485 216905221 /nfs/dbraw/zinc/90/52/21/216905221.db2.gz NWTQESDMPJGOJJ-UHFFFAOYSA-N 0 0 347.850 2.612 50 0 EFAARN CN(CCc1ccccc1)c1cnn(CCCc2cccnc2)c(=O)c1 ZINC000019837377 212074339 /nfs/dbraw/zinc/07/43/39/212074339.db2.gz GLNQRJLMKFQORW-UHFFFAOYSA-N 0 0 348.450 2.950 50 0 EFAARN CCN1C[C@H](CNc2ccc(-c3nc(CC(C)C)no3)cn2)CC1=O ZINC000019812166 212070828 /nfs/dbraw/zinc/07/08/28/212070828.db2.gz RZPHIOFCCXXYHC-ZDUSSCGKSA-N 0 0 343.431 2.610 50 0 EFAARN CC(=O)c1ccc(N2C(=O)C[C@H](N(C)Cc3ccccc3)C2=O)cc1 ZINC000019809238 212070847 /nfs/dbraw/zinc/07/08/47/212070847.db2.gz HPRGQJCWCGCTIM-SFHVURJKSA-N 0 0 336.391 2.653 50 0 EFAARN Cc1noc(C)c1S(=O)(=O)N1CCc2cc3cccc(C)c3nc21 ZINC000019796838 212068954 /nfs/dbraw/zinc/06/89/54/212068954.db2.gz QZRKISZBFVOAGI-UHFFFAOYSA-N 0 0 343.408 2.899 50 0 EFAARN COc1cc(OC)c2nc(C)c3c(c2c1)CN(C(=O)NC(C)C)C3 ZINC000019797080 212068483 /nfs/dbraw/zinc/06/84/83/212068483.db2.gz QZSCYTIQPXLENL-UHFFFAOYSA-N 0 0 329.400 2.994 50 0 EFAARN O=C(Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)c1ccco1 ZINC000019796415 212068496 /nfs/dbraw/zinc/06/84/96/212068496.db2.gz NBCCXZHZESZZMI-UHFFFAOYSA-N 0 0 341.348 2.986 50 0 EFAARN CCOc1ccc2[nH]c(C)c(CN3CCN(CC)CC3)c(=O)c2c1 ZINC000019791990 212067908 /nfs/dbraw/zinc/06/79/08/212067908.db2.gz HJHREIVXNSLCQG-UHFFFAOYSA-N 0 0 329.444 2.785 50 0 EFAARN CC(=O)N[C@@H](Cc1c[nH]cn1)c1nc(-c2cc(Cl)ccc2C)no1 ZINC000019792884 212067565 /nfs/dbraw/zinc/06/75/65/212067565.db2.gz FMBKZRJFPCTVKP-AWEZNQCLSA-N 0 0 345.790 2.841 50 0 EFAARN CCCc1cc(C(=O)N2CCN(c3ccccc3CC)CC2)n(C)n1 ZINC000077539519 216933185 /nfs/dbraw/zinc/93/31/85/216933185.db2.gz DSPPOLIFULVOND-UHFFFAOYSA-N 0 0 340.471 2.897 50 0 EFAARN O=C(c1ccccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019774010 212064426 /nfs/dbraw/zinc/06/44/26/212064426.db2.gz QWEXXKPRSUDXFP-UHFFFAOYSA-N 0 0 342.370 2.512 50 0 EFAARN COc1cccc(NC(=O)Cc2cc3ccc(OC)cc3[nH]c2=O)c1 ZINC000019769976 212063760 /nfs/dbraw/zinc/06/37/60/212063760.db2.gz ZFNLDMYCCYDFGN-UHFFFAOYSA-N 0 0 338.363 2.727 50 0 EFAARN COc1cc(F)c(CN2CCN(CC(C)C)C(=O)[C@H]2C)cc1OC ZINC000077538590 216931575 /nfs/dbraw/zinc/93/15/75/216931575.db2.gz YTDNNMCVRMOSDE-CYBMUJFWSA-N 0 0 338.423 2.532 50 0 EFAARN CCCn1c2ccccc2n(C[C@@H](O)COc2ccccc2)c1=N ZINC000019757591 212062395 /nfs/dbraw/zinc/06/23/95/212062395.db2.gz QTDOBONYIRTGJX-OAHLLOKOSA-N 0 0 325.412 2.772 50 0 EFAARN CCOCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 ZINC000019736730 212059371 /nfs/dbraw/zinc/05/93/71/212059371.db2.gz ZSSJNRFFMPEYOJ-UHFFFAOYSA-N 0 0 330.384 2.945 50 0 EFAARN C[C@H](O)c1cn(C2CCN(c3nc4ccccc4s3)CC2)nn1 ZINC000019731993 212058325 /nfs/dbraw/zinc/05/83/25/212058325.db2.gz BGQGKLIBMGVMDO-NSHDSACASA-N 0 0 329.429 2.783 50 0 EFAARN COc1cc(CN2CCN(C=O)CC2)ccc1OCc1ccccc1 ZINC000019633124 212053459 /nfs/dbraw/zinc/05/34/59/212053459.db2.gz ZHUYOAGSGMMEGP-UHFFFAOYSA-N 0 0 340.423 2.548 50 0 EFAARN Cc1c(C(N)=O)sc2ncn(Cc3cccc(Cl)c3)c(=O)c12 ZINC000019645010 212052610 /nfs/dbraw/zinc/05/26/10/212052610.db2.gz HPFMLOWVZJHTDH-UHFFFAOYSA-N 0 0 333.800 2.567 50 0 EFAARN O=C(c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019620084 212051898 /nfs/dbraw/zinc/05/18/98/212051898.db2.gz YQZSTNKUWWDODR-UHFFFAOYSA-N 0 0 342.370 2.512 50 0 EFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccs1 ZINC000085412993 284198272 /nfs/dbraw/zinc/19/82/72/284198272.db2.gz XBELOGUZTDNLIW-SWLSCSKDSA-N 0 0 328.345 2.920 50 0 EFAARN COc1ccc(C(=O)N2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000019553150 212041278 /nfs/dbraw/zinc/04/12/78/212041278.db2.gz ZSBFKNLOJVAEHQ-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 biogenic EFAARN CCN(C(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2)c1ccccc1 ZINC000000459973 284238521 /nfs/dbraw/zinc/23/85/21/284238521.db2.gz DTYANKZKMZCOQN-BEFAXECRSA-N 0 0 331.412 2.930 50 0 biogenic EFAARN CCN(C(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2)c1ccccc1 ZINC000000459976 284238523 /nfs/dbraw/zinc/23/85/23/284238523.db2.gz DTYANKZKMZCOQN-DNVCBOLYSA-N 0 0 331.412 2.930 50 0 biogenic EFAARN COC(=O)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)N1 ZINC000040566552 291507819 /nfs/dbraw/zinc/50/78/19/291507819.db2.gz KAZMRFPFSQRNLR-HZSPNIEDSA-N 0 0 339.819 2.874 50 0 EFAARN COC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321122 284266956 /nfs/dbraw/zinc/26/69/56/284266956.db2.gz SNZSXVYDOUDMKL-UWVGGRQHSA-N 0 0 349.456 2.738 50 0 EFAARN CC(C)(C)OC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000049411768 214007291 /nfs/dbraw/zinc/00/72/91/214007291.db2.gz CFQJGWVZGYWNEH-UHFFFAOYSA-N 0 0 343.221 2.704 50 0 EFAARN Cc1cn2c(CCC(=O)NCCOc3ccc(F)cc3)csc2n1 ZINC000049422432 214007450 /nfs/dbraw/zinc/00/74/50/214007450.db2.gz QRTMIEWWRHDSJP-UHFFFAOYSA-N 0 0 347.415 2.971 50 0 EFAARN C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCc3ccc(F)cc3)cc2C1 ZINC000049551714 214019016 /nfs/dbraw/zinc/01/90/16/214019016.db2.gz SPMVSUAVNQJTAE-GFCCVEGCSA-N 0 0 328.387 2.611 50 0 EFAARN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CN1CCCCC1 ZINC000019201882 212004813 /nfs/dbraw/zinc/00/48/13/212004813.db2.gz VHSVSGAXQVPWMA-OQLLNIDSSA-N 0 0 346.408 2.895 50 0 EFAARN Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CN1CCOCC1 ZINC000019201227 212003971 /nfs/dbraw/zinc/00/39/71/212003971.db2.gz YJOYABBIFQPBAD-UHFFFAOYSA-N 0 0 326.318 2.688 50 0 EFAARN COc1cccc(CC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1 ZINC000019145981 212001832 /nfs/dbraw/zinc/00/18/32/212001832.db2.gz IHDRPHXEVRRZHO-IBGZPJMESA-N 0 0 335.407 2.992 50 0 EFAARN O=C(Nc1ccc(Cl)cn1)c1coc(=O)c(Br)c1 ZINC000000547153 284302601 /nfs/dbraw/zinc/30/26/01/284302601.db2.gz PDPBERSDOLSTCK-UHFFFAOYSA-N 0 0 329.537 2.703 50 0 EFAARN CCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)cc1C ZINC000017821517 211972820 /nfs/dbraw/zinc/97/28/20/211972820.db2.gz XGLVWJQEWKNOEZ-OKILXGFUSA-N 0 0 327.446 2.500 50 0 EFAARN COc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCCC4)nc(C)c2c1 ZINC000018061628 211979679 /nfs/dbraw/zinc/97/96/79/211979679.db2.gz AMYAHANWDRGCKQ-UHFFFAOYSA-N 0 0 337.383 2.653 50 0 EFAARN Cc1cccc(NC(=O)Nc2nc(CC(=O)NC3CC3)cs2)c1 ZINC000017135394 211956184 /nfs/dbraw/zinc/95/61/84/211956184.db2.gz HBTHWQABOGRNHX-UHFFFAOYSA-N 0 0 330.413 2.917 50 0 EFAARN O=C(Nc1ccc(I)cc1)Nc1cnccn1 ZINC000019926612 284311761 /nfs/dbraw/zinc/31/17/61/284311761.db2.gz OIDIUUQLVLUHBN-UHFFFAOYSA-N 0 0 340.124 2.725 50 0 EFAARN CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccccc2C)c1C ZINC000017287817 211962385 /nfs/dbraw/zinc/96/23/85/211962385.db2.gz SLPMMFYHWBXFMM-UHFFFAOYSA-N 0 0 349.456 2.527 50 0 EFAARN COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000017070478 211950573 /nfs/dbraw/zinc/95/05/73/211950573.db2.gz HXCYHVQAXFOOAR-HNNXBMFYSA-N 0 0 334.416 2.599 50 0 EFAARN Cc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2Cl)cc1 ZINC000017052256 211948003 /nfs/dbraw/zinc/94/80/03/211948003.db2.gz AWJYUEXTDUKVHN-UHFFFAOYSA-N 0 0 342.790 2.946 50 0 EFAARN COc1ccc2oc(=Nc3ccc(C(C)=O)cc3)c(C(N)=O)cc2c1 ZINC000016890664 211938487 /nfs/dbraw/zinc/93/84/87/211938487.db2.gz DCXGVHLXRUYNCE-VZCXRCSSSA-N 0 0 336.347 2.975 50 0 EFAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NC(C)=O ZINC000016890412 211938375 /nfs/dbraw/zinc/93/83/75/211938375.db2.gz VWFKOEZCGHPGAU-VZCXRCSSSA-N 0 0 336.347 2.950 50 0 EFAARN O=S(=O)(Cc1ccccc1)NCCc1ccc(N2CCCC2)cc1 ZINC000016847311 211936948 /nfs/dbraw/zinc/93/69/48/211936948.db2.gz RWITWTIEHYVLQD-UHFFFAOYSA-N 0 0 344.480 2.949 50 0 EFAARN CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000078952591 217157841 /nfs/dbraw/zinc/15/78/41/217157841.db2.gz KIKBOIYISRGMKZ-OCCSQVGLSA-N 0 0 342.461 2.505 50 0 EFAARN COc1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000016577676 211914843 /nfs/dbraw/zinc/91/48/43/211914843.db2.gz SPNAGBWCDILIQE-UHFFFAOYSA-N 0 0 325.817 2.968 50 0 EFAARN COCCn1cc(CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 ZINC000079191889 217200240 /nfs/dbraw/zinc/20/02/40/217200240.db2.gz QLOKLVYZMCGLPA-MRXNPFEDSA-N 0 0 344.455 2.904 50 0 biogenic EFAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccnc1 ZINC000079191520 217200294 /nfs/dbraw/zinc/20/02/94/217200294.db2.gz JHJBEIHMTYMXNT-RHSMWYFYSA-N 0 0 337.331 2.644 50 0 biogenic EFAARN COc1cccc2c1ccn2CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079194129 217200703 /nfs/dbraw/zinc/20/07/03/217200703.db2.gz NXVOIJNFTWYQDK-YWZLYKJASA-N 0 0 342.439 2.804 50 0 biogenic EFAARN COCCn1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 ZINC000079189062 217200872 /nfs/dbraw/zinc/20/08/72/217200872.db2.gz WMRBDCCGNOCFOA-CQSZACIVSA-N 0 0 330.428 2.975 50 0 biogenic EFAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cccc2[nH]ccc21 ZINC000079478299 217230693 /nfs/dbraw/zinc/23/06/93/217230693.db2.gz AEOSPPNUXKQZBU-UHFFFAOYSA-N 0 0 337.379 2.796 50 0 EFAARN Cn1c(C(=O)N2CCN(CCc3ccccn3)CC2)cc2ccccc21 ZINC000079484450 217231730 /nfs/dbraw/zinc/23/17/30/217231730.db2.gz MLMJRTIMCHLOSZ-UHFFFAOYSA-N 0 0 348.450 2.574 50 0 EFAARN Cc1cc(=O)c(O)c(CN2CCN(Cc3ccccc3Cl)CC2)o1 ZINC000079489864 217232479 /nfs/dbraw/zinc/23/24/79/217232479.db2.gz JFWNHMBVRYCJHS-UHFFFAOYSA-N 0 0 348.830 2.625 50 0 EFAARN O=C(NCC1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000079488494 217233412 /nfs/dbraw/zinc/23/34/12/217233412.db2.gz PDISQGNCYGVSGW-UHFFFAOYSA-N 0 0 325.412 2.906 50 0 EFAARN Cc1csc2ncc(C(=O)Nc3cc(F)c(F)c(F)c3)c(=O)n12 ZINC000079491967 217233778 /nfs/dbraw/zinc/23/37/78/217233778.db2.gz USHVOGYHXXRFEK-UHFFFAOYSA-N 0 0 339.298 2.734 50 0 EFAARN COCCn1ccc2c1cccc2C(=O)Nc1nnc(COC)s1 ZINC000079491981 217234113 /nfs/dbraw/zinc/23/41/13/217234113.db2.gz MSZOXDYFUKFIPJ-UHFFFAOYSA-N 0 0 346.412 2.538 50 0 EFAARN CC(C)Cc1nnc(NC(=O)CCc2nc(-c3ccccc3)no2)[nH]1 ZINC000079497048 217234929 /nfs/dbraw/zinc/23/49/29/217234929.db2.gz QJOUBVDACJMTQW-UHFFFAOYSA-N 0 0 340.387 2.625 50 0 EFAARN O=C(Nc1ccc(O)cc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079501587 217234986 /nfs/dbraw/zinc/23/49/86/217234986.db2.gz OFIOJUXNEJHTCU-NSHDSACASA-N 0 0 332.791 2.691 50 0 EFAARN O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCc1ccncc1 ZINC000079474932 217229009 /nfs/dbraw/zinc/22/90/09/217229009.db2.gz ONQPIQXECRBBBJ-UHFFFAOYSA-N 0 0 347.378 2.862 50 0 EFAARN CCc1ccc(O[C@H](C)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000015835127 211857354 /nfs/dbraw/zinc/85/73/54/211857354.db2.gz MXRQMRDHUFEKLC-CYBMUJFWSA-N 0 0 337.383 2.631 50 0 EFAARN Cc1ccc(O[C@@H](C)C(=O)Oc2ccc(-n3cnnn3)cc2)cc1C ZINC000015838930 211860657 /nfs/dbraw/zinc/86/06/57/211860657.db2.gz HITNMLUUYLXWNU-AWEZNQCLSA-N 0 0 338.367 2.652 50 0 EFAARN COC(=O)C[C@@H](c1c(C)[nH][nH]c1=O)c1ccc(OC(C)C)c(OC)c1 ZINC000079501287 217235833 /nfs/dbraw/zinc/23/58/33/217235833.db2.gz FJZSOLKKXJYVLH-CYBMUJFWSA-N 0 0 348.399 2.915 50 0 EFAARN COC(=O)CC1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1 ZINC000079501979 217235962 /nfs/dbraw/zinc/23/59/62/217235962.db2.gz BCUATZSPICLKPP-UHFFFAOYSA-N 0 0 328.412 2.523 50 0 EFAARN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000015835119 211858133 /nfs/dbraw/zinc/85/81/33/211858133.db2.gz DPONLUFARHYVBO-INIZCTEOSA-N 0 0 341.346 2.598 50 0 EFAARN O=C(Nc1cccc(F)c1)c1nnn2c1CO[C@H](c1ccccc1)C2 ZINC000263617138 284351094 /nfs/dbraw/zinc/35/10/94/284351094.db2.gz MFMRLZRJNBUOJM-INIZCTEOSA-N 0 0 338.342 2.941 50 0 EFAARN CC(C)(C)OC(=O)n1ncc2c1nccc2I ZINC000080443863 217304528 /nfs/dbraw/zinc/30/45/28/217304528.db2.gz BDZNHHNQSQMWGF-UHFFFAOYSA-N 0 0 345.140 2.819 50 0 EFAARN Cc1noc(CCNC(=O)c2cc(C(C)C)nn2-c2ccccc2)n1 ZINC000080337650 217299066 /nfs/dbraw/zinc/29/90/66/217299066.db2.gz QFVIBLJZGCQPBU-UHFFFAOYSA-N 0 0 339.399 2.660 50 0 EFAARN CC[C@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000080358497 217299983 /nfs/dbraw/zinc/29/99/83/217299983.db2.gz PVHNFYBUARBSPC-LRDDRELGSA-N 0 0 348.468 2.884 50 0 EFAARN Cc1cc(C(=O)NCc2cccnc2Oc2ccccc2C)nc(N)n1 ZINC000015066577 211795885 /nfs/dbraw/zinc/79/58/85/211795885.db2.gz VTYVPTJERUTXQV-UHFFFAOYSA-N 0 0 349.394 2.793 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000015074535 211798661 /nfs/dbraw/zinc/79/86/61/211798661.db2.gz MQGOXTOEIPHFSG-KRWDZBQOSA-N 0 0 346.402 2.833 50 0 EFAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)CCN2CCCO2)c1C ZINC000015062737 211793730 /nfs/dbraw/zinc/79/37/30/211793730.db2.gz FBMKCDBAUPDOGV-UHFFFAOYSA-N 0 0 329.444 2.991 50 0 EFAARN CCC(CC)C(=O)NC[C@@H](C)Oc1cccc(CN2CCOCC2)c1 ZINC000014973762 211782160 /nfs/dbraw/zinc/78/21/60/211782160.db2.gz YSHXTAHFDOEIAM-MRXNPFEDSA-N 0 0 348.487 2.839 50 0 EFAARN CS(=O)(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000014980469 211784049 /nfs/dbraw/zinc/78/40/49/211784049.db2.gz ZQZZRUXHALKMOY-GOSISDBHSA-N 0 0 345.464 2.869 50 0 EFAARN O=C(c1ccc(Br)cc1C(F)(F)F)N1CCOCC1 ZINC000096494128 296204320 /nfs/dbraw/zinc/20/43/20/296204320.db2.gz LGCLNGSOULXHEN-UHFFFAOYSA-N 0 0 338.123 2.940 50 0 EFAARN C[C@@H](Oc1ccc(CN2CC[NH+](CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000220416855 296208459 /nfs/dbraw/zinc/20/84/59/296208459.db2.gz TZXUTCCLANZYPY-MRXNPFEDSA-N 0 0 346.471 2.846 50 0 EFAARN CC(C)Cc1cc(C(=O)N[C@@H](CO)Cc2ccc(Cl)cc2)n(C)n1 ZINC000082086970 217460803 /nfs/dbraw/zinc/46/08/03/217460803.db2.gz GUCUPPKSBKVGBI-MRXNPFEDSA-N 0 0 349.862 2.605 50 0 EFAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ncnn1C ZINC000082097100 217463314 /nfs/dbraw/zinc/46/33/14/217463314.db2.gz BRPOPPRSVADWFW-OAHLLOKOSA-N 0 0 325.372 2.597 50 0 EFAARN COc1ccc(C(=O)N2CCCC[C@H]2CCNC(C)=O)cc1Cl ZINC000082108464 217467890 /nfs/dbraw/zinc/46/78/90/217467890.db2.gz LGEXLJSEAYLBML-AWEZNQCLSA-N 0 0 338.835 2.870 50 0 EFAARN COc1ccc2oc(CNC(=O)CCc3scnc3C)nc2c1 ZINC000082107199 217468253 /nfs/dbraw/zinc/46/82/53/217468253.db2.gz XDRCRNUBBQEHAD-UHFFFAOYSA-N 0 0 331.397 2.850 50 0 EFAARN Cc1cc(C)n(CCCC(=O)N2CCC([C@H](O)CC(C)C)CC2)n1 ZINC000082107334 217468285 /nfs/dbraw/zinc/46/82/85/217468285.db2.gz ZOGABMUGRLDAAD-GOSISDBHSA-N 0 0 335.492 2.926 50 0 EFAARN Cc1nc(C)n(CCCNC(=O)c2csc(-c3cccs3)n2)n1 ZINC000082097628 217465099 /nfs/dbraw/zinc/46/50/99/217465099.db2.gz RBDSQLBUOUCERT-UHFFFAOYSA-N 0 0 347.469 2.900 50 0 EFAARN CSc1ccccc1C(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000082157073 217479795 /nfs/dbraw/zinc/47/97/95/217479795.db2.gz PPJQYEHMGGYXHV-UHFFFAOYSA-N 0 0 343.452 2.820 50 0 EFAARN CC(=O)c1ccc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)s1 ZINC000082126173 217474104 /nfs/dbraw/zinc/47/41/04/217474104.db2.gz LJTLSAMKSQGANH-UHFFFAOYSA-N 0 0 342.380 2.668 50 0 EFAARN CCn1cnnc1CCn1ccnc1-c1cc(OC)c(OC)cc1F ZINC000082136850 217474521 /nfs/dbraw/zinc/47/45/21/217474521.db2.gz PLZWMVDBJWVAFJ-UHFFFAOYSA-N 0 0 345.378 2.561 50 0 EFAARN Cc1noc2nc3c(c(C(=O)N4Cc5ccccc5[C@H](O)C4)c12)CCC3 ZINC000082134963 217474571 /nfs/dbraw/zinc/47/45/71/217474571.db2.gz DFQWSIJDAYZVEL-MRXNPFEDSA-N 0 0 349.390 2.709 50 0 EFAARN Cc1nc(C)n(CCNC(=O)c2csc(-c3cccs3)n2)n1 ZINC000082137787 217475740 /nfs/dbraw/zinc/47/57/40/217475740.db2.gz RHURMLHAQBLBLD-UHFFFAOYSA-N 0 0 333.442 2.510 50 0 EFAARN O=C(c1cccnn1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082139124 217477136 /nfs/dbraw/zinc/47/71/36/217477136.db2.gz JSIGGFDZSRIJFE-KRWDZBQOSA-N 0 0 347.422 2.741 50 0 EFAARN O=C(CCn1cccn1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000082170829 217482039 /nfs/dbraw/zinc/48/20/39/217482039.db2.gz JHSMNCSCMOJEAS-QGZVFWFLSA-N 0 0 327.428 2.993 50 0 EFAARN C[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)C[C@H](C)O1 ZINC000014194854 211708324 /nfs/dbraw/zinc/70/83/24/211708324.db2.gz IWMHCFVAODARPP-BETUJISGSA-N 0 0 331.441 2.858 50 0 EFAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1 ZINC000034792436 284451959 /nfs/dbraw/zinc/45/19/59/284451959.db2.gz YCCPHMBIMIJBPW-QZTJIDSGSA-N 0 0 336.391 2.953 50 0 biogenic EFAARN Cn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccncc1 ZINC000013945036 211658893 /nfs/dbraw/zinc/65/88/93/211658893.db2.gz MDPNVLJURFPTGD-UHFFFAOYSA-N 0 0 339.424 2.998 50 0 EFAARN COc1cccc(NC(=O)NCC[C@H](O)c2ccccc2)c1OC ZINC000085436542 217667548 /nfs/dbraw/zinc/66/75/48/217667548.db2.gz QAOYNVFCFRWSAT-HNNXBMFYSA-N 0 0 330.384 2.949 50 0 EFAARN O=C(c1cc(-n2cccc2)ccn1)N1CCn2c3ccccc3nc21 ZINC000085472820 217672815 /nfs/dbraw/zinc/67/28/15/217672815.db2.gz YWSAFWJIRGVBKP-UHFFFAOYSA-N 0 0 329.363 2.882 50 0 EFAARN O=C(COc1ccc(Cl)cc1)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000085559243 217677399 /nfs/dbraw/zinc/67/73/99/217677399.db2.gz TZVHUDOBHJDDFA-INIZCTEOSA-N 0 0 347.798 2.504 50 0 EFAARN O=C(NCCNC(=O)c1ccccc1Cl)c1cc2ccccc2[nH]1 ZINC000013723849 211622745 /nfs/dbraw/zinc/62/27/45/211622745.db2.gz QITSUYVQNFGLNC-UHFFFAOYSA-N 0 0 341.798 2.981 50 0 EFAARN CC(C)C(=O)NCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000013690955 211612253 /nfs/dbraw/zinc/61/22/53/211612253.db2.gz NKGRECHPXFTMJB-UHFFFAOYSA-N 0 0 329.278 2.907 50 0 EFAARN Cc1nc2sccn2c(=O)c1NC(=O)[C@H](C)Oc1ccccc1F ZINC000013707968 211615594 /nfs/dbraw/zinc/61/55/94/211615594.db2.gz KDASPNGYWYWJQN-JTQLQIEISA-N 0 0 347.371 2.610 50 0 EFAARN CC[C@@H](Sc1ncnc2[nH]cnc21)C(=O)N1CCc2ccccc21 ZINC000013572020 211583971 /nfs/dbraw/zinc/58/39/71/211583971.db2.gz DYWCXLTXNFZSHQ-CYBMUJFWSA-N 0 0 339.424 2.813 50 0 EFAARN COCC[C@H]1CCCCN1C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000426381803 247272175 /nfs/dbraw/zinc/27/21/75/247272175.db2.gz UVFDZIMGZVRMOT-CQSZACIVSA-N 0 0 330.432 2.972 50 0 EFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(-c2cccc(N)n2)cc1 ZINC000426386477 247272399 /nfs/dbraw/zinc/27/23/99/247272399.db2.gz USXVZRACZSWJPD-UHFFFAOYSA-N 0 0 349.438 2.985 50 0 EFAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC(c2ncon2)CC1 ZINC000426380373 247273003 /nfs/dbraw/zinc/27/30/03/247273003.db2.gz KOPPAKCZCWHIGI-UHFFFAOYSA-N 0 0 342.374 2.947 50 0 EFAARN Cc1cnccc1-c1ccc(C(=O)NCCN2CCCOC2=O)cc1 ZINC000426395152 247273812 /nfs/dbraw/zinc/27/38/12/247273812.db2.gz IUSINTMXAHWTRZ-UHFFFAOYSA-N 0 0 339.395 2.629 50 0 EFAARN C[C@@H](NC(=O)NC1(C(N)=O)CCCCCC1)c1nc2ccccc2[nH]1 ZINC000426394573 247274083 /nfs/dbraw/zinc/27/40/83/247274083.db2.gz KDOQSFJCTDUCLW-GFCCVEGCSA-N 0 0 343.431 2.501 50 0 EFAARN CCOc1ccc(C(C)=O)cc1NC(=O)NCCc1nc(CC)no1 ZINC000426392776 247274220 /nfs/dbraw/zinc/27/42/20/247274220.db2.gz 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EFAARN Cn1c2ccccc2nc1SCc1nnnn1-c1ccc(F)cc1 ZINC000009059614 211035683 /nfs/dbraw/zinc/03/56/83/211035683.db2.gz IHCTUWIIYXNEEI-UHFFFAOYSA-N 0 0 340.387 2.980 50 0 EFAARN COc1cccc2c1OC[C@H](CNC(=O)CCc1c(C)noc1C)C2 ZINC000095362236 218295723 /nfs/dbraw/zinc/29/57/23/218295723.db2.gz FXKZNDKPVPPGFB-AWEZNQCLSA-N 0 0 344.411 2.600 50 0 EFAARN Cc1nc2ncccc2c(N2CCC3(CC2)c2ccccc2C[C@H]3O)n1 ZINC000095363184 218295793 /nfs/dbraw/zinc/29/57/93/218295793.db2.gz MPCMXADOVSXLTI-GOSISDBHSA-N 0 0 346.434 2.788 50 0 EFAARN COc1ccc(CCCNc2ncc(F)c(N(C)C)n2)cc1OC ZINC000095363296 218296062 /nfs/dbraw/zinc/29/60/62/218296062.db2.gz VEYXUJLANYZXJA-UHFFFAOYSA-N 0 0 334.395 2.744 50 0 EFAARN Cc1ccc(N2C[C@H](CNC(=O)NCc3ccccc3)CC2=O)cc1 ZINC000009040490 211033527 /nfs/dbraw/zinc/03/35/27/211033527.db2.gz AZLZRTRMHVQHJG-KRWDZBQOSA-N 0 0 337.423 2.847 50 0 EFAARN O=C(NCc1ccc(F)cc1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009039027 211033294 /nfs/dbraw/zinc/03/32/94/211033294.db2.gz GIBHRCWNGQBIOO-HNNXBMFYSA-N 0 0 341.386 2.678 50 0 EFAARN COc1ccc(N2C[C@H](CNC(=O)Nc3cccs3)CC2=O)cc1 ZINC000009039181 211032922 /nfs/dbraw/zinc/03/29/22/211032922.db2.gz NTUPPKUGDCCYPP-LBPRGKRZSA-N 0 0 345.424 2.931 50 0 EFAARN Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3CN2C)sc1Cl ZINC000095364617 218298215 /nfs/dbraw/zinc/29/82/15/218298215.db2.gz ZWCGRSKERVTXIH-AWEZNQCLSA-N 0 0 349.887 2.820 50 0 EFAARN Cc1cc(C)n2nc(CC(=O)Nc3nc4ccccc4s3)nc2n1 ZINC000008974147 211024068 /nfs/dbraw/zinc/02/40/68/211024068.db2.gz ZGEHEGOIDOFBPE-UHFFFAOYSA-N 0 0 338.396 2.532 50 0 EFAARN Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccn(C(F)F)n1 ZINC000095375001 218307237 /nfs/dbraw/zinc/30/72/37/218307237.db2.gz JOTXLPNPZJWNQY-CYBMUJFWSA-N 0 0 337.374 2.868 50 0 EFAARN CCc1ccccc1OC1CN(C(=O)c2ccc(OC)c(O)c2)C1 ZINC000095374550 218307364 /nfs/dbraw/zinc/30/73/64/218307364.db2.gz YSNDJWPOIMZPLM-UHFFFAOYSA-N 0 0 327.380 2.867 50 0 EFAARN CCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 ZINC000008962371 211023802 /nfs/dbraw/zinc/02/38/02/211023802.db2.gz TUPOZMPAMNPNEE-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN CSc1nnc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)s1 ZINC000008996162 211029632 /nfs/dbraw/zinc/02/96/32/211029632.db2.gz UBUMSVFRNODSOF-UHFFFAOYSA-N 0 0 333.398 2.608 50 0 EFAARN CC(C)(C)c1nnc(NC(=O)Cn2c3ccccc3sc2=O)s1 ZINC000008994539 211029753 /nfs/dbraw/zinc/02/97/53/211029753.db2.gz OXQFKWZONJIRGU-UHFFFAOYSA-N 0 0 348.453 2.851 50 0 EFAARN CCCCSc1nc(N)cc(N2CCC[C@@H](N3CCCC3=O)C2)n1 ZINC000095369114 218301491 /nfs/dbraw/zinc/30/14/91/218301491.db2.gz SMPMJJZBFQVNGF-CYBMUJFWSA-N 0 0 349.504 2.542 50 0 EFAARN Cc1ccccc1[C@H](C(=O)NCCNc1ncccc1C)N(C)C ZINC000095368854 218301740 /nfs/dbraw/zinc/30/17/40/218301740.db2.gz GAPZMUIPEDQNRX-QGZVFWFLSA-N 0 0 326.444 2.529 50 0 EFAARN Cc1c(Cl)c(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)nn1C ZINC000095368340 218301908 /nfs/dbraw/zinc/30/19/08/218301908.db2.gz MOHSQZNZXQXJOE-JTQLQIEISA-N 0 0 337.811 2.866 50 0 EFAARN CC(C)CCC[C@H](C)NC(=O)CNc1nc(Cl)nc2nc[nH]c21 ZINC000008990139 211028558 /nfs/dbraw/zinc/02/85/58/211028558.db2.gz HNYCLKMDRAKILF-JTQLQIEISA-N 0 0 338.843 2.749 50 0 EFAARN O=C([O-])c1ccc([C@@H]2CCC[N@H+](CCC(=O)N3CCCC3)C2)cc1 ZINC000095370015 218302793 /nfs/dbraw/zinc/30/27/93/218302793.db2.gz OMOFSNVCIDOKBI-QGZVFWFLSA-N 0 0 330.428 2.577 50 0 EFAARN C[C@@H](c1noc(-c2c[nH]nc2-c2ccccc2)n1)N1CCOCC1 ZINC000095370266 218303133 /nfs/dbraw/zinc/30/31/33/218303133.db2.gz IFIKXPVQWRYMTL-LBPRGKRZSA-N 0 0 325.372 2.520 50 0 EFAARN CC(C)CCC[C@@H](C)NC(=O)CNc1nc(Cl)nc2nc[nH]c21 ZINC000008990138 211028158 /nfs/dbraw/zinc/02/81/58/211028158.db2.gz HNYCLKMDRAKILF-SNVBAGLBSA-N 0 0 338.843 2.749 50 0 EFAARN O=C(NCCCNC(=O)c1ccc2ccccc2n1)c1cccs1 ZINC000008991142 211028296 /nfs/dbraw/zinc/02/82/96/211028296.db2.gz NEULVOQVLKDLLD-UHFFFAOYSA-N 0 0 339.420 2.846 50 0 EFAARN O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(Cc1nccs1)C2 ZINC000095369656 218303289 /nfs/dbraw/zinc/30/32/89/218303289.db2.gz ZFYQQLBAVFXGOM-GDBMZVCRSA-N 0 0 327.453 2.880 50 0 EFAARN CCc1ncc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cn1 ZINC000095371486 218303810 /nfs/dbraw/zinc/30/38/10/218303810.db2.gz JTNAPSOKQHAWQH-HNNXBMFYSA-N 0 0 332.835 2.725 50 0 EFAARN CCc1ccccc1OC1CN(C(=O)c2cc(OC)ccc2O)C1 ZINC000095371263 218304157 /nfs/dbraw/zinc/30/41/57/218304157.db2.gz NYVSCLYGUXXJLX-UHFFFAOYSA-N 0 0 327.380 2.867 50 0 EFAARN Cc1cc(C)n(CCN(C)C(=O)[C@@H](c2ccc(C)cc2)N(C)C)n1 ZINC000095371009 218304299 /nfs/dbraw/zinc/30/42/99/218304299.db2.gz MUNVPCXLZGEZMR-GOSISDBHSA-N 0 0 328.460 2.570 50 0 EFAARN Cc1ccc([C@@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)cc1 ZINC000095370999 218304354 /nfs/dbraw/zinc/30/43/54/218304354.db2.gz IYEYQBVNJVKULB-INIZCTEOSA-N 0 0 334.851 2.654 50 0 EFAARN CN(C)c1ccc(CCNC(=O)[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000095372845 218305360 /nfs/dbraw/zinc/30/53/60/218305360.db2.gz WLNXPYOBYOKCGS-LJQANCHMSA-N 0 0 343.446 2.853 50 0 EFAARN CC(C)S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000008977197 211025294 /nfs/dbraw/zinc/02/52/94/211025294.db2.gz NWLTVAJTRSVCPX-UHFFFAOYSA-N 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LPZGBJYSKNWPQQ-CYBMUJFWSA-N 0 0 342.370 2.617 50 0 EFAARN O=C(c1coc(CN2CCOCC2)c1)N1CCC[C@@H]1c1ccco1 ZINC000095378969 218311614 /nfs/dbraw/zinc/31/16/14/218311614.db2.gz JRXIPBDQISVNIM-MRXNPFEDSA-N 0 0 330.384 2.682 50 0 EFAARN Cc1cc([C@@H]2CCCCN2C(=O)C2CCN(C(=O)C3CC3)CC2)no1 ZINC000095378174 218311697 /nfs/dbraw/zinc/31/16/97/218311697.db2.gz OMRUAYAQFVKIDX-KRWDZBQOSA-N 0 0 345.443 2.685 50 0 EFAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)cc1OC ZINC000008914835 211016866 /nfs/dbraw/zinc/01/68/66/211016866.db2.gz DHEXUTJZUVXJGM-OAHLLOKOSA-N 0 0 348.399 2.673 50 0 EFAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@]2(CCOC2)C1 ZINC000095382328 218314444 /nfs/dbraw/zinc/31/44/44/218314444.db2.gz RAQRGQUIGWIWSJ-CQSZACIVSA-N 0 0 349.374 2.897 50 0 EFAARN O=C(NC[C@H]1CCc2ccccc2O1)c1cnc(-c2cccnc2)nc1 ZINC000095382634 218314591 /nfs/dbraw/zinc/31/45/91/218314591.db2.gz KMBBNGRRBBJFOG-QGZVFWFLSA-N 0 0 346.390 2.662 50 0 EFAARN Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000008844252 211011060 /nfs/dbraw/zinc/01/10/60/211011060.db2.gz XPUBXQFGIRTNBH-UHFFFAOYSA-N 0 0 329.425 2.688 50 0 EFAARN COc1cccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C)c1 ZINC000008845536 211010717 /nfs/dbraw/zinc/01/07/17/211010717.db2.gz XTDJNRXWCUMMTK-SFHVURJKSA-N 0 0 335.363 2.966 50 0 EFAARN O=C(NCc1ccc2c(c1)CCCO2)c1cnc(-c2ccncc2)nc1 ZINC000095388435 218320289 /nfs/dbraw/zinc/32/02/89/218320289.db2.gz DZNVSEQVVKTBFP-UHFFFAOYSA-N 0 0 346.390 2.794 50 0 EFAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=S)N(C)C)cc1 ZINC000008830105 211009787 /nfs/dbraw/zinc/00/97/87/211009787.db2.gz OZEHGTJVTJEUSN-UHFFFAOYSA-N 0 0 338.436 2.762 50 0 EFAARN O=C([O-])[C@H](c1cccc(OCC(F)(F)F)c1)[NH+]1CCSCC1 ZINC000095388389 218320437 /nfs/dbraw/zinc/32/04/37/218320437.db2.gz OMPMNXGRCFYJKY-LBPRGKRZSA-N 0 0 335.347 2.802 50 0 EFAARN COC(=O)C1C(C)=Nc2nc(SC)nn2[C@@H]1c1cccc(F)c1 ZINC000008843502 211009168 /nfs/dbraw/zinc/00/91/68/211009168.db2.gz VBYDCGSSNYAVEJ-GFCCVEGCSA-N 0 0 334.376 2.601 50 0 EFAARN CCc1nnsc1C(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095390467 218321611 /nfs/dbraw/zinc/32/16/11/218321611.db2.gz PQYPLCREFTZZPH-GFCCVEGCSA-N 0 0 333.461 2.898 50 0 EFAARN COCCN1c2ccccc2N(C(=O)c2ccccc2)C[C@@H](C)C1=O ZINC000008809910 211008060 /nfs/dbraw/zinc/00/80/60/211008060.db2.gz GJJVXPHTWOHJQB-OAHLLOKOSA-N 0 0 338.407 2.963 50 0 EFAARN COc1cccc(OC2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)c1 ZINC000095390879 218322279 /nfs/dbraw/zinc/32/22/79/218322279.db2.gz GPYPJFSMMMQKPJ-UHFFFAOYSA-N 0 0 349.390 2.989 50 0 EFAARN Cc1ccccc1[C@@H](C(=O)N(C)Cc1cc(C2CC2)n[nH]1)N(C)C ZINC000095390654 218322568 /nfs/dbraw/zinc/32/25/68/218322568.db2.gz GFXARXYWBRDVNZ-SFHVURJKSA-N 0 0 326.444 2.857 50 0 EFAARN CCc1ncc(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)cn1 ZINC000095390726 218322668 /nfs/dbraw/zinc/32/26/68/218322668.db2.gz LYUNVTNGKPAEEB-QGZVFWFLSA-N 0 0 342.418 2.745 50 0 EFAARN COc1cccc(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)c1OC ZINC000095384095 218315497 /nfs/dbraw/zinc/31/54/97/218315497.db2.gz JSCSISYYFCRVJE-KRWDZBQOSA-N 0 0 346.402 2.762 50 0 EFAARN Cc1nc2ccsc2c(N2CCC([C@H](O)c3nccn3C)CC2)n1 ZINC000095384423 218317219 /nfs/dbraw/zinc/31/72/19/218317219.db2.gz JJKDCFHMVUZKPC-AWEZNQCLSA-N 0 0 343.456 2.683 50 0 EFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C ZINC000095386093 218317665 /nfs/dbraw/zinc/31/76/65/218317665.db2.gz CQPSVCPBLSYADZ-GOSISDBHSA-N 0 0 328.460 2.639 50 0 EFAARN Cc1ccnc2c(NCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cccc12 ZINC000095393415 218324967 /nfs/dbraw/zinc/32/49/67/218324967.db2.gz ZYRMKHIZHFILFG-RMHZUWNSSA-N 0 0 333.391 2.720 50 0 EFAARN COC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000008777112 211004643 /nfs/dbraw/zinc/00/46/43/211004643.db2.gz PLIQLGMOUGEZCY-UHFFFAOYSA-N 0 0 346.433 2.771 50 0 EFAARN O=C1C[C@H](c2cccc(O)c2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000008770252 211004243 /nfs/dbraw/zinc/00/42/43/211004243.db2.gz RKVHDBQRYXYSKO-CQSZACIVSA-N 0 0 333.347 2.617 50 0 EFAARN Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C)CO)c(C)c3cc2c1C ZINC000008764661 211002807 /nfs/dbraw/zinc/00/28/07/211002807.db2.gz QEQSNRODJSWDSU-VIFPVBQESA-N 0 0 343.379 2.504 50 0 biogenic EFAARN CSc1nsc(NC(=O)c2cncc(Br)c2)n1 ZINC000008782296 211005993 /nfs/dbraw/zinc/00/59/93/211005993.db2.gz JEGAXDMTGBSQHL-UHFFFAOYSA-N 0 0 331.220 2.670 50 0 EFAARN CCc1ccc(NC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000095402553 218337782 /nfs/dbraw/zinc/33/77/82/218337782.db2.gz OLYHOLMIDVZHME-CALCHBBNSA-N 0 0 340.423 2.919 50 0 EFAARN CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCOC)cc1 ZINC000008723076 210991339 /nfs/dbraw/zinc/99/13/39/210991339.db2.gz LVDJTLUZDRRVQX-UHFFFAOYSA-N 0 0 342.395 2.714 50 0 EFAARN C=Cc1ccc(Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)cc1 ZINC000008588354 210969696 /nfs/dbraw/zinc/96/96/96/210969696.db2.gz KOCSDYVOYDWYOI-UHFFFAOYSA-N 0 0 340.329 2.969 50 0 EFAARN CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1 ZINC000008606854 210973266 /nfs/dbraw/zinc/97/32/66/210973266.db2.gz IKXOOUFSSVOOGI-UHFFFAOYSA-N 0 0 337.379 2.594 50 0 EFAARN CCCn1nc(-c2ccncc2)nc1Cn1cnc2ccccc2c1=O ZINC000095501472 218415939 /nfs/dbraw/zinc/41/59/39/218415939.db2.gz HYCYFSOWJGYBPI-UHFFFAOYSA-N 0 0 346.394 2.508 50 0 EFAARN Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2c(ccn2C)c1 ZINC000095473222 218409016 /nfs/dbraw/zinc/40/90/16/218409016.db2.gz QDPKFYFAAGTBKR-UHFFFAOYSA-N 0 0 339.395 2.773 50 0 EFAARN COCCn1ccc2c1cccc2C(=O)NCC(=O)c1ccccc1 ZINC000095476455 218410167 /nfs/dbraw/zinc/41/01/67/218410167.db2.gz JBKHMKSPZMSESK-UHFFFAOYSA-N 0 0 336.391 2.900 50 0 EFAARN COc1cccc(CN2CCN(c3ncccc3Cl)CC2=O)c1 ZINC000095506055 218419118 /nfs/dbraw/zinc/41/91/18/218419118.db2.gz KZBWLASGLFRNQQ-UHFFFAOYSA-N 0 0 331.803 2.592 50 0 EFAARN O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095508390 218421429 /nfs/dbraw/zinc/42/14/29/218421429.db2.gz PFTQWGFEKFAZFE-IXDOHACOSA-N 0 0 326.396 2.605 50 0 EFAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)CCc1c(C)noc1C)C2 ZINC000095515173 218422841 /nfs/dbraw/zinc/42/28/41/218422841.db2.gz DRMPLAMHVRZEHL-CQSZACIVSA-N 0 0 344.411 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COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000006152171 210593799 /nfs/dbraw/zinc/59/37/99/210593799.db2.gz DEZAFXINGYWNRL-MRXNPFEDSA-N 0 0 338.407 2.991 50 0 EFAARN O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344844 218744577 /nfs/dbraw/zinc/74/45/77/218744577.db2.gz IBFHMXVLILLDGM-LLVKDONJSA-N 0 0 338.342 2.694 50 0 EFAARN O=C(NCCCn1ccc2cccnc21)c1ccc2nsnc2c1 ZINC000096353459 218745255 /nfs/dbraw/zinc/74/52/55/218745255.db2.gz NIVAOGTXBQTTQE-UHFFFAOYSA-N 0 0 337.408 2.861 50 0 EFAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006050415 210580766 /nfs/dbraw/zinc/58/07/66/210580766.db2.gz CXRDHJITRUBQEO-LLVKDONJSA-N 0 0 331.224 2.959 50 0 EFAARN O=C1OC=C2Nc3cc4c(cc3[C@H](c3ccc(F)cc3)C12)OCCO4 ZINC000013598761 284946458 /nfs/dbraw/zinc/94/64/58/284946458.db2.gz FOCNALWTYGTNKD-KRWDZBQOSA-N 0 0 339.322 2.965 50 0 EFAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nccn3)CC2)c1C ZINC000245070510 291804201 /nfs/dbraw/zinc/80/42/01/291804201.db2.gz 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c1coc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)c1 ZINC000005119555 210393774 /nfs/dbraw/zinc/39/37/74/210393774.db2.gz DQZKSKOHJAMXPY-UHFFFAOYSA-N 0 0 326.337 2.625 50 0 EFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1 ZINC000005059803 210378930 /nfs/dbraw/zinc/37/89/30/210378930.db2.gz XXUJIWUEVVRHTP-UHFFFAOYSA-N 0 0 348.402 2.648 50 0 EFAARN CCn1ncc(C2=NO[C@@H](C(=O)Nc3ccc(F)cc3F)C2)c1C ZINC000005053444 210376049 /nfs/dbraw/zinc/37/60/49/210376049.db2.gz VXGRJNHCYBILLA-OAHLLOKOSA-N 0 0 334.326 2.621 50 0 EFAARN COc1cccc(C(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000005071104 210383269 /nfs/dbraw/zinc/38/32/69/210383269.db2.gz LPOGICPZRFMRIG-INIZCTEOSA-N 0 0 343.404 2.653 50 0 EFAARN Cc1ccc(SCCCNC(=O)c2cc3ncccn3n2)cc1 ZINC000097099557 218952636 /nfs/dbraw/zinc/95/26/36/218952636.db2.gz JPDZHJADTALEFQ-UHFFFAOYSA-N 0 0 326.425 2.950 50 0 EFAARN S=C(NCc1ccco1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000005060951 210380142 /nfs/dbraw/zinc/38/01/42/210380142.db2.gz GMPZVJIOGUGWDI-XBXARRHUSA-N 0 0 341.480 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C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC000097553197 219035058 /nfs/dbraw/zinc/03/50/58/219035058.db2.gz LXEBZCAOBAZVDB-AWEZNQCLSA-N 0 0 340.427 2.609 50 0 EFAARN O=C(CCc1cn2ccccc2n1)N1CCC[C@]2(CCCO2)CC1 ZINC000097570861 219035292 /nfs/dbraw/zinc/03/52/92/219035292.db2.gz BHGDHUTURMCFGV-IBGZPJMESA-N 0 0 327.428 2.829 50 0 EFAARN Cc1nnsc1CNC(=O)Nc1ccnn1C[C@@H]1CC=CCC1 ZINC000097568964 219035391 /nfs/dbraw/zinc/03/53/91/219035391.db2.gz JHJMZLADWGCHIP-GFCCVEGCSA-N 0 0 332.433 2.721 50 0 EFAARN CCOc1ccc(Br)cc1S(=O)(=O)n1ccc(C)n1 ZINC000004839152 210294732 /nfs/dbraw/zinc/29/47/32/210294732.db2.gz XBDNVZHOEPWNOO-UHFFFAOYSA-N 0 0 345.218 2.590 50 0 EFAARN CCn1ccnc1[C@H]1CCCN(C(=O)c2cn3cccc(C)c3n2)C1 ZINC000097575093 219035940 /nfs/dbraw/zinc/03/59/40/219035940.db2.gz RQOXZIZHUHMWQQ-HNNXBMFYSA-N 0 0 337.427 2.879 50 0 EFAARN O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1c(F)cccc1Cl ZINC000097578363 219035953 /nfs/dbraw/zinc/03/59/53/219035953.db2.gz YOTZZJSORVZSJL-HNNXBMFYSA-N 0 0 332.762 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FMGAXGOYPWGFLG-UHFFFAOYSA-N 0 0 349.247 2.586 50 0 EFAARN COCCOc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000181087659 533206989 /nfs/dbraw/zinc/20/69/89/533206989.db2.gz DELUNEZVJVEKOQ-KRWDZBQOSA-N 0 0 340.423 2.812 50 0 EFAARN Cn1nccc1CCC(=O)NCc1ccccc1OC(F)(F)F ZINC000119201798 221264986 /nfs/dbraw/zinc/26/49/86/221264986.db2.gz VAAMXQWEFLRKFL-UHFFFAOYSA-N 0 0 327.306 2.568 50 0 EFAARN C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000009341113 257951377 /nfs/dbraw/zinc/95/13/77/257951377.db2.gz ZTFBVKUEFFTCOE-AWEZNQCLSA-N 0 0 332.419 2.936 50 0 EFAARN CC(C)c1ccc(C(=O)N[C@@H]2COC3(C2)CCCCC3)c(=O)n1C ZINC000426667603 257958984 /nfs/dbraw/zinc/95/89/84/257958984.db2.gz PMOLGCAXBABQKP-AWEZNQCLSA-N 0 0 332.444 2.730 50 0 EFAARN CCCc1nc(C)cc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)n1 ZINC000426652149 257959909 /nfs/dbraw/zinc/95/99/09/257959909.db2.gz XAMQMLOHGBBNPB-MRXNPFEDSA-N 0 0 325.412 2.923 50 0 EFAARN COCCN(Cc1nccs1)C(=O)c1ccc(C)n1C(F)F ZINC000426620302 257960832 /nfs/dbraw/zinc/96/08/32/257960832.db2.gz WSHBCPZXZPXFLP-UHFFFAOYSA-N 0 0 329.372 2.937 50 0 EFAARN CCN(CC(F)(F)F)C(=O)c1cccc(-c2cnc(=O)[nH]c2)c1 ZINC000426602556 257961782 /nfs/dbraw/zinc/96/17/82/257961782.db2.gz SPFJIHBNEIGMHD-UHFFFAOYSA-N 0 0 325.290 2.874 50 0 EFAARN COc1ccc2c(c1)OC[C@H](CNC(=O)c1onc3c1CCCC3)C2 ZINC000426580676 257962323 /nfs/dbraw/zinc/96/23/23/257962323.db2.gz GMOHSTLWCAFONZ-LBPRGKRZSA-N 0 0 342.395 2.543 50 0 EFAARN CCOc1ccc(OCCN(C)c2cc([C@H]3CCOC3)ncn2)cc1 ZINC000426578898 257962331 /nfs/dbraw/zinc/96/23/31/257962331.db2.gz ZHRBACNAMSWHFG-HNNXBMFYSA-N 0 0 343.427 2.894 50 0 EFAARN CCSCCN(C(=O)NCc1nnc(C)[nH]1)C1CCCCC1 ZINC000426548788 257963657 /nfs/dbraw/zinc/96/36/57/257963657.db2.gz MXCYKAIVPNHMGD-UHFFFAOYSA-N 0 0 325.482 2.711 50 0 EFAARN CC(C)[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)C(=O)[O-] ZINC000426538737 257964261 /nfs/dbraw/zinc/96/42/61/257964261.db2.gz ZKHQVPYNIMIQRU-QGZVFWFLSA-N 0 0 332.444 2.902 50 0 EFAARN CCC[C@@H](NC(=O)NC(C)(C)c1ccc(OCC)cc1)C(=O)NC ZINC000426443058 257967966 /nfs/dbraw/zinc/96/79/66/257967966.db2.gz TYNVRXKQWCRSPR-OAHLLOKOSA-N 0 0 335.448 2.534 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br ZINC000000361802 257929274 /nfs/dbraw/zinc/92/92/74/257929274.db2.gz PGUNZPQJJBRSDB-GFCCVEGCSA-N 0 0 339.189 2.640 50 0 EFAARN COC(=O)c1c2c(sc1NC(=O)c1cnccn1)C[C@H](C)CC2 ZINC000000031818 258047563 /nfs/dbraw/zinc/04/75/63/258047563.db2.gz RNQYAAHKVJTRTR-SECBINFHSA-N 0 0 331.397 2.702 50 0 EFAARN CCOC(=O)c1c(I)c2ccccc2[nH]c1=O ZINC000299738198 257985833 /nfs/dbraw/zinc/98/58/33/257985833.db2.gz IULXXCFQGHVEGF-UHFFFAOYSA-N 0 0 343.120 2.722 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)C1(n2cnnn2)CCCCC1 ZINC000334160852 258016320 /nfs/dbraw/zinc/01/63/20/258016320.db2.gz NPWCYEUQWNUTMQ-UHFFFAOYSA-N 0 0 335.795 2.633 50 0 EFAARN O=C(NCC[C@@H]1CCCOC1)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000299771244 258083496 /nfs/dbraw/zinc/08/34/96/258083496.db2.gz UTCGZSGZRALRPZ-LBPRGKRZSA-N 0 0 349.822 2.859 50 0 EFAARN CC(C)c1nnc([C@@H](C)NC(=O)CCc2nc3ccccc3[nH]2)o1 ZINC000299771116 258083782 /nfs/dbraw/zinc/08/37/82/258083782.db2.gz ZVBGHWYYHLKPES-LLVKDONJSA-N 0 0 327.388 2.879 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1CCN(C2CCCC2)C(=O)C1 ZINC000299772079 258084170 /nfs/dbraw/zinc/08/41/70/258084170.db2.gz YVDCGOXQOCOALD-UHFFFAOYSA-N 0 0 336.819 2.576 50 0 EFAARN CCOc1cccc(NC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c1 ZINC000299772355 258084538 /nfs/dbraw/zinc/08/45/38/258084538.db2.gz ZKGGTLYKFGXAFW-KRWDZBQOSA-N 0 0 333.388 2.534 50 0 EFAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2c(C)oc3c2C(=O)CCC3)n1 ZINC000299772307 258084715 /nfs/dbraw/zinc/08/47/15/258084715.db2.gz XVNLSXFKLXSZST-NSHDSACASA-N 0 0 329.400 2.739 50 0 EFAARN Cc1ccc([C@]2(C(=O)NCCSc3nncn3C)CC2(C)C)cc1 ZINC000299772502 258084778 /nfs/dbraw/zinc/08/47/78/258084778.db2.gz ABXVUCYIHBRAQD-SFHVURJKSA-N 0 0 344.484 2.700 50 0 EFAARN COc1ccc(OC[C@H]2CCCN(C(=O)Nc3cnn(C)c3)C2)cc1 ZINC000299772590 258084883 /nfs/dbraw/zinc/08/48/83/258084883.db2.gz CQLXPOFSTIZXMT-AWEZNQCLSA-N 0 0 344.415 2.752 50 0 EFAARN O=C(NCC[C@H]1CCOC1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000299773051 258085075 /nfs/dbraw/zinc/08/50/75/258085075.db2.gz CMZYSISXDMWURH-LBPRGKRZSA-N 0 0 327.384 2.770 50 0 EFAARN CC(C)n1cc(NC(=O)N(C)Cc2cc(-c3cccnc3)no2)nn1 ZINC000299773400 258085405 /nfs/dbraw/zinc/08/54/05/258085405.db2.gz AAGIOLWOFBDBMU-UHFFFAOYSA-N 0 0 341.375 2.573 50 0 EFAARN CC(C)c1cc(CN(C)C(=O)[C@H](Cc2c[nH]cn2)n2cccc2)on1 ZINC000299773129 258085487 /nfs/dbraw/zinc/08/54/87/258085487.db2.gz AYFLNOLIRZSUKP-KRWDZBQOSA-N 0 0 341.415 2.765 50 0 EFAARN CC(C)C[C@H](NC(=O)c1ccc2c(c1)CCCO2)c1ncnn1C ZINC000299775126 258086010 /nfs/dbraw/zinc/08/60/10/258086010.db2.gz HHNDQNBCCMCARK-HNNXBMFYSA-N 0 0 328.416 2.657 50 0 EFAARN COc1ccc2c(c1)[C@H](NC(=O)Cc1c(C)n[nH]c1C)CC(C)(C)O2 ZINC000299775535 258086108 /nfs/dbraw/zinc/08/61/08/258086108.db2.gz GJHYAQVWVVQDHK-MRXNPFEDSA-N 0 0 343.427 2.996 50 0 EFAARN CN(C)c1ncnc2c1CCN(C(=O)c1scc3c1CCCC3)C2 ZINC000299776122 258086429 /nfs/dbraw/zinc/08/64/29/258086429.db2.gz KGHDIDXETKFICT-UHFFFAOYSA-N 0 0 342.468 2.681 50 0 EFAARN CC(=O)c1cc(CC(=O)NCCc2nc3c(s2)CCC3)cs1 ZINC000299775843 258086796 /nfs/dbraw/zinc/08/67/96/258086796.db2.gz LELGXMYGZYNFCX-UHFFFAOYSA-N 0 0 334.466 2.797 50 0 EFAARN CCSc1ccccc1NC(=O)N[C@H](C)c1nncn1CCOC ZINC000299777277 258087200 /nfs/dbraw/zinc/08/72/00/258087200.db2.gz DQBQNYFOGBDZOP-GFCCVEGCSA-N 0 0 349.460 2.919 50 0 EFAARN CCO[C@H]1COC[C@@H]1NC(=O)Nc1cc(C)nn1C1CCCCC1 ZINC000299777464 258087201 /nfs/dbraw/zinc/08/72/01/258087201.db2.gz MZDNUWUJITWEFA-GJZGRUSLSA-N 0 0 336.436 2.622 50 0 EFAARN CCCn1nccc1C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000299777292 258087368 /nfs/dbraw/zinc/08/73/68/258087368.db2.gz DJVOQIODXCLKDP-CQSZACIVSA-N 0 0 330.407 2.689 50 0 EFAARN CCc1nccn1CC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000299777871 258087610 /nfs/dbraw/zinc/08/76/10/258087610.db2.gz LVDAXQIBQLPJCA-MRXNPFEDSA-N 0 0 337.427 2.994 50 0 EFAARN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cnc(C)nc1 ZINC000299777847 258087757 /nfs/dbraw/zinc/08/77/57/258087757.db2.gz FPFYDIUHTOSNNC-HNNXBMFYSA-N 0 0 327.384 2.826 50 0 EFAARN CCc1nn(C)c(NC(=O)N[C@H](C)COc2ccccc2OC)c1C ZINC000299778613 258088190 /nfs/dbraw/zinc/08/81/90/258088190.db2.gz SEDXKFGEFWQEFJ-GFCCVEGCSA-N 0 0 346.431 2.889 50 0 EFAARN COc1cccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000299778927 258088471 /nfs/dbraw/zinc/08/84/71/258088471.db2.gz PENMQUMLBNMMDA-AWEZNQCLSA-N 0 0 330.428 2.525 50 0 EFAARN Cc1cccc(C)c1CN1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299779195 258088889 /nfs/dbraw/zinc/08/88/89/258088889.db2.gz UQMKDCXIUYFVHJ-UHFFFAOYSA-N 0 0 348.454 2.918 50 0 EFAARN Cc1c[nH]c(CN(C)C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)n1 ZINC000299780799 258089340 /nfs/dbraw/zinc/08/93/40/258089340.db2.gz BHVMURTUVHVBBA-ZDUSSCGKSA-N 0 0 341.415 2.897 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc4c3NCCC4)[C@H]2C1 ZINC000299780514 258089439 /nfs/dbraw/zinc/08/94/39/258089439.db2.gz NYLJOAYMTJBYST-RIFZZMRRSA-N 0 0 344.455 2.843 50 0 EFAARN Cc1noc([C@@H]2CCN(C(=O)COc3ccc(F)c(Cl)c3)C2)n1 ZINC000299780789 258089539 /nfs/dbraw/zinc/08/95/39/258089539.db2.gz CQQHNRVBBZYBRP-SNVBAGLBSA-N 0 0 339.754 2.565 50 0 EFAARN COc1ccc(CCNc2cc([C@H]3CCOC3)ncn2)c(OC)c1 ZINC000299781333 258090160 /nfs/dbraw/zinc/09/01/60/258090160.db2.gz LGEPOBLVFHVZJU-AWEZNQCLSA-N 0 0 329.400 2.652 50 0 EFAARN C[C@@H](NC(=O)CCc1csc(N)n1)c1nc2c(s1)CCCC2 ZINC000299781889 258090759 /nfs/dbraw/zinc/09/07/59/258090759.db2.gz DFVAKADOCWCMNW-SECBINFHSA-N 0 0 336.486 2.871 50 0 EFAARN O=C([O-])COc1ccc(-c2ncccn2)cc1C[NH+]1CCCCCC1 ZINC000299784167 258091906 /nfs/dbraw/zinc/09/19/06/258091906.db2.gz FYRMSXZAHINKHC-UHFFFAOYSA-N 0 0 341.411 2.983 50 0 EFAARN CC[C@@H](CO)N(Cc1cccnc1)C(=O)Nc1cccnc1Cl ZINC000299784070 258091975 /nfs/dbraw/zinc/09/19/75/258091975.db2.gz WLIDATHXEZNDHF-ZDUSSCGKSA-N 0 0 334.807 2.935 50 0 EFAARN CC(=O)c1c(C)nn([C@@H](C)CC(=O)N(C)Cc2nccs2)c1C ZINC000299785161 258092405 /nfs/dbraw/zinc/09/24/05/258092405.db2.gz JNTDSUHVBYDYAZ-JTQLQIEISA-N 0 0 334.445 2.769 50 0 EFAARN CC(=O)c1cc(CC(=O)NC[C@@H]2Cc3ccccc3CN2C)cs1 ZINC000299784736 258092509 /nfs/dbraw/zinc/09/25/09/258092509.db2.gz HZIKHPPVUDGFGB-KRWDZBQOSA-N 0 0 342.464 2.666 50 0 EFAARN CC(C)c1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2C)no1 ZINC000299786900 258093507 /nfs/dbraw/zinc/09/35/07/258093507.db2.gz OEEBJBZIEBNKMW-UHFFFAOYSA-N 0 0 330.310 2.823 50 0 EFAARN CO[C@]12CCN(C(=O)c3ccc[nH]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299787284 258093515 /nfs/dbraw/zinc/09/35/15/258093515.db2.gz SJYWQWWSAVWUTC-URLQWDBASA-N 0 0 341.411 2.641 50 0 EFAARN CC(C)c1nnc([C@H](C)NC(=O)CCc2cn3ccccc3n2)o1 ZINC000299787053 258093911 /nfs/dbraw/zinc/09/39/11/258093911.db2.gz SSOPXGJTCPVBJP-LBPRGKRZSA-N 0 0 327.388 2.651 50 0 EFAARN Cc1ccn2cc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)nc2c1 ZINC000299787738 258094479 /nfs/dbraw/zinc/09/44/79/258094479.db2.gz XNJTUMRXIGHBST-HNNXBMFYSA-N 0 0 341.411 2.525 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)C1 ZINC000299789019 258094991 /nfs/dbraw/zinc/09/49/91/258094991.db2.gz WFJYENOIPYLWLJ-CQSZACIVSA-N 0 0 349.406 2.636 50 0 EFAARN Cc1ccc(OC2CCN(C(=O)c3cnn4ccn(C)c34)CC2)cc1 ZINC000299788409 258095026 /nfs/dbraw/zinc/09/50/26/258095026.db2.gz RLZOOWMBWSAMKZ-UHFFFAOYSA-N 0 0 338.411 2.665 50 0 EFAARN Cc1n[nH]c(CCC(=O)NCC2(COc3ccccc3)CC2)c1C ZINC000299788804 258095212 /nfs/dbraw/zinc/09/52/12/258095212.db2.gz XQIKHRSLSGKHJA-UHFFFAOYSA-N 0 0 327.428 2.935 50 0 EFAARN Cc1c(NC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)cccc1N1CCCC1 ZINC000299789682 258095474 /nfs/dbraw/zinc/09/54/74/258095474.db2.gz ABCQUEOOHJMTMH-HWWDLCQESA-N 0 0 329.444 2.830 50 0 EFAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2cnns2)cc1 ZINC000299789912 258095525 /nfs/dbraw/zinc/09/55/25/258095525.db2.gz AKAXPUSNHHDEDA-CQSZACIVSA-N 0 0 348.428 2.760 50 0 EFAARN CN(CCc1noc(C2CC2)n1)C(=O)Nc1cccc2n[nH]cc21 ZINC000299789330 258095830 /nfs/dbraw/zinc/09/58/30/258095830.db2.gz ZOOBJATUPUHPFM-UHFFFAOYSA-N 0 0 326.360 2.530 50 0 EFAARN Cc1ncn(C)c1C(=O)N1CCC[C@H](COc2ccc(C)cc2)C1 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WJYOXIWEFBCWOW-UHFFFAOYSA-N 0 0 348.406 2.871 50 0 EFAARN COc1ccccc1C(=O)NC1=NCCCN1c1cccc(F)c1 ZINC000028536460 135741017 /nfs/dbraw/zinc/74/10/17/135741017.db2.gz LEAHNQXXCSNZMW-UHFFFAOYSA-N 0 0 327.359 2.830 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000000449446 285669633 /nfs/dbraw/zinc/66/96/33/285669633.db2.gz JCBXXFOOYAEMED-HNNXBMFYSA-N 0 0 334.441 2.830 50 0 EFAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OCC)cc1 ZINC000006758894 285670706 /nfs/dbraw/zinc/67/07/06/285670706.db2.gz MISDBENZKSIJKU-HNNXBMFYSA-N 0 0 328.372 2.529 50 0 EFAARN O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCCCC3)cc2[nH]1 ZINC000009879877 296525202 /nfs/dbraw/zinc/52/52/02/296525202.db2.gz VAHCDZFAGTZMPR-UHFFFAOYSA-N 0 0 337.445 2.638 50 0 EFAARN O=c1c2c(nc3n1C[C@@H](O)CS3)-c1ccccc1CC21CCCC1 ZINC000000242597 296528077 /nfs/dbraw/zinc/52/80/77/296528077.db2.gz YTNJEMYCYKTNFQ-CYBMUJFWSA-N 0 0 340.448 2.745 50 0 EFAARN Cc1ccc(F)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095507236 292121374 /nfs/dbraw/zinc/12/13/74/292121374.db2.gz PEHNSWIQTZKHGT-YLJYHZDGSA-N 0 0 341.382 2.745 50 0 EFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000012194377 292123373 /nfs/dbraw/zinc/12/33/73/292123373.db2.gz AHKHJAJYXQDHHR-KRWDZBQOSA-N 0 0 349.427 2.766 50 0 EFAARN CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(Cl)cc1 ZINC000004717311 285890302 /nfs/dbraw/zinc/89/03/02/285890302.db2.gz NYFAYZRICBASMY-VXGBXAGGSA-N 0 0 338.820 2.562 50 0 EFAARN CCOC(=O)[C@@]1(c2ccccc2)Nc2sc(C)c(C)c2C(=O)N1 ZINC000000034377 285900596 /nfs/dbraw/zinc/90/05/96/285900596.db2.gz VKSJAXMUMZXUCJ-QGZVFWFLSA-N 0 0 330.409 2.936 50 0 EFAARN CCOCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000095517849 286035579 /nfs/dbraw/zinc/03/55/79/286035579.db2.gz BHDBLGKXVLTXJG-LJQANCHMSA-N 0 0 338.492 2.690 50 0 EFAARN Cc1nnc(C2CCN(C(=O)c3ccc4nc(C)oc4c3)CC2)[nH]1 ZINC000373455156 151173798 /nfs/dbraw/zinc/17/37/98/151173798.db2.gz POUHKMODCKJAHU-UHFFFAOYSA-N 0 0 325.372 2.583 50 0 EFAARN COc1cc(OC)c([C@@H]2SCC(=O)Nc3c2cnn3C)cc1OC ZINC000049550226 286240467 /nfs/dbraw/zinc/24/04/67/286240467.db2.gz CEYAJIURMSYPDK-HNNXBMFYSA-N 0 0 349.412 2.870 50 0 EFAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1O ZINC000004387105 286248051 /nfs/dbraw/zinc/24/80/51/286248051.db2.gz IEUVYFKZTNCHJG-GFCCVEGCSA-N 0 0 337.331 2.683 50 0 EFAARN CC(C)C(=O)N1CCC(C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000374227273 151305099 /nfs/dbraw/zinc/30/50/99/151305099.db2.gz AHJJKSGJAGYIOT-SFHVURJKSA-N 0 0 344.455 2.561 50 0 EFAARN COc1ccc(C(=O)[O-])cc1C[N@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299774173 286290370 /nfs/dbraw/zinc/29/03/70/286290370.db2.gz DLKFWBCNZQKWFS-VDZJLULYSA-N 0 0 349.427 2.552 50 0 EFAARN COc1ccc(NCCN2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)cc1 ZINC000100648719 286336980 /nfs/dbraw/zinc/33/69/80/286336980.db2.gz YCJQSUFCUSANTO-LSDHHAIUSA-N 0 0 334.803 2.625 50 0 EFAARN COc1ccc(OC)c([C@@H]2CC(c3cccnc3)=Nc3ncnn32)c1 ZINC000002913980 286343537 /nfs/dbraw/zinc/34/35/37/286343537.db2.gz 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/nfs/dbraw/zinc/48/18/25/286481825.db2.gz RAQVRTVUOUZPGO-UHFFFAOYSA-N 0 0 343.379 2.690 50 0 EFAARN COc1cccc2c1OCCCN(C(=O)c1cn3ccsc3n1)C2 ZINC000065398633 286481849 /nfs/dbraw/zinc/48/18/49/286481849.db2.gz FWIFHXISAQGRHG-UHFFFAOYSA-N 0 0 343.408 2.829 50 0 EFAARN COCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002819078 292347844 /nfs/dbraw/zinc/34/78/44/292347844.db2.gz PMJGZIRWEARIMC-NTFDOXNWSA-N 0 0 347.414 2.915 50 0 EFAARN CSCCc1nc(-c2c[nH]c(=O)c(Cl)c2)n(C(C)(C)C)n1 ZINC000096153724 286674132 /nfs/dbraw/zinc/67/41/32/286674132.db2.gz QQUXZVMHUAINFN-UHFFFAOYSA-N 0 0 326.853 2.947 50 0 EFAARN C[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1 ZINC000001158682 287245062 /nfs/dbraw/zinc/24/50/62/287245062.db2.gz OGJYATUCDIRVEZ-BGFNQPPGSA-N 0 0 338.201 2.594 50 0 EFAARN Cc1cc(C)nc(N2CCN(C(=O)c3coc4ccccc34)CC2)n1 ZINC000157630080 224858154 /nfs/dbraw/zinc/85/81/54/224858154.db2.gz GYDKUZLDJMJTMZ-UHFFFAOYSA-N 0 0 336.395 2.802 50 0 EFAARN O=c1c2c(CO)c(-c3ccccc3)nn2ccn1CCc1ccccc1 ZINC000169755598 226561612 /nfs/dbraw/zinc/56/16/12/226561612.db2.gz BQDNMGFXZRSGKS-UHFFFAOYSA-N 0 0 345.402 2.898 50 0 EFAARN Cc1nc(N2CCC(NC(=O)C3CCC3)CC2)cc(C(F)(F)F)n1 ZINC000169772442 226568699 /nfs/dbraw/zinc/56/86/99/226568699.db2.gz IDBXTWZCHPAENJ-UHFFFAOYSA-N 0 0 342.365 2.689 50 0 EFAARN COc1ccc(C(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000001718558 544420318 /nfs/dbraw/zinc/42/03/18/544420318.db2.gz HNYFHAGCGVBMIG-UHFFFAOYSA-N 0 0 339.347 2.573 50 0 EFAARN O=c1cc(Cl)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 ZINC000044127072 544444541 /nfs/dbraw/zinc/44/45/41/544444541.db2.gz ZGFUMFKKWUKCHO-UHFFFAOYSA-N 0 0 326.783 2.760 50 0 EFAARN CC(=O)Oc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2 ZINC000009341090 262521165 /nfs/dbraw/zinc/52/11/65/262521165.db2.gz OHQKEFOENZHFAL-UHFFFAOYSA-N 0 0 336.800 2.519 50 0 EFAARN COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(Cl)cc1)CC2=O ZINC000012391124 274000835 /nfs/dbraw/zinc/00/08/35/274000835.db2.gz IHACQXGUDCEYSJ-JTQLQIEISA-N 0 0 331.755 2.728 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2F)c(OC)c1 ZINC000003394614 274106978 /nfs/dbraw/zinc/10/69/78/274106978.db2.gz YWTIILFIPBFBCM-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN COc1ccc(N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)cc1 ZINC000000083034 274113479 /nfs/dbraw/zinc/11/34/79/274113479.db2.gz XWCUTTXYTNWOSA-GOSISDBHSA-N 0 0 349.390 2.897 50 0 EFAARN Nc1ccnc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1 ZINC000067723479 274965379 /nfs/dbraw/zinc/96/53/79/274965379.db2.gz SFEQVTJVYJQGNQ-UHFFFAOYSA-N 0 0 329.310 2.555 50 0 EFAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)N4CCCCC4)c(=O)c32)C1 ZINC000000132352 287819733 /nfs/dbraw/zinc/81/97/33/287819733.db2.gz CZRJQBWNGFCCJR-GFCCVEGCSA-N 0 0 345.468 2.595 50 0 EFAARN Brc1ccc2oc3c(ncnc3N3CCOCC3)c2c1 ZINC000004301990 275373184 /nfs/dbraw/zinc/37/31/84/275373184.db2.gz CDAHFURQRFRMPD-UHFFFAOYSA-N 0 0 334.173 2.975 50 0 EFAARN CC(C)Cn1cc2c(c1-c1ccc(F)cc1)c(=O)n(C)c(=O)n2C ZINC000012322478 275604720 /nfs/dbraw/zinc/60/47/20/275604720.db2.gz MMZSSLFMWWVWJJ-UHFFFAOYSA-N 0 0 329.375 2.501 50 0 EFAARN CC1CCN(c2nc3ncc4c(c3c(=O)[nH]2)CC(C)(C)CC4=O)CC1 ZINC000019819853 275942741 /nfs/dbraw/zinc/94/27/41/275942741.db2.gz KJPJBJYZZBPBGM-UHFFFAOYSA-N 0 0 340.427 2.710 50 0 EFAARN CC(C)c1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)on1 ZINC000067920488 276044132 /nfs/dbraw/zinc/04/41/32/276044132.db2.gz YWOVKWNSABMJDR-HNNXBMFYSA-N 0 0 335.448 2.515 50 0 EFAARN CC1(C)COc2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O ZINC000009168733 276140436 /nfs/dbraw/zinc/14/04/36/276140436.db2.gz UODRSZRKSNJYQN-UHFFFAOYSA-N 0 0 346.408 2.845 50 0 EFAARN CC1(C)C[C@H](C(=O)N2CCC3(CC2)c2ccccc2NC3=O)CCO1 ZINC000072150062 276145054 /nfs/dbraw/zinc/14/50/54/276145054.db2.gz QKXCZWAEANYIIG-CQSZACIVSA-N 0 0 342.439 2.704 50 0 EFAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O ZINC000101264403 276146971 /nfs/dbraw/zinc/14/69/71/276146971.db2.gz CWROMPSYTREGNL-SOUVJXGZSA-N 0 0 328.393 2.615 50 0 EFAARN CCOC(=O)c1sc2ncnc(N3C[C@@H](C)O[C@H](C)C3)c2c1C ZINC000002886996 276306191 /nfs/dbraw/zinc/30/61/91/276306191.db2.gz VWOVDIPOGAPCJC-NXEZZACHSA-N 0 0 335.429 2.790 50 0 EFAARN CCOc1ccc(-n2c(=O)[nH]c3c4cccnc4sc3c2=O)cc1 ZINC000067349605 276371770 /nfs/dbraw/zinc/37/17/70/276371770.db2.gz PQNFHNUTQRAETH-UHFFFAOYSA-N 0 0 339.376 2.687 50 0 EFAARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000238950223 277020168 /nfs/dbraw/zinc/02/01/68/277020168.db2.gz XFNDAQQYMBQVPO-BZUAXINKSA-N 0 0 342.782 2.816 50 0 EFAARN CC(=O)N1N=C2[C@@H]([C@H]1c1ccc(Br)cc1)N1CCC2CC1 ZINC000020058926 277021177 /nfs/dbraw/zinc/02/11/77/277021177.db2.gz YHNOBRWBDPYSQK-CVEARBPZSA-N 0 0 348.244 2.803 50 0 EFAARN CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H](c2ccccc2)C1=O ZINC000095383329 277022672 /nfs/dbraw/zinc/02/26/72/277022672.db2.gz XDACEGAKKBHTNJ-QGZVFWFLSA-N 0 0 326.440 2.651 50 0 EFAARN COC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000012902028 277064098 /nfs/dbraw/zinc/06/40/98/277064098.db2.gz QPNUBUUAGHTCEW-UHFFFAOYSA-N 0 0 332.352 2.757 50 0 biogenic EFAARN CC(C)(C)OC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000016123841 277183608 /nfs/dbraw/zinc/18/36/08/277183608.db2.gz KRXIEAOYUVMROX-OAHLLOKOSA-N 0 0 334.416 2.755 50 0 EFAARN CN1CCc2c(sc3ncn4nc(-c5ccc(N)cc5)nc4c23)C1 ZINC000020565791 277187328 /nfs/dbraw/zinc/18/73/28/277187328.db2.gz LTSSMBUBQGQCNZ-UHFFFAOYSA-N 0 0 336.424 2.576 50 0 EFAARN COCCCN1C[C@]2(CCCN(c3cc(C)ccn3)C2)CCC1=O ZINC000077471494 277207971 /nfs/dbraw/zinc/20/79/71/277207971.db2.gz OGHCFAFHWOSNQH-LJQANCHMSA-N 0 0 331.460 2.636 50 0 EFAARN CC(C)(C)c1ccc(C(=O)NN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000101519167 277266833 /nfs/dbraw/zinc/26/68/33/277266833.db2.gz YOOOBKPDAXPTHR-HUUCEWRRSA-N 0 0 328.412 2.804 50 0 EFAARN COc1cc(F)c(CN2CCN(CC(C)C)C(=O)[C@@H]2C)cc1OC ZINC000077538593 277379473 /nfs/dbraw/zinc/37/94/73/277379473.db2.gz YTDNNMCVRMOSDE-ZDUSSCGKSA-N 0 0 338.423 2.532 50 0 EFAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC(C)C ZINC000072117509 277388905 /nfs/dbraw/zinc/38/89/05/277388905.db2.gz SSHYBULKNIHQEW-CYBMUJFWSA-N 0 0 329.400 2.998 50 0 EFAARN COc1ccc(C(=O)N[C@@H]2CCCc3sc(C)nc32)c(OC)n1 ZINC000222717149 277404133 /nfs/dbraw/zinc/40/41/33/277404133.db2.gz HJOLXGWZOORHOX-LLVKDONJSA-N 0 0 333.413 2.671 50 0 EFAARN COc1cccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)c1OC ZINC000065431082 277457053 /nfs/dbraw/zinc/45/70/53/277457053.db2.gz QGMZVEROWHJHTR-ZDUSSCGKSA-N 0 0 337.379 2.503 50 0 EFAARN CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cnsn2)C1 ZINC000011764957 277534409 /nfs/dbraw/zinc/53/44/09/277534409.db2.gz QJGNRHIJTSLNBY-NSHDSACASA-N 0 0 347.465 2.995 50 0 EFAARN COc1cc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)ccc1O ZINC000096223693 277838262 /nfs/dbraw/zinc/83/82/62/277838262.db2.gz NPEFUCWEXVNKIW-VIFPVBQESA-N 0 0 327.365 2.880 50 0 EFAARN COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C(C)(C)C ZINC000006701283 277922807 /nfs/dbraw/zinc/92/28/07/277922807.db2.gz NXAOYXIIJDWHAA-CHWSQXEVSA-N 0 0 341.473 2.791 50 0 EFAARN COc1ccc2c(c1)[C@@H](n1cc(-c3nccn3C)nn1)CC(C)(C)O2 ZINC000091593523 277985713 /nfs/dbraw/zinc/98/57/13/277985713.db2.gz WGMCFAGVWSLHIA-HNNXBMFYSA-N 0 0 339.399 2.838 50 0 EFAARN COc1cccc2[nH]c3c([nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)c21 ZINC000019957441 278022455 /nfs/dbraw/zinc/02/24/55/278022455.db2.gz NIUSZEXNNRSNPT-UHFFFAOYSA-N 0 0 341.754 2.822 50 0 EFAARN CC(=O)N1CCN2c3ccc(C(C)C)cc3C(=O)CCC[C@H]1C2=O ZINC000000287034 278044826 /nfs/dbraw/zinc/04/48/26/278044826.db2.gz PKDZTOKRURWZRV-KRWDZBQOSA-N 0 0 328.412 2.740 50 0 biogenic EFAARN COc1cn(CC(=O)Nc2nc3c(s2)CCCCC3)c(C)cc1=O ZINC000095477535 278071566 /nfs/dbraw/zinc/07/15/66/278071566.db2.gz DCTIPOVDOUVXRN-UHFFFAOYSA-N 0 0 347.440 2.529 50 0 EFAARN CC(=O)N1c2ccccc2[C@@]2(SCC(=O)N2c2ccccc2)C1=O ZINC000012364182 278077902 /nfs/dbraw/zinc/07/79/02/278077902.db2.gz CPIVMFIUJZIKRR-GOSISDBHSA-N 0 0 338.388 2.513 50 0 EFAARN CC(=O)NC(C1C(=O)CC(C)(C)CC1=O)(C(F)(F)F)C(F)(F)F ZINC000100229733 278078113 /nfs/dbraw/zinc/07/81/13/278078113.db2.gz TWFJXULBKAFDLF-UHFFFAOYSA-N 0 0 347.255 2.560 50 0 EFAARN COc1ncnc2c3c4c(c(N5CCOCC5)nc3sc21)CCC4 ZINC000020293008 278099526 /nfs/dbraw/zinc/09/95/26/278099526.db2.gz YJWGVJQCXAABDQ-UHFFFAOYSA-N 0 0 342.424 2.573 50 0 EFAARN CC(C)n1cnnc1C[N@@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095381221 278140926 /nfs/dbraw/zinc/14/09/26/278140926.db2.gz SSCQXJBZSNVFLF-MRXNPFEDSA-N 0 0 328.416 2.937 50 0 EFAARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000005902453 278142036 /nfs/dbraw/zinc/14/20/36/278142036.db2.gz OQNLGDZCDKFPFW-CQSZACIVSA-N 0 0 347.396 2.673 50 0 EFAARN CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@@H](C)C3 ZINC000002446825 278181536 /nfs/dbraw/zinc/18/15/36/278181536.db2.gz OUJFGYZHOLUMIF-SSDOTTSWSA-N 0 0 330.442 2.737 50 0 EFAARN CC(C)(C)C(=O)CN1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O ZINC000013624193 278284156 /nfs/dbraw/zinc/28/41/56/278284156.db2.gz XPNSVMQCYDKYFD-OAHLLOKOSA-N 0 0 328.412 2.643 50 0 EFAARN CC(C)(C)C1=NC(=O)C2(CCN(C(=O)C3CCCCCC3)CC2)N1 ZINC000055282794 278299483 /nfs/dbraw/zinc/29/94/83/278299483.db2.gz RTAOYHFEKKGIJL-UHFFFAOYSA-N 0 0 333.476 2.892 50 0 EFAARN Cc1ccc([C@@H]2[C@@H](C(=O)Nc3nccs3)CCC(=O)N2C)cc1 ZINC000072238250 278852803 /nfs/dbraw/zinc/85/28/03/278852803.db2.gz LSGGWWDREIFYGM-DZGCQCFKSA-N 0 0 329.425 3.000 50 0 EFAARN Cc1ccc2occ([C@H]3CC(=O)Oc4cc(C)[nH]c(=O)c43)c(=O)c2c1 ZINC000085879144 278907937 /nfs/dbraw/zinc/90/79/37/278907937.db2.gz OVYGXHNLGVJWIY-LLVKDONJSA-N 0 0 337.331 2.539 50 0 biogenic EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1csc(Br)c1)C2 ZINC000097198368 279001606 /nfs/dbraw/zinc/00/16/06/279001606.db2.gz UBRNZJNGUBSACJ-SNVBAGLBSA-N 0 0 340.246 2.760 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1nc(-c3ccccc3)oc1C)C2 ZINC000097198105 279002264 /nfs/dbraw/zinc/00/22/64/279002264.db2.gz CUIPHPJJMCDVBP-HNNXBMFYSA-N 0 0 336.395 2.900 50 0 EFAARN C[C@@H]1Nc2ncnn2[C@H](c2cccs2)[C@H]1C(=O)Nc1ccccc1 ZINC000247941957 279038469 /nfs/dbraw/zinc/03/84/69/279038469.db2.gz GSRTUIYGCDJEQG-TUKIKUTGSA-N 0 0 339.424 2.998 50 0 EFAARN Cc1csc(NC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)n1 ZINC000013806769 279043462 /nfs/dbraw/zinc/04/34/62/279043462.db2.gz ZBLXGMVJNYBHLW-UHFFFAOYSA-N 0 0 340.408 2.622 50 0 EFAARN Cc1nc(-c2ccc(-c3nc4c([nH]3)C(=O)NCC(C)(C)C4)cc2)no1 ZINC000067851056 279061860 /nfs/dbraw/zinc/06/18/60/279061860.db2.gz GJTLREDMWPZTPX-UHFFFAOYSA-N 0 0 337.383 2.747 50 0 EFAARN Cc1nc2sc3c(ncnc3NCCO)c2c2c1COC(C)(C)C2 ZINC000002296220 279146785 /nfs/dbraw/zinc/14/67/85/279146785.db2.gz YNIGWMRHHXMTSM-UHFFFAOYSA-N 0 0 344.440 2.803 50 0 EFAARN Cc1nccc(C2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)n1 ZINC000219097631 279163228 /nfs/dbraw/zinc/16/32/28/279163228.db2.gz UOEYMNJYGUIXGB-LJQANCHMSA-N 0 0 337.423 2.885 50 0 EFAARN CCN(CC)c1ccc([C@@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)cc1 ZINC000020086547 279170141 /nfs/dbraw/zinc/17/01/41/279170141.db2.gz QYNQHXBFSOGKAD-MRXNPFEDSA-N 0 0 338.411 2.933 50 0 EFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)OCc1ccccc1)C(=O)N2 ZINC000000386023 279180414 /nfs/dbraw/zinc/18/04/14/279180414.db2.gz YHYHVZQHVCYBSF-KNBMTAEXSA-N 0 0 337.375 2.758 50 0 EFAARN Cc1nn2c(nnc3c2ccn(C2CC2)c3=O)c1-c1ccc(F)cc1 ZINC000040391907 279218267 /nfs/dbraw/zinc/21/82/67/279218267.db2.gz IEHWWMCNCKZEKG-UHFFFAOYSA-N 0 0 335.342 2.889 50 0 EFAARN Clc1nc2c(cnn2C2CCC3(CC2)OCCO3)c(Cl)n1 ZINC000077024157 279298813 /nfs/dbraw/zinc/29/88/13/279298813.db2.gz NBPHZZVDIJRLQC-UHFFFAOYSA-N 0 0 329.187 2.991 50 0 EFAARN Cn1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C ZINC000004502943 279351817 /nfs/dbraw/zinc/35/18/17/279351817.db2.gz DBYGNHUBIFYLHX-UHFFFAOYSA-N 0 0 338.194 2.550 50 0 EFAARN Cn1nc(C(F)(F)F)cc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000002764143 279397797 /nfs/dbraw/zinc/39/77/97/279397797.db2.gz MPHJFQWIWJSLQS-UHFFFAOYSA-N 0 0 327.350 2.993 50 0 EFAARN Fc1ccccc1[C@@H]1C[C@H](c2ccc3c(c2)OCO3)Nc2nnnn21 ZINC000006758920 279472517 /nfs/dbraw/zinc/47/25/17/279472517.db2.gz NULYBLLDWAARJJ-KGLIPLIRSA-N 0 0 339.330 2.687 50 0 EFAARN CC(C)[NH+]1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000095500003 279479306 /nfs/dbraw/zinc/47/93/06/279479306.db2.gz OVAVTGVVKYRSQY-OAHLLOKOSA-N 0 0 338.835 2.702 50 0 EFAARN CCOC(=O)C1=C(C)N(C)C(=S)N(C(C)=O)[C@@H]1c1ccccc1 ZINC000002145138 279530034 /nfs/dbraw/zinc/53/00/34/279530034.db2.gz OLVLGAXDYIKAHM-OAHLLOKOSA-N 0 0 332.425 2.644 50 0 EFAARN O=C(COc1ccccc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000350758 279786478 /nfs/dbraw/zinc/78/64/78/279786478.db2.gz FCAOAUIDNHIKDJ-WFASDCNBSA-N 0 0 342.317 2.705 50 0 EFAARN CCOc1c(OC)cccc1-c1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000065528568 279942629 /nfs/dbraw/zinc/94/26/29/279942629.db2.gz VUICYHNQGWBQQL-UHFFFAOYSA-N 0 0 329.400 2.796 50 0 EFAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)[C@H]1CCCO1 ZINC000079477117 280023588 /nfs/dbraw/zinc/02/35/88/280023588.db2.gz LQVKAKQHFCXDDW-CQSZACIVSA-N 0 0 325.324 2.941 50 0 EFAARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)[C@@H]1COc2ccccc2O1 ZINC000004275984 280066887 /nfs/dbraw/zinc/06/68/87/280066887.db2.gz HMCCVJZMBPEUAV-AWEZNQCLSA-N 0 0 341.298 2.654 50 0 EFAARN O=C([O-])c1ccccc1C[NH+]1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072169961 280072878 /nfs/dbraw/zinc/07/28/78/280072878.db2.gz PPFJMXSJIPYWEK-IBGZPJMESA-N 0 0 337.419 2.836 50 0 EFAARN O=C(c1ccc[nH]1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000216065995 280205132 /nfs/dbraw/zinc/20/51/32/280205132.db2.gz TYCPDUSOAIKIPL-UHFFFAOYSA-N 0 0 336.395 2.628 50 0 EFAARN O=C(c1ccccn1)N1CCC[C@@](CO)(CCOc2ccccc2)C1 ZINC000020992697 280214302 /nfs/dbraw/zinc/21/43/02/280214302.db2.gz SPGOHJPOAOKXMW-HXUWFJFHSA-N 0 0 340.423 2.765 50 0 EFAARN O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@@]2(CCOC2)C1 ZINC000095360461 280240940 /nfs/dbraw/zinc/24/09/40/280240940.db2.gz MODXYPNKXCQNJU-MRXNPFEDSA-N 0 0 337.782 2.770 50 0 EFAARN O=C1[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000101191582 280315728 /nfs/dbraw/zinc/31/57/28/280315728.db2.gz USNDXTUOUFUALX-HIFRSBDPSA-N 0 0 344.729 2.772 50 0 EFAARN Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000003449256 280856325 /nfs/dbraw/zinc/85/63/25/280856325.db2.gz CQLPIYHNDFGMKP-UHFFFAOYSA-N 0 0 342.779 2.687 50 0 EFAARN Cc1ccc(N2C(=O)[C@H](C)[C@H]3c4ccccc4OC(=O)[C@@H]3C2=O)cc1 ZINC000004615915 280861236 /nfs/dbraw/zinc/86/12/36/280861236.db2.gz PCYCSVVOWKARFX-DQYPLSBCSA-N 0 0 335.359 2.823 50 0 EFAARN CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccccc1OC(F)(F)F ZINC000101720854 281399118 /nfs/dbraw/zinc/39/91/18/281399118.db2.gz NTGRWAIXCHLAFX-SECBINFHSA-N 0 0 341.285 2.778 50 0 EFAARN CC1=Nc2ncnn2[C@@H](c2ccncc2)C1C(=O)OC1CCCCC1 ZINC000018037576 281657535 /nfs/dbraw/zinc/65/75/35/281657535.db2.gz BUEFDUKUSDJWLX-INIZCTEOSA-N 0 0 339.399 2.838 50 0 EFAARN Cc1nc2c(c(N3CCC[C@H](O)CC3)n1)Cc1ccccc1OC2 ZINC000095523830 282010043 /nfs/dbraw/zinc/01/00/43/282010043.db2.gz OVNPGBHDJQTPDI-HNNXBMFYSA-N 0 0 325.412 2.619 50 0 EFAARN Cc1nc2ccc(NC(=O)c3c(C)oc4nc[nH]c(=O)c43)cc2s1 ZINC000007738435 282070284 /nfs/dbraw/zinc/07/02/84/282070284.db2.gz PCSLGDDNUJNLHU-UHFFFAOYSA-N 0 0 340.364 2.995 50 0 EFAARN CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(C)on2)cn1 ZINC000012187796 288699200 /nfs/dbraw/zinc/69/92/00/288699200.db2.gz GDGJOQQUAAVHNK-OAHLLOKOSA-N 0 0 338.433 2.505 50 0 EFAARN CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)O1 ZINC000000051828 289062296 /nfs/dbraw/zinc/06/22/96/289062296.db2.gz MEGFKTRAAMPPEW-UHFFFAOYSA-N 0 0 329.200 2.795 50 0 EFAARN C[C@@]1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C(=O)O1 ZINC000009341710 289151289 /nfs/dbraw/zinc/15/12/89/289151289.db2.gz MCATUPPVRUPLAB-IBGZPJMESA-N 0 0 333.347 2.740 50 0 EFAARN C[C@@]1(O)N(CCc2c[nH]cn2)C(=O)O[C@@]1(C)CCc1ccccc1 ZINC000004626200 289214507 /nfs/dbraw/zinc/21/45/07/289214507.db2.gz HEVYMFXTILKURB-ROUUACIJSA-N 0 0 329.400 2.504 50 0 EFAARN CN(C)[C@H]1CS(=O)(=O)[C@]12CC1c3ccccc3C2c2ccccc21 ZINC000031716344 289395302 /nfs/dbraw/zinc/39/53/02/289395302.db2.gz DHIQQBILTIUGMZ-ZUPWUQBJSA-N 0 0 339.460 2.765 50 0 EFAARN Cc1ccncc1C(=O)N1CCC2(CC(=O)N(CC(C)C)C2)CC1 ZINC000091468326 292800596 /nfs/dbraw/zinc/80/05/96/292800596.db2.gz NKGXOTDMNVTTPY-UHFFFAOYSA-N 0 0 329.444 2.501 50 0 EFAARN CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000379655 290421837 /nfs/dbraw/zinc/42/18/37/290421837.db2.gz ULBSXWRUFSWABX-UHFFFAOYSA-N 0 0 346.452 2.553 50 0 EFAARN Cc1nc(N(C)C)ncc1C(=O)N1CCc2ccc(F)cc2[C@H]1C ZINC000097815454 293289855 /nfs/dbraw/zinc/28/98/55/293289855.db2.gz OFDZTUNXRKVDHT-GFCCVEGCSA-N 0 0 328.391 2.750 50 0 EFAARN Cc1ncc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(=O)[nH]1 ZINC000077376684 293586916 /nfs/dbraw/zinc/58/69/16/293586916.db2.gz ANPIGIMMJCTZCV-MRXNPFEDSA-N 0 0 329.375 2.514 50 0 EFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccc(F)c1)CC(=O)N2 ZINC000031819903 293682106 /nfs/dbraw/zinc/68/21/06/293682106.db2.gz RPNGFHFKRXBZTP-LBPRGKRZSA-N 0 0 339.330 2.939 50 0 EFAARN CO[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](O)[C@]4(C)C(=O)C[C@H](O)[C@@H]4[C@H]3CC[C@H]2C1 ZINC000257345879 293801749 /nfs/dbraw/zinc/80/17/49/293801749.db2.gz MDAYVZVRLGMYGH-JMERRXBESA-N 0 0 336.472 2.555 50 0 EFAARN Cn1nnc2cc([C@H]3CC(=O)Nc4n[nH]c(-c5ccccc5)c43)ccc21 ZINC000065396579 294646068 /nfs/dbraw/zinc/64/60/68/294646068.db2.gz GETRVJSTJJOTRW-CYBMUJFWSA-N 0 0 344.378 2.833 50 0 EFAARN N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)cc(Cl)c1 ZINC000009356820 295024265 /nfs/dbraw/zinc/02/42/65/295024265.db2.gz ACZKYVDFVNJHJR-NXEZZACHSA-N 0 0 337.253 2.647 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000005516123 295024705 /nfs/dbraw/zinc/02/47/05/295024705.db2.gz PFPNOHMHJYKCBE-BDAKNGLRSA-N 0 0 337.253 2.647 50 0 EFAARN COc1ccc(N(C(=O)c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000001191965 295153066 /nfs/dbraw/zinc/15/30/66/295153066.db2.gz CYHNLOIJPATEPS-MRXNPFEDSA-N 0 0 343.404 2.653 50 0 EFAARN COc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)cc1 ZINC000000482121 295155704 /nfs/dbraw/zinc/15/57/04/295155704.db2.gz XSQSECQRRRCUPN-BBATYDOGSA-N 0 0 340.404 2.969 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000015836460 295177477 /nfs/dbraw/zinc/17/74/77/295177477.db2.gz BRZVNHVBXRCCJO-CYBMUJFWSA-N 0 0 337.397 2.823 50 0 EFAARN COc1ccc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)c(OC)c1OC ZINC000015834620 295229412 /nfs/dbraw/zinc/22/94/12/295229412.db2.gz UBWRWFCQGWGEIG-HNNXBMFYSA-N 0 0 349.412 2.519 50 0 EFAARN COc1ccc([C@H]2CC(=O)Nc3ccccc3S2(=O)=O)cc1OC ZINC000004142982 295247201 /nfs/dbraw/zinc/24/72/01/295247201.db2.gz WALAWYGJYJBBGB-MRXNPFEDSA-N 0 0 347.392 2.561 50 0 EFAARN COc1cccc(S(=O)(=O)N2CCCC[C@@H]2CCn2cccn2)c1 ZINC000077380306 295311925 /nfs/dbraw/zinc/31/19/25/295311925.db2.gz LPHTUWIPFPFRCZ-OAHLLOKOSA-N 0 0 349.456 2.525 50 0 EFAARN COc1cccc([C@@H]2CCN2C(=O)c2c(C)cc(C)n(C)c2=O)c1 ZINC000216315574 295316038 /nfs/dbraw/zinc/31/60/38/295316038.db2.gz UEEOCFSGZBKKJS-INIZCTEOSA-N 0 0 326.396 2.598 50 0 EFAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SC)n2C ZINC000009329670 295386289 /nfs/dbraw/zinc/38/62/89/295386289.db2.gz CPTTZZYZHVBIQM-JTQLQIEISA-N 0 0 331.397 2.634 50 0 EFAARN COc1ccccc1[C@@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000004722650 295396580 /nfs/dbraw/zinc/39/65/80/295396580.db2.gz SPMDNQYVDNXNDI-HNNXBMFYSA-N 0 0 334.169 2.646 50 0 EFAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)C1 ZINC000012417543 297357861 /nfs/dbraw/zinc/35/78/61/297357861.db2.gz RZFAQGIEMSXELB-UMPJEAMMSA-N 0 0 327.490 2.690 50 0 EFAARN C[C@H](C(=O)Nc1ccccc1F)N(c1ccccc1)S(C)(=O)=O ZINC000000080159 298196227 /nfs/dbraw/zinc/19/62/27/298196227.db2.gz KWDWLDLPDOSPCZ-GFCCVEGCSA-N 0 0 336.388 2.619 50 0 EFAARN Cc1cc([C@H]2CCCCN2C(=O)CCc2c(C)nc(=O)[nH]c2C)no1 ZINC000223380762 301421637 /nfs/dbraw/zinc/42/16/37/301421637.db2.gz MKLJOOBTFNVDSX-MRXNPFEDSA-N 0 0 344.415 2.782 50 0 EFAARN Cc1cc2c(c(Br)c1)NC(=O)[C@@]2(O)N1CCC(C)CC1 ZINC000002470363 301436063 /nfs/dbraw/zinc/43/60/63/301436063.db2.gz PHWDOCXACFSXRZ-OAHLLOKOSA-N 0 0 339.233 2.587 50 0 EFAARN Cc1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)C(C)(C)C=C2C ZINC000000069187 301888006 /nfs/dbraw/zinc/88/80/06/301888006.db2.gz BEAJBCWDQHKPET-UHFFFAOYSA-N 0 0 326.396 2.673 50 0 EFAARN Cc1cccc(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)c1 ZINC000065364509 301997245 /nfs/dbraw/zinc/99/72/45/301997245.db2.gz SQQOWODFSGDJGK-OAHLLOKOSA-N 0 0 338.473 2.552 50 0 EFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccccc1)CC(=O)N2 ZINC000071280694 302806295 /nfs/dbraw/zinc/80/62/95/302806295.db2.gz GBZUFGMGOCBWDE-KGLIPLIRSA-N 0 0 345.424 2.675 50 0 EFAARN COCc1noc([C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)n1 ZINC000351053438 311846850 /nfs/dbraw/zinc/84/68/50/311846850.db2.gz OQNYUTVGYLTKGH-CYBMUJFWSA-N 0 0 325.372 2.513 50 0 EFAARN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CCCC1 ZINC000004678979 440923911 /nfs/dbraw/zinc/92/39/11/440923911.db2.gz GRMOFDFLGMDEGG-UHFFFAOYSA-N 0 0 344.390 2.567 50 0 EFAARN COc1ccc(/C=C/C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1 ZINC000018042692 441246990 /nfs/dbraw/zinc/24/69/90/441246990.db2.gz RXLGAYPRAKOXRT-FMIVXFBMSA-N 0 0 335.367 2.510 50 0 biogenic EFAARN O=C(Nc1nc2ccccc2s1)[C@H](c1ccccc1)n1cnnn1 ZINC000036595035 441607475 /nfs/dbraw/zinc/60/74/75/441607475.db2.gz SREUWYDVBGEBMG-AWEZNQCLSA-N 0 0 336.380 2.511 50 0 EFAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCc2c[nH]nc2C1 ZINC000531819824 317317915 /nfs/dbraw/zinc/31/79/15/317317915.db2.gz CANZJXZMCJBCPA-AWEZNQCLSA-N 0 0 338.436 2.749 50 0 EFAARN O=C(c1ccno1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000070637082 472500495 /nfs/dbraw/zinc/50/04/95/472500495.db2.gz QESAAQNGDAJKNZ-UHFFFAOYSA-N 0 0 330.731 2.618 50 0 EFAARN CCOc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)cc1 ZINC000071376067 472549369 /nfs/dbraw/zinc/54/93/69/472549369.db2.gz WNQJFSVZUXXUSE-NSHDSACASA-N 0 0 340.379 2.791 50 0 EFAARN COc1ccc(CSc2nc3ccccc3c(=O)n2N)cc1F ZINC000071327706 472549389 /nfs/dbraw/zinc/54/93/89/472549389.db2.gz HNIYWAQJMPDBDY-UHFFFAOYSA-N 0 0 331.372 2.550 50 0 EFAARN Cc1ccsc1[C@H](O)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000070635807 472499932 /nfs/dbraw/zinc/49/99/32/472499932.db2.gz YOAGFYQDZLUBBP-OAHLLOKOSA-N 0 0 346.452 2.968 50 0 EFAARN COc1ccc(OCCS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000070637779 472500297 /nfs/dbraw/zinc/50/02/97/472500297.db2.gz SXYMJCUWAYJGRL-UHFFFAOYSA-N 0 0 349.408 2.719 50 0 EFAARN O=C(COC(=O)Cc1ccsc1)NCc1ccc(F)c(Cl)c1 ZINC000095471789 473210800 /nfs/dbraw/zinc/21/08/00/473210800.db2.gz CIIKFTFJOXWMNW-UHFFFAOYSA-N 0 0 341.791 2.943 50 0 EFAARN Cc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(CCc2ccccc2)n1 ZINC000095473620 473211392 /nfs/dbraw/zinc/21/13/92/473211392.db2.gz ZPEMIYYNTXHCHL-UHFFFAOYSA-N 0 0 338.415 2.501 50 0 EFAARN Cc1nnnn1-c1ccccc1C(=O)Nc1cccc2c1ccn2C ZINC000095476992 473211696 /nfs/dbraw/zinc/21/16/96/473211696.db2.gz RAUNWZHTTJLPNC-UHFFFAOYSA-N 0 0 332.367 2.715 50 0 EFAARN COc1ccccc1-c1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)[nH]n1 ZINC000095475879 473211991 /nfs/dbraw/zinc/21/19/91/473211991.db2.gz YVFNXFUHSDFQDM-GFCCVEGCSA-N 0 0 329.400 2.773 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CCNC(=O)c1ccc2[nH]ccc2c1 ZINC000095477708 473212387 /nfs/dbraw/zinc/21/23/87/473212387.db2.gz BDGUBCJFPNHXLO-UHFFFAOYSA-N 0 0 346.390 2.616 50 0 EFAARN Cc1cc(C)nc(Nc2ccc(C(=O)NCC3CCOCC3)cc2)n1 ZINC000095479507 473212670 /nfs/dbraw/zinc/21/26/70/473212670.db2.gz PTZUBFKSBOFTRK-UHFFFAOYSA-N 0 0 340.427 2.993 50 0 EFAARN O=C(Cn1ccc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000095480559 473212678 /nfs/dbraw/zinc/21/26/78/473212678.db2.gz JFSSRXWXMNUABS-DNVCBOLYSA-N 0 0 330.403 2.934 50 0 EFAARN O=C(Cn1ccc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000095480561 473212915 /nfs/dbraw/zinc/21/29/15/473212915.db2.gz JFSSRXWXMNUABS-HNAYVOBHSA-N 0 0 330.403 2.934 50 0 EFAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000095480748 473212924 /nfs/dbraw/zinc/21/29/24/473212924.db2.gz ZXPPFHMRKBPJSV-UHFFFAOYSA-N 0 0 330.417 2.811 50 0 EFAARN Cn1c(CNC(=O)CCc2ccc3c(c2)CCO3)nc2ccccc21 ZINC000095479664 473212998 /nfs/dbraw/zinc/21/29/98/473212998.db2.gz MUBWCEKYCYLZSC-UHFFFAOYSA-N 0 0 335.407 2.757 50 0 EFAARN Cc1nn(C)c2nc(N3CCC([C@H](O)c4ccccn4)CC3)sc12 ZINC000095496989 473213061 /nfs/dbraw/zinc/21/30/61/473213061.db2.gz UEDJWNDOVATQQU-AWEZNQCLSA-N 0 0 343.456 2.683 50 0 EFAARN CC(C)(C)OC(=O)N1CCN(c2ccc3ncccc3c2N)CC1 ZINC000095494825 473213924 /nfs/dbraw/zinc/21/39/24/473213924.db2.gz QWGFXNRELFUQST-UHFFFAOYSA-N 0 0 328.416 2.874 50 0 EFAARN OCc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)c1 ZINC000095496772 473213933 /nfs/dbraw/zinc/21/39/33/473213933.db2.gz UDGQCDRDUDFFAF-UHFFFAOYSA-N 0 0 349.438 2.598 50 0 EFAARN CCc1nn(C)c(NC(=O)N[C@H](CC(C)C)c2ncnn2C)c1CC ZINC000095498556 473213994 /nfs/dbraw/zinc/21/39/94/473213994.db2.gz GIDUJHQXFDJROJ-CQSZACIVSA-N 0 0 347.467 2.582 50 0 EFAARN CN(CCCc1nccn1C)c1ncnc2c1Cc1ccccc1OC2 ZINC000095501798 473214637 /nfs/dbraw/zinc/21/46/37/473214637.db2.gz DRYAMCGUOPGPLM-UHFFFAOYSA-N 0 0 349.438 2.762 50 0 EFAARN CN1C[C@]2(CCCN(C(=O)Nc3cccc4c3CCC4)C2)OC1=O ZINC000095500135 473214650 /nfs/dbraw/zinc/21/46/50/473214650.db2.gz LIYADFDYRWWQIW-SFHVURJKSA-N 0 0 329.400 2.624 50 0 EFAARN CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@H]1COc2ccccc2C1 ZINC000095503104 473214930 /nfs/dbraw/zinc/21/49/30/473214930.db2.gz BWOXMSBUQJKBJZ-MRXNPFEDSA-N 0 0 349.390 2.946 50 0 EFAARN COc1ccc(OC[C@H]2CCCN(c3nc(CO)cs3)C2)cc1 ZINC000095502697 473214975 /nfs/dbraw/zinc/21/49/75/473214975.db2.gz 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/nfs/dbraw/zinc/21/68/61/473216861.db2.gz HEBWJCAHOXSJHU-UHFFFAOYSA-N 0 0 335.411 2.674 50 0 EFAARN CC(=O)N1CCC[C@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc32)C1 ZINC000095508594 473216899 /nfs/dbraw/zinc/21/68/99/473216899.db2.gz LVLLVKMBLGEPLL-INIZCTEOSA-N 0 0 339.439 2.901 50 0 EFAARN O=C(NCCN1CCCc2ccccc21)[C@@H]1COc2ccccc2C1 ZINC000095509024 473216904 /nfs/dbraw/zinc/21/69/04/473216904.db2.gz VYQRVCBDUZBQKM-SFHVURJKSA-N 0 0 336.435 2.807 50 0 EFAARN Cc1nc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cs1 ZINC000095508158 473217106 /nfs/dbraw/zinc/21/71/06/473217106.db2.gz IPIDNABUHNLZEN-SWLSCSKDSA-N 0 0 348.497 2.531 50 0 EFAARN CSc1cccc(NC(=O)NCCS(=O)(=O)CC(C)C)c1 ZINC000095517655 473217560 /nfs/dbraw/zinc/21/75/60/473217560.db2.gz SNSAXWPBUYGALZ-UHFFFAOYSA-N 0 0 330.475 2.601 50 0 EFAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)CCn2nccc2C)C1 ZINC000095516849 473217705 /nfs/dbraw/zinc/21/77/05/473217705.db2.gz QOLOAMVZCJWHBA-KRWDZBQOSA-N 0 0 343.475 2.984 50 0 EFAARN Cc1cc(C)n(CC2(CNC(=O)[C@H]3COc4ccccc4C3)CC2)n1 ZINC000095512548 473217737 /nfs/dbraw/zinc/21/77/37/473217737.db2.gz BGMFDQBQMCEQQK-QGZVFWFLSA-N 0 0 339.439 2.648 50 0 EFAARN CCCc1nc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)CC)C2)s1 ZINC000095512038 473217765 /nfs/dbraw/zinc/21/77/65/473217765.db2.gz PFACKOQVOHFYHS-CYBMUJFWSA-N 0 0 337.489 2.669 50 0 EFAARN CC[C@@H]1C(=O)NCCN1C(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000095520094 473218517 /nfs/dbraw/zinc/21/85/17/473218517.db2.gz BRTKAGVHEXUSOM-MRXNPFEDSA-N 0 0 325.412 2.511 50 0 EFAARN O=C(NCCN1CCOCC1)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000095521228 473218594 /nfs/dbraw/zinc/21/85/94/473218594.db2.gz KVOXOBLVQCBIRJ-UHFFFAOYSA-N 0 0 343.402 2.946 50 0 EFAARN Cc1nn(C)c2nc(N3CCC[C@@H](C(=O)c4ccccn4)C3)sc12 ZINC000095519591 473218652 /nfs/dbraw/zinc/21/86/52/473218652.db2.gz FLGWRUIAPONHPS-GFCCVEGCSA-N 0 0 341.440 2.833 50 0 EFAARN COCCc1nc2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2o1 ZINC000095522194 473218893 /nfs/dbraw/zinc/21/88/93/473218893.db2.gz DNEXLPDRVVXIJO-OAHLLOKOSA-N 0 0 338.363 2.880 50 0 EFAARN Cc1nccn1CC1(CNC(=O)[C@H](C)n2ccnc2C(C)C)CC1 ZINC000095518216 473218907 /nfs/dbraw/zinc/21/89/07/473218907.db2.gz KQPVQAAYMHPVQI-AWEZNQCLSA-N 0 0 329.448 2.669 50 0 EFAARN COc1ccccc1N1CCN(c2nc3c(s2)c(C)nn3C)CC1 ZINC000095524521 473219799 /nfs/dbraw/zinc/21/97/99/473219799.db2.gz OPPZITXRVBTJRB-UHFFFAOYSA-N 0 0 343.456 2.673 50 0 EFAARN CCN(C(=O)Cn1c(=O)ccc2ccccc21)[C@@H]1CCOC(C)(C)C1 ZINC000095524317 473220206 /nfs/dbraw/zinc/22/02/06/473220206.db2.gz QKFROVWBKKHYQY-MRXNPFEDSA-N 0 0 342.439 2.808 50 0 EFAARN CCC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1NC(C)=O ZINC000095524537 473220282 /nfs/dbraw/zinc/22/02/82/473220282.db2.gz TVMITUMMHSNDFO-SJLPKXTDSA-N 0 0 325.412 2.612 50 0 EFAARN Cc1cc(N2CCC[C@@H](c3nccn3CC(N)=O)C2)nc2ccccc12 ZINC000095525528 473220409 /nfs/dbraw/zinc/22/04/09/473220409.db2.gz PLMDMHZDWRLSEN-OAHLLOKOSA-N 0 0 349.438 2.609 50 0 EFAARN Cc1cc(N2CCC[C@H](c3nccn3CC(N)=O)C2)nc2ccccc12 ZINC000095525527 473220549 /nfs/dbraw/zinc/22/05/49/473220549.db2.gz PLMDMHZDWRLSEN-HNNXBMFYSA-N 0 0 349.438 2.609 50 0 EFAARN CCc1cccc(C)c1N1C[C@@H](c2nc(-c3cccnn3)no2)CC1=O ZINC000095529550 473221130 /nfs/dbraw/zinc/22/11/30/473221130.db2.gz ALEBEKLXGVCNBV-AWEZNQCLSA-N 0 0 349.394 2.918 50 0 EFAARN Cc1nn(C)c2nc(N(Cc3ccccn3)C[C@@H]3CCCO3)sc12 ZINC000095526522 473221360 /nfs/dbraw/zinc/22/13/60/473221360.db2.gz DRQMGHBXVNSMPJ-AWEZNQCLSA-N 0 0 343.456 2.919 50 0 EFAARN CCOc1ccc(C(C)=O)cc1NC(=O)NCCCn1ccnc1 ZINC000095527943 473221362 /nfs/dbraw/zinc/22/13/62/473221362.db2.gz SIZVUFVQZSAXGD-UHFFFAOYSA-N 0 0 330.388 2.696 50 0 EFAARN O=C([C@H]1CCOc2ccccc2C1)N1CCN(Cc2ccco2)CC1 ZINC000095527783 473221374 /nfs/dbraw/zinc/22/13/74/473221374.db2.gz YXSXTXDDTAIAJR-KRWDZBQOSA-N 0 0 340.423 2.565 50 0 EFAARN Cc1nccn1CC1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000095530583 473221967 /nfs/dbraw/zinc/22/19/67/473221967.db2.gz PMTMYWVICAZABW-SFHVURJKSA-N 0 0 339.439 2.681 50 0 EFAARN CCOC(=O)c1nc(Cl)nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000095743171 473224373 /nfs/dbraw/zinc/22/43/73/473224373.db2.gz GXVOQBUHDHOENN-UHFFFAOYSA-N 0 0 341.795 2.600 50 0 EFAARN Cc1nc([C@@H]2CN(Cc3cc(Cl)nc(Cl)c3)CCO2)no1 ZINC000095958112 473230204 /nfs/dbraw/zinc/23/02/04/473230204.db2.gz XTMNEOZZGCMLAE-JTQLQIEISA-N 0 0 329.187 2.653 50 0 EFAARN COc1cc(CN2CC(c3nc(-c4ccco4)no3)C2)cc(OC)c1 ZINC000096024295 473257374 /nfs/dbraw/zinc/25/73/74/473257374.db2.gz KBRBXOVLDPEWCG-UHFFFAOYSA-N 0 0 341.367 2.946 50 0 EFAARN O=C(NCCn1ccc(-c2ccncc2)n1)c1nc2ccccc2s1 ZINC000096026136 473257520 /nfs/dbraw/zinc/25/75/20/473257520.db2.gz CYQLNZIUXVICFA-UHFFFAOYSA-N 0 0 349.419 2.985 50 0 EFAARN O=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ccccn2)CC1 ZINC000096024739 473257740 /nfs/dbraw/zinc/25/77/40/473257740.db2.gz QAKJPYRWHOVFIQ-RVDMUPIBSA-N 0 0 344.436 2.926 50 0 EFAARN C[C@H](Oc1ccccc1)C(=O)N1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024263 473257843 /nfs/dbraw/zinc/25/78/43/473257843.db2.gz JPRBXFUVAGDGCK-LBPRGKRZSA-N 0 0 339.351 2.723 50 0 EFAARN CC(C)c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)n(C)n1 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CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(F)c1 ZINC000000415959 471355923 /nfs/dbraw/zinc/35/59/23/471355923.db2.gz MCQMPPIAYPUBOP-UHFFFAOYSA-N 0 0 325.343 2.737 50 0 EFAARN COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000000422622 471358044 /nfs/dbraw/zinc/35/80/44/471358044.db2.gz HKKQOMDBGPQZMW-UHFFFAOYSA-N 0 0 340.408 2.861 50 0 EFAARN COc1ccc(NC(=O)c2cc3ccc(O)cc3oc2=O)cc1OC ZINC000000424127 471358296 /nfs/dbraw/zinc/35/82/96/471358296.db2.gz UKKPJJCCMAAACD-UHFFFAOYSA-N 0 0 341.319 2.768 50 0 biogenic EFAARN O=C(NCc1ccccc1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000000426831 471359144 /nfs/dbraw/zinc/35/91/44/471359144.db2.gz CGMXWXDPJWCUTP-UHFFFAOYSA-N 0 0 335.388 2.839 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccccc2)c1 ZINC000000441560 471360169 /nfs/dbraw/zinc/36/01/69/471360169.db2.gz NBQKUVWXESMSRU-UHFFFAOYSA-N 0 0 341.363 2.831 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000446055 471361062 /nfs/dbraw/zinc/36/10/62/471361062.db2.gz ZMRJSXJKEVTHDE-UHFFFAOYSA-N 0 0 338.816 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EFAARN CC(C)COc1cccc(C(=O)NC(=S)NCc2cccnc2)c1 ZINC000000469460 471362982 /nfs/dbraw/zinc/36/29/82/471362982.db2.gz VETLJWGBGLRVCE-UHFFFAOYSA-N 0 0 343.452 2.921 50 0 EFAARN CC(=O)c1cccc(NCN2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)c1 ZINC000000472959 471364435 /nfs/dbraw/zinc/36/44/35/471364435.db2.gz NSUFMZYJEUINGB-LSDHHAIUSA-N 0 0 332.787 2.776 50 0 EFAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1N ZINC000000470645 471364442 /nfs/dbraw/zinc/36/44/42/471364442.db2.gz QZNWCSWJOCOBJF-STQMWFEESA-N 0 0 345.472 2.541 50 0 EFAARN Cc1ccc(Cl)cc1N1C(=O)C[C@@H](Sc2ncccn2)C1=O ZINC000000476282 471364568 /nfs/dbraw/zinc/36/45/68/471364568.db2.gz AIZDTYHICOWUOZ-GFCCVEGCSA-N 0 0 333.800 2.863 50 0 EFAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)OC)n21)CCC3 ZINC000000477124 471364577 /nfs/dbraw/zinc/36/45/77/471364577.db2.gz YCQXMHOQLXECKH-UHFFFAOYSA-N 0 0 348.453 2.655 50 0 EFAARN CCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)c(OC)c1 ZINC000000472370 471364600 /nfs/dbraw/zinc/36/46/00/471364600.db2.gz DHJLJCWUDCZLAT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/36/87/64/471368764.db2.gz DVILQZGHWBDJRW-UHFFFAOYSA-N 0 0 342.424 2.968 50 0 EFAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000000532638 471368844 /nfs/dbraw/zinc/36/88/44/471368844.db2.gz VEEZVOKGXZMOMY-UHFFFAOYSA-N 0 0 343.412 2.600 50 0 EFAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C(C)C)C2=O)cc1 ZINC000000528492 471368888 /nfs/dbraw/zinc/36/88/88/471368888.db2.gz HTMNVKOIWOOUCP-HXUWFJFHSA-N 0 0 339.391 2.911 50 0 EFAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000000528344 471368949 /nfs/dbraw/zinc/36/89/49/471368949.db2.gz QCACLLVMMGZJJH-UHFFFAOYSA-N 0 0 338.319 2.936 50 0 EFAARN Cn1ncc2c3nc(COc4ccc5ccccc5c4)nn3cnc21 ZINC000000545452 471369316 /nfs/dbraw/zinc/36/93/16/471369316.db2.gz QNYFXKQKBFVFNC-UHFFFAOYSA-N 0 0 330.351 2.743 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 ZINC000000559920 471370196 /nfs/dbraw/zinc/37/01/96/471370196.db2.gz YCOJEZKELHTDKE-CMDGGOBGSA-N 0 0 339.395 2.600 50 0 EFAARN O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(-n2cccc2)cc1 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COc1ccc([C@H](C)NC(=O)c2nn3cccnc3c2Cl)cc1 ZINC000002794368 471422819 /nfs/dbraw/zinc/42/28/19/471422819.db2.gz QDNUOPSXTAITLU-JTQLQIEISA-N 0 0 330.775 2.882 50 0 EFAARN Cc1ccc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cc1 ZINC000002795549 471422836 /nfs/dbraw/zinc/42/28/36/471422836.db2.gz CNKARZZAXCMPTM-UHFFFAOYSA-N 0 0 338.367 2.504 50 0 EFAARN CC(C)OCCC[NH2+][C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000002856767 471425044 /nfs/dbraw/zinc/42/50/44/471425044.db2.gz FBIGNUBRKTULNM-AWEZNQCLSA-N 0 0 342.823 2.527 50 0 EFAARN CCCCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000002865956 471425255 /nfs/dbraw/zinc/42/52/55/471425255.db2.gz LGEBFOWFOVSYSY-UHFFFAOYSA-N 0 0 348.468 2.767 50 0 EFAARN CC1(C)NC(=O)N(CCCOc2ccccc2Br)C1=O ZINC000002862529 471425290 /nfs/dbraw/zinc/42/52/90/471425290.db2.gz AYWWSTBXFYYPPF-UHFFFAOYSA-N 0 0 341.205 2.548 50 0 EFAARN O=C(CCCN1C(=O)CCC1=O)Nc1ccc(Cl)cc1Cl ZINC000002866824 471425405 /nfs/dbraw/zinc/42/54/05/471425405.db2.gz HAIWKELRWNMRDI-UHFFFAOYSA-N 0 0 329.183 2.861 50 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CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000003831001 471455451 /nfs/dbraw/zinc/45/54/51/471455451.db2.gz BKRGVLQUQGGVSM-KBXCAEBGSA-N 0 0 338.455 2.841 50 0 world EFAARN O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000004002872 471457079 /nfs/dbraw/zinc/45/70/79/471457079.db2.gz OGZFRZIGBZADOA-UHFFFAOYSA-N 0 0 337.301 2.920 50 0 EFAARN O=C(COc1cc(F)cc(F)c1)N1CCN(c2ccccc2)CC1 ZINC000004054491 471458449 /nfs/dbraw/zinc/45/84/49/471458449.db2.gz FNAYPXVXXUFRGL-UHFFFAOYSA-N 0 0 332.350 2.692 50 0 EFAARN CC(C)N1C(=O)N[C@@H]2[C@H]([C@@H]1c1ccccc1)[C@H](C)NC(=O)N2C(C)C ZINC000004023331 471459181 /nfs/dbraw/zinc/45/91/81/471459181.db2.gz PFWXSCUXNSMURW-HJWJTTGWSA-N 0 0 344.459 2.926 50 0 biogenic EFAARN CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)NC1=O ZINC000004185042 471460978 /nfs/dbraw/zinc/46/09/78/471460978.db2.gz FHWURJVRDUYYKO-NTMALXAHSA-N 0 0 346.437 2.846 50 0 EFAARN C[C@H]1CN(c2nc3c(cnn3C)c(NC3CCCCC3)n2)C[C@H](C)O1 ZINC000004374921 471464587 /nfs/dbraw/zinc/46/45/87/471464587.db2.gz PMWADTFGLDUCML-STQMWFEESA-N 0 0 344.463 2.722 50 0 EFAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000004502409 471467083 /nfs/dbraw/zinc/46/70/83/471467083.db2.gz UBSVAGPWOMBKQP-DGCLKSJQSA-N 0 0 336.819 2.760 50 0 EFAARN CC(=O)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 ZINC000004488770 471467410 /nfs/dbraw/zinc/46/74/10/471467410.db2.gz HHHGZFQEJASBHA-CQSZACIVSA-N 0 0 339.347 2.857 50 0 EFAARN COc1cc2c(cc1OC)CN(C(=O)C(Cl)(Cl)Cl)CC2 ZINC000004618610 471469453 /nfs/dbraw/zinc/46/94/53/471469453.db2.gz DGUDPVKKEPXKLP-UHFFFAOYSA-N 0 0 338.618 2.959 50 0 EFAARN COc1ccccc1N1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000004676515 471471079 /nfs/dbraw/zinc/47/10/79/471471079.db2.gz ARNOIEQZFJJUBG-UHFFFAOYSA-N 0 0 349.434 2.999 50 0 EFAARN O=C1N(CN2CCCCC2)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 ZINC000004717578 471472130 /nfs/dbraw/zinc/47/21/30/471472130.db2.gz ZEWKAUOVAMQTRW-ROUUACIJSA-N 0 0 342.439 2.987 50 0 EFAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000004818481 471474879 /nfs/dbraw/zinc/47/48/79/471474879.db2.gz BNHSTSPURXOSQP-UHFFFAOYSA-N 0 0 335.407 2.659 50 0 EFAARN COc1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1 ZINC000004776704 471474923 /nfs/dbraw/zinc/47/49/23/471474923.db2.gz LAJHVKNKWXHNMH-UHFFFAOYSA-N 0 0 332.787 2.508 50 0 EFAARN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000004777197 471474962 /nfs/dbraw/zinc/47/49/62/471474962.db2.gz YRIOCYIUDSZLKK-INIZCTEOSA-N 0 0 325.412 2.506 50 0 EFAARN CC(=O)Oc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000004841915 471476221 /nfs/dbraw/zinc/47/62/21/471476221.db2.gz RYGWSCXMHYLPDU-UHFFFAOYSA-N 0 0 342.370 2.713 50 0 EFAARN O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000004839515 471476910 /nfs/dbraw/zinc/47/69/10/471476910.db2.gz DHVCJFYSBTUIMY-UHFFFAOYSA-N 0 0 349.390 2.826 50 0 EFAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(N)=O ZINC000004853696 471477826 /nfs/dbraw/zinc/47/78/26/471477826.db2.gz PGWQYMOHMZKQAH-UHFFFAOYSA-N 0 0 338.816 2.857 50 0 EFAARN COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000005180662 471489231 /nfs/dbraw/zinc/48/92/31/471489231.db2.gz GAUHMEWAKHVOIR-UHFFFAOYSA-N 0 0 328.412 2.836 50 0 EFAARN CCOc1ccc(N2C[C@@H](NC(=O)c3ccccc3C)CC2=O)cc1 ZINC000005195740 471491318 /nfs/dbraw/zinc/49/13/18/471491318.db2.gz VDLUXKLRFAQTNE-HNNXBMFYSA-N 0 0 338.407 2.929 50 0 EFAARN C[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 ZINC000005195364 471491517 /nfs/dbraw/zinc/49/15/17/471491517.db2.gz MOSXDXXSANNQMD-TZMCWYRMSA-N 0 0 335.835 2.887 50 0 EFAARN CCCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccncc2)C1=O ZINC000005246634 471493965 /nfs/dbraw/zinc/49/39/65/471493965.db2.gz ZXNWOOUCRAEBLI-SFHVURJKSA-N 0 0 344.798 2.952 50 0 EFAARN Cc1cccc(-c2nc3c(c(SCC(N)=O)n2)COC(C)(C)C3)c1 ZINC000005244524 471494416 /nfs/dbraw/zinc/49/44/16/471494416.db2.gz LPCDKBDYPHEICI-UHFFFAOYSA-N 0 0 343.452 2.881 50 0 EFAARN Cc1ccccc1-n1ncc2c3nnc(-c4ccncc4)n3cnc21 ZINC000005269376 471495864 /nfs/dbraw/zinc/49/58/64/471495864.db2.gz DSGPYEXNSSRPNZ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/50/64/06/471506406.db2.gz TUANZRFBWDUYIK-UHFFFAOYSA-N 0 0 344.392 2.765 50 0 EFAARN COc1cc(=O)[nH]c(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000005462257 471507045 /nfs/dbraw/zinc/50/70/45/471507045.db2.gz XLGUSBRFIFLRGU-UHFFFAOYSA-N 0 0 334.441 2.656 50 0 EFAARN COc1ccccc1NC(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000005484162 471508014 /nfs/dbraw/zinc/50/80/14/471508014.db2.gz AWMFNJIRLVEOOO-UHFFFAOYSA-N 0 0 335.363 2.802 50 0 EFAARN CN(C)C=C1C(=O)N(c2ccc(Oc3ccccc3)cc2)C[S@]1=O ZINC000005477509 471508527 /nfs/dbraw/zinc/50/85/27/471508527.db2.gz KVFVJZYOCRCULL-JYFCICGUSA-N 0 0 342.420 2.935 50 0 EFAARN C[C@H](CC(=O)n1c2ccccc2oc1=O)n1c2ccccc2oc1=O ZINC000005528847 471509936 /nfs/dbraw/zinc/50/99/36/471509936.db2.gz FOGMAEVNUAGHMC-LLVKDONJSA-N 0 0 338.319 2.794 50 0 EFAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000005521996 471509971 /nfs/dbraw/zinc/50/99/71/471509971.db2.gz NJVXLKJLBYSFRO-UHFFFAOYSA-N 0 0 332.425 2.884 50 0 EFAARN COc1ccccc1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000005577430 471512026 /nfs/dbraw/zinc/51/20/26/471512026.db2.gz HWOHSFWHUWNZOW-UHFFFAOYSA-N 0 0 331.368 2.902 50 0 EFAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000005578464 471512822 /nfs/dbraw/zinc/51/28/22/471512822.db2.gz GHXGQHXEJAFZKX-LJQANCHMSA-N 0 0 336.435 2.968 50 0 EFAARN CCC(Nc1ccc2ccccc2c1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000005584728 471512840 /nfs/dbraw/zinc/51/28/40/471512840.db2.gz HKZPUWPQBVYDAO-UHFFFAOYSA-N 0 0 337.379 2.966 50 0 EFAARN CCCOC(=O)C(C(=O)OCCC)n1c2ccccc2sc1=O ZINC000005591241 471512873 /nfs/dbraw/zinc/51/28/73/471512873.db2.gz JYRINMXISYXZIF-UHFFFAOYSA-N 0 0 337.397 2.511 50 0 EFAARN O=C(Nc1ccc(F)cc1F)c1n[nH]cc1I ZINC000005642283 471515516 /nfs/dbraw/zinc/51/55/16/471515516.db2.gz IHYQQJNGJSJOPU-UHFFFAOYSA-N 0 0 349.078 2.545 50 0 EFAARN CCn1c(=S)[nH]nc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005679288 471516534 /nfs/dbraw/zinc/51/65/34/471516534.db2.gz SUQXVXZIPDXCSQ-QMMMGPOBSA-N 0 0 346.865 2.653 50 0 EFAARN COc1ccc([S@](=O)NCc2ccccc2OC)c(OC)c1C ZINC000005721613 471519098 /nfs/dbraw/zinc/51/90/98/471519098.db2.gz RXSWJEFXIYXXCH-HSZRJFAPSA-N 0 0 335.425 2.833 50 0 EFAARN CCCCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 ZINC000005868476 471523735 /nfs/dbraw/zinc/52/37/35/471523735.db2.gz YHZDXVYGJNMJIC-HNNXBMFYSA-N 0 0 334.441 2.831 50 0 EFAARN Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)sc2c1 ZINC000005942857 471526613 /nfs/dbraw/zinc/52/66/13/471526613.db2.gz AZPVGKQLMRXGCM-SECBINFHSA-N 0 0 343.857 2.780 50 0 EFAARN CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1ccc(F)cc1 ZINC000005983550 471528535 /nfs/dbraw/zinc/52/85/35/471528535.db2.gz BFIWAXGGISAHGJ-UHFFFAOYSA-N 0 0 333.388 2.533 50 0 EFAARN O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1c[nH]c2ccccc12 ZINC000006000059 471529047 /nfs/dbraw/zinc/52/90/47/471529047.db2.gz FCBIUSMHBBISDV-LSDHHAIUSA-N 0 0 347.418 2.632 50 0 biogenic EFAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cccc(C)c1 ZINC000006047159 471529216 /nfs/dbraw/zinc/52/92/16/471529216.db2.gz 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/nfs/dbraw/zinc/54/35/22/471543522.db2.gz YWJJQBYNIXRSAC-UHFFFAOYSA-N 0 0 338.367 2.884 50 0 EFAARN CCCn1c(SCC(=O)Nc2nccs2)nnc1C(C)C ZINC000006400299 471543604 /nfs/dbraw/zinc/54/36/04/471543604.db2.gz UMNDLPUOIRPVLQ-UHFFFAOYSA-N 0 0 325.463 2.999 50 0 EFAARN COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000006406744 471543966 /nfs/dbraw/zinc/54/39/66/471543966.db2.gz LFYOCZKXTODFDI-UHLKUBKWSA-N 0 0 345.439 2.871 50 0 biogenic EFAARN C[C@H]1CCc2c(sc3c2-c2nnc(S)n2-c2nnc(S)n2-3)C1 ZINC000006416692 471544283 /nfs/dbraw/zinc/54/42/83/471544283.db2.gz HBJDWRDTANADJF-YFKPBYRVSA-N 0 0 348.482 2.592 50 0 EFAARN Oc1cccc(C2N=NC(=S)N2c2ccc3c(c2)OCCO3)c1 ZINC000006444673 471545256 /nfs/dbraw/zinc/54/52/56/471545256.db2.gz JEKIFNSXQFSNHX-UHFFFAOYSA-N 0 0 327.365 2.700 50 0 EFAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Br)cc1 ZINC000006526657 471548612 /nfs/dbraw/zinc/54/86/12/471548612.db2.gz FCUYNZGKOHNPHK-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(CC)[nH]2)cc1 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O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C1CCC1 ZINC000006662615 471558525 /nfs/dbraw/zinc/55/85/25/471558525.db2.gz XJSOVYJCFHPPCL-UHFFFAOYSA-N 0 0 332.713 2.818 50 0 EFAARN O=C1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccc(F)cc21 ZINC000006662864 471558751 /nfs/dbraw/zinc/55/87/51/471558751.db2.gz SJGAQCJAVMMKPJ-UHFFFAOYSA-N 0 0 333.702 2.937 50 0 EFAARN CC(C)C(=O)Nc1ccc2c(c1)nc(CCn1ccccc1=O)n2C ZINC000006665159 471558859 /nfs/dbraw/zinc/55/88/59/471558859.db2.gz RXMPLPMXTVWXNI-UHFFFAOYSA-N 0 0 338.411 2.572 50 0 EFAARN COC(=O)c1ccccc1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000006697631 471559450 /nfs/dbraw/zinc/55/94/50/471559450.db2.gz OBGQETCBTJMALE-ZWKOTPCHSA-N 0 0 332.352 2.501 50 0 EFAARN CSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000006702682 471560644 /nfs/dbraw/zinc/56/06/44/471560644.db2.gz CGFLTMKXKAPSLP-UHFFFAOYSA-N 0 0 336.438 2.617 50 0 EFAARN CCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(C)=O ZINC000006702346 471560888 /nfs/dbraw/zinc/56/08/88/471560888.db2.gz IXPZEOHMWJATCZ-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/56/68/46/471566846.db2.gz DJELKVPIIIDJRQ-UHFFFAOYSA-N 0 0 332.363 2.888 50 0 EFAARN CSc1nc2c3c(sc2c(NCCOCCO)n1)CCCC3 ZINC000006758095 471566914 /nfs/dbraw/zinc/56/69/14/471566914.db2.gz KSZUARTXBDHPPN-UHFFFAOYSA-N 0 0 339.486 2.713 50 0 EFAARN O=C(NCc1ccccn1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006803085 471570825 /nfs/dbraw/zinc/57/08/25/471570825.db2.gz YEXDSSCIQWZGMK-UHFFFAOYSA-N 0 0 343.390 2.988 50 0 EFAARN CCSc1ncc(Cl)c(C(=O)Nc2nnc(CC)s2)n1 ZINC000006810483 471571470 /nfs/dbraw/zinc/57/14/70/471571470.db2.gz TUGMBKUJMLLUBP-UHFFFAOYSA-N 0 0 329.838 2.908 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000006810425 471571514 /nfs/dbraw/zinc/57/15/14/471571514.db2.gz HDMQNQHOWZQGMH-UHFFFAOYSA-N 0 0 337.788 2.891 50 0 EFAARN O=C(c1ccccc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000006811010 471571547 /nfs/dbraw/zinc/57/15/47/471571547.db2.gz RWRNAUIGGQZEOJ-MRXNPFEDSA-N 0 0 347.411 2.655 50 0 EFAARN Cc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000006810271 471571650 /nfs/dbraw/zinc/57/16/50/471571650.db2.gz MXTJSQRZFVCTSZ-INIZCTEOSA-N 0 0 347.436 2.726 50 0 EFAARN COc1ccc(/C=C(/NC(C)=O)C(=O)NC2CCCCC2)cc1OC ZINC000006856710 471574450 /nfs/dbraw/zinc/57/44/50/471574450.db2.gz KDMGVZUHKMLAKW-LFIBNONCSA-N 0 0 346.427 2.630 50 0 EFAARN O=C(CSC1=NCCS1)Nc1ccc(Br)cn1 ZINC000006896419 471577518 /nfs/dbraw/zinc/57/75/18/471577518.db2.gz NRLPEUQYDQLUFX-UHFFFAOYSA-N 0 0 332.248 2.619 50 0 EFAARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)cc1 ZINC000006973788 471581956 /nfs/dbraw/zinc/58/19/56/471581956.db2.gz LQQJBVAZAYPBQC-UHFFFAOYSA-N 0 0 341.396 2.606 50 0 EFAARN COc1ccccc1CC(=O)OCC(=O)NCc1ccccc1Cl ZINC000007035186 471585263 /nfs/dbraw/zinc/58/52/63/471585263.db2.gz NAQAFHWWYUDREX-UHFFFAOYSA-N 0 0 347.798 2.751 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)c(OC)c1 ZINC000007182403 471595931 /nfs/dbraw/zinc/59/59/31/471595931.db2.gz KNDLUTZDULNGJR-UHFFFAOYSA-N 0 0 347.342 2.947 50 0 EFAARN CNC(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000007221629 471598740 /nfs/dbraw/zinc/59/87/40/471598740.db2.gz DOCJNPRBKBAUIX-UHFFFAOYSA-N 0 0 340.408 2.653 50 0 EFAARN COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000007382469 471609949 /nfs/dbraw/zinc/60/99/49/471609949.db2.gz HMLNSVCPXYMSAW-INIZCTEOSA-N 0 0 340.423 2.811 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000007389844 471610629 /nfs/dbraw/zinc/61/06/29/471610629.db2.gz UMBYOFGRAHVOAA-HNNXBMFYSA-N 0 0 349.434 2.842 50 0 EFAARN CCc1nnc(NC(=O)[C@H](C)Nc2cc(OC)ccc2OC)s1 ZINC000007463630 471615838 /nfs/dbraw/zinc/61/58/38/471615838.db2.gz FNERTXMMOAPRGU-VIFPVBQESA-N 0 0 336.417 2.557 50 0 EFAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1C ZINC000007455881 471615889 /nfs/dbraw/zinc/61/58/89/471615889.db2.gz WOCIHPULIGZPTO-UHFFFAOYSA-N 0 0 335.363 2.802 50 0 EFAARN COc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000007504528 471618794 /nfs/dbraw/zinc/61/87/94/471618794.db2.gz LHBLTORSHBLAHW-UHFFFAOYSA-N 0 0 342.395 2.793 50 0 EFAARN COc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)c(OC)c1 ZINC000007491856 471619066 /nfs/dbraw/zinc/61/90/66/471619066.db2.gz NOATVCMDHGIEQQ-UHFFFAOYSA-N 0 0 347.342 2.567 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1-n1cnnn1 ZINC000007655569 471628238 /nfs/dbraw/zinc/62/82/38/471628238.db2.gz RTWZMYNQWBSYKG-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Cl ZINC000008035232 471657553 /nfs/dbraw/zinc/65/75/53/471657553.db2.gz QKFOLTATGZFLKC-UHFFFAOYSA-N 0 0 346.742 2.518 50 0 EFAARN COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000008209215 471671867 /nfs/dbraw/zinc/67/18/67/471671867.db2.gz FCDJAQXEQCFDGK-LLVKDONJSA-N 0 0 346.836 2.765 50 0 EFAARN COc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)c(OC)c1 ZINC000008217415 471672491 /nfs/dbraw/zinc/67/24/91/471672491.db2.gz HLKYDXHNGBSYEC-ZDUSSCGKSA-N 0 0 346.427 2.506 50 0 EFAARN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008216873 471672512 /nfs/dbraw/zinc/67/25/12/471672512.db2.gz ZOQLYONOKOWREF-MRXNPFEDSA-N 0 0 338.407 2.673 50 0 EFAARN COC[C@@H](C)N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000008234847 471674261 /nfs/dbraw/zinc/67/42/61/471674261.db2.gz PPZORMIOOLIYLV-MNOVXSKESA-N 0 0 344.333 2.527 50 0 EFAARN CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000008281767 471677410 /nfs/dbraw/zinc/67/74/10/471677410.db2.gz RNGNPGFVWJRERQ-UHFFFAOYSA-N 0 0 339.442 2.633 50 0 EFAARN O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000008286521 471677945 /nfs/dbraw/zinc/67/79/45/471677945.db2.gz QCTYJMWOYRYPQP-UHFFFAOYSA-N 0 0 338.816 2.647 50 0 EFAARN Cc1ccc(OCC(=O)NCCCNC(=O)c2cccs2)cc1C ZINC000008402534 471687184 /nfs/dbraw/zinc/68/71/84/471687184.db2.gz VQKYJVYLUYUYGQ-UHFFFAOYSA-N 0 0 346.452 2.680 50 0 EFAARN Cc1nnc(SCC(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000008428598 471687839 /nfs/dbraw/zinc/68/78/39/471687839.db2.gz GCAWKBFAWSFLFA-UHFFFAOYSA-N 0 0 332.454 2.779 50 0 EFAARN CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000008477103 471688989 /nfs/dbraw/zinc/68/89/89/471688989.db2.gz CNMBWRBAEIJJQH-UHFFFAOYSA-N 0 0 344.864 2.649 50 0 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Cc1nnc([C@H]2CCCN2CCC(=O)Nc2ccc3c(c2)CCC3)[nH]1 ZINC000252482852 474667646 /nfs/dbraw/zinc/66/76/46/474667646.db2.gz DPCKYAXVLAOQIF-QGZVFWFLSA-N 0 0 339.443 2.768 50 0 EFAARN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1C ZINC000252481658 474667734 /nfs/dbraw/zinc/66/77/34/474667734.db2.gz CQARHRPRKUHDCK-UHFFFAOYSA-N 0 0 328.372 2.658 50 0 EFAARN Cc1ccc(NC(=O)CN2CCC([C@H](O)c3ccccn3)CC2)cc1 ZINC000252482679 474667981 /nfs/dbraw/zinc/66/79/81/474667981.db2.gz DLYFKUQPOOYUIR-FQEVSTJZSA-N 0 0 339.439 2.774 50 0 EFAARN Cc1nc([C@H]2CCCN(C(=O)c3cccn3C(C)C)C2)cc(=O)[nH]1 ZINC000252489332 474675262 /nfs/dbraw/zinc/67/52/62/474675262.db2.gz JOJPZTFKPJBGBC-AWEZNQCLSA-N 0 0 328.416 2.893 50 0 EFAARN CN(CC(=O)N1CCOc2ccccc21)Cc1cc(C(C)(C)C)n[nH]1 ZINC000252495457 474678783 /nfs/dbraw/zinc/67/87/83/474678783.db2.gz OQTIPWPODMRSJT-UHFFFAOYSA-N 0 0 342.443 2.565 50 0 EFAARN COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000252496667 474680914 /nfs/dbraw/zinc/68/09/14/474680914.db2.gz POFPLEVXWNHUEP-KRWDZBQOSA-N 0 0 337.379 2.549 50 0 EFAARN CC(C)C[C@@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 ZINC000252504793 474682778 /nfs/dbraw/zinc/68/27/78/474682778.db2.gz VLOAXEUQXJBMDK-OAHLLOKOSA-N 0 0 349.398 2.518 50 0 EFAARN C[C@H]1CCCC[N@@H+]1C1CN(CCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000252507816 474685624 /nfs/dbraw/zinc/68/56/24/474685624.db2.gz WUHIMYDMEWUENY-HNNXBMFYSA-N 0 0 332.444 2.712 50 0 EFAARN COc1ccccc1CCNC(=O)COc1cccc2c1ccn2C ZINC000252509273 474687758 /nfs/dbraw/zinc/68/77/58/474687758.db2.gz YJBVTQUSUSNWTC-UHFFFAOYSA-N 0 0 338.407 2.925 50 0 EFAARN CCc1nc(C)c(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)s1 ZINC000252522967 474692147 /nfs/dbraw/zinc/69/21/47/474692147.db2.gz BNWYWNPBYPWMBJ-QLFBSQMISA-N 0 0 345.468 2.521 50 0 EFAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1OC(F)F ZINC000252527651 474693925 /nfs/dbraw/zinc/69/39/25/474693925.db2.gz DBXMPZJTPUQYNB-XHBSWPGZSA-N 0 0 348.349 2.925 50 0 EFAARN Cc1sc(-n2cccc2)nc1C(=O)N[C@@H](CO)c1ccccc1 ZINC000252533121 474693969 /nfs/dbraw/zinc/69/39/69/474693969.db2.gz FWUREPRSMCUNDS-AWEZNQCLSA-N 0 0 327.409 2.706 50 0 EFAARN O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCC2 ZINC000252533051 474694113 /nfs/dbraw/zinc/69/41/13/474694113.db2.gz FUCRREZIFYXCMO-MISYRCLQSA-N 0 0 336.435 2.682 50 0 EFAARN O=C(CCc1cccc(O)c1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000252523166 474694201 /nfs/dbraw/zinc/69/42/01/474694201.db2.gz BZNXRMMNMAJASF-IHPCNDPISA-N 0 0 339.435 2.823 50 0 EFAARN Cc1[nH]nc(C2CC2)c1C(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000252550389 474696659 /nfs/dbraw/zinc/69/66/59/474696659.db2.gz SNBTXQACYOYJTB-BRWVUGGUSA-N 0 0 339.439 2.708 50 0 EFAARN O=C(Cn1ccc2ccccc21)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000252571502 474697442 /nfs/dbraw/zinc/69/74/42/474697442.db2.gz YBTOWOHBOMLCMF-BHIYHBOVSA-N 0 0 349.434 2.535 50 0 EFAARN CSc1ccc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)cc1 ZINC000253393922 474733996 /nfs/dbraw/zinc/73/39/96/474733996.db2.gz PWQLNTDYWYCAAJ-UWWQBHOKSA-N 0 0 342.464 2.916 50 0 EFAARN COC(=O)C[C@H](c1cccnc1)c1oc2ccccc2c(=O)c1O ZINC000253396316 474735260 /nfs/dbraw/zinc/73/52/60/474735260.db2.gz AZIHZPZVAASPFX-CYBMUJFWSA-N 0 0 325.320 2.589 50 0 biogenic EFAARN Cc1nccn1CCNC(=O)COc1cccc2c1ccn2C(C)C ZINC000253401211 474736638 /nfs/dbraw/zinc/73/66/38/474736638.db2.gz FKMHMQRZXZGLAW-UHFFFAOYSA-N 0 0 340.427 2.922 50 0 EFAARN COc1ccccc1CCNC(=O)c1ccnc(OCC2CC2)c1 ZINC000253398171 474737822 /nfs/dbraw/zinc/73/78/22/474737822.db2.gz GRGAYWGCJUUSGI-UHFFFAOYSA-N 0 0 326.396 2.852 50 0 EFAARN Cc1noc([C@H]2CN(C(=O)Cn3cccc3)C[C@H]2c2ccccc2)n1 ZINC000253407079 474739139 /nfs/dbraw/zinc/73/91/39/474739139.db2.gz VOWYSYFYUOCZSZ-IRXDYDNUSA-N 0 0 336.395 2.589 50 0 EFAARN Cc1ccc(C)n1CCC(=O)Nc1ccc2c(c1)nc(CO)n2C ZINC000253403853 474739190 /nfs/dbraw/zinc/73/91/90/474739190.db2.gz HNAYXCYPZAVRKD-UHFFFAOYSA-N 0 0 326.400 2.513 50 0 EFAARN COCCn1c(C(=O)NCCn2cccn2)cc2cc(Cl)ccc21 ZINC000253408058 474739757 /nfs/dbraw/zinc/73/97/57/474739757.db2.gz KJANJCAICAAANA-UHFFFAOYSA-N 0 0 346.818 2.568 50 0 EFAARN COc1cc2cc(C(=O)Nc3nnc(C(C)C)[nH]3)[nH]c2cc1OC ZINC000253412073 474741113 /nfs/dbraw/zinc/74/11/13/474741113.db2.gz PTZCDUKFMPOVFQ-UHFFFAOYSA-N 0 0 329.360 2.679 50 0 EFAARN CC(=O)Nc1cccc(NC(=O)CC2(n3cccc3)CCOCC2)c1 ZINC000253412546 474741614 /nfs/dbraw/zinc/74/16/14/474741614.db2.gz RHYSJZNAPWFYHI-UHFFFAOYSA-N 0 0 341.411 2.981 50 0 EFAARN O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1cc2ccccc2o1 ZINC000253473053 474759832 /nfs/dbraw/zinc/75/98/32/474759832.db2.gz REHIPEZFHJVAST-AWEZNQCLSA-N 0 0 339.347 2.667 50 0 EFAARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1)c1cc2ccccc2o1 ZINC000253472296 474760209 /nfs/dbraw/zinc/76/02/09/474760209.db2.gz LGDRMIBPXUKKMX-QGZVFWFLSA-N 0 0 338.363 2.875 50 0 EFAARN Cc1oncc1CN1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000253474546 474761297 /nfs/dbraw/zinc/76/12/97/474761297.db2.gz HSOAISGUQMEYOT-QPJJXVBHSA-N 0 0 345.830 2.994 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc3c1O[C@@H](C)[C@H]3C)C2 ZINC000253598278 474770878 /nfs/dbraw/zinc/77/08/78/474770878.db2.gz FZCPIXAVVAZKQX-RDBSUJKOSA-N 0 0 325.412 2.821 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2 ZINC000253599062 474771491 /nfs/dbraw/zinc/77/14/91/474771491.db2.gz ZKHDDQHQOAJQKG-IVMMDQJWSA-N 0 0 327.428 2.972 50 0 EFAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000257346269 474965952 /nfs/dbraw/zinc/96/59/52/474965952.db2.gz WZLPMEFLVNRRPZ-UZSPEORTSA-N 0 0 346.467 2.809 50 0 EFAARN O=C(Nc1cccnc1)c1ncn(-c2ccc(OC(F)F)cc2)n1 ZINC000261490534 474980324 /nfs/dbraw/zinc/98/03/24/474980324.db2.gz FEUOYGNTAZQSCU-UHFFFAOYSA-N 0 0 331.282 2.516 50 0 EFAARN CN(C(=O)c1cncc(O)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273599633 474985200 /nfs/dbraw/zinc/98/52/00/474985200.db2.gz XYVDTTYAQZHZRQ-NVXWUHKLSA-N 0 0 330.359 2.919 50 0 EFAARN Cc1ccc(NCCCNC(=O)c2cc(C)nc3ccccc32)nc1 ZINC000347127590 476113492 /nfs/dbraw/zinc/11/34/92/476113492.db2.gz UGFOJMQPHURRJV-UHFFFAOYSA-N 0 0 334.423 3.479 50 0 EFAARN COc1ccc(S(=O)(=O)CCNC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000334159284 476123092 /nfs/dbraw/zinc/12/30/92/476123092.db2.gz SVHGYPFXISCNNI-NXVVXOECSA-N 0 0 349.412 2.689 50 0 EFAARN O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc(C2CC2)no1 ZINC000299754904 476151833 /nfs/dbraw/zinc/15/18/33/476151833.db2.gz BVFTUUWZWCTNFQ-ZDUSSCGKSA-N 0 0 341.367 2.582 50 0 EFAARN CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccoc3)O2)CC1 ZINC000299786845 476152746 /nfs/dbraw/zinc/15/27/46/476152746.db2.gz RBIFDORQVIYWEG-KRWDZBQOSA-N 0 0 332.444 2.989 50 0 EFAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2cccc(-c3ncccn3)c2)n1 ZINC000299764574 476152929 /nfs/dbraw/zinc/15/29/29/476152929.db2.gz AYJURJYEBNWNCK-AWEZNQCLSA-N 0 0 335.411 2.775 50 0 EFAARN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc2nsnc2c1 ZINC000390826789 476800513 /nfs/dbraw/zinc/80/05/13/476800513.db2.gz BXYKEAXRXQCIBG-CYBMUJFWSA-N 0 0 343.412 2.709 50 0 EFAARN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc(-c2ccco2)[nH]n1 ZINC000390827731 476801122 /nfs/dbraw/zinc/80/11/22/476801122.db2.gz JNSPJGPEAARZMV-CYBMUJFWSA-N 0 0 341.371 2.688 50 0 EFAARN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc2nsnc2c1 ZINC000390826793 476801179 /nfs/dbraw/zinc/80/11/79/476801179.db2.gz BXYKEAXRXQCIBG-ZDUSSCGKSA-N 0 0 343.412 2.709 50 0 EFAARN Cc1cccc(CC(=O)N2CC(N3CCc4sccc4C3)C2)c1 ZINC000390826543 476801358 /nfs/dbraw/zinc/80/13/58/476801358.db2.gz AGQUCCWITNGXQB-UHFFFAOYSA-N 0 0 326.465 2.868 50 0 EFAARN CCOCC(=O)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826344 476801389 /nfs/dbraw/zinc/80/13/89/476801389.db2.gz IMVVYRBOPKRHQK-UHFFFAOYSA-N 0 0 342.443 2.753 50 0 EFAARN C[C@H](NC(=O)C(=O)NCCc1ccc2c(ccn2C)c1)c1ccccc1 ZINC000390829780 476801928 /nfs/dbraw/zinc/80/19/28/476801928.db2.gz GOUMUKQEGHSTBO-HNNXBMFYSA-N 0 0 349.434 2.714 50 0 EFAARN Cc1ccc(S(=O)(=O)NCc2ccnc(-c3ccncc3)c2)s1 ZINC000390828326 476802318 /nfs/dbraw/zinc/80/23/18/476802318.db2.gz QIBQFDHQWXSSHM-UHFFFAOYSA-N 0 0 345.449 2.992 50 0 EFAARN O=S(=O)(/C=C/c1ccccc1)Nc1cnn(C[C@@H]2CCCCO2)c1 ZINC000390829442 476802358 /nfs/dbraw/zinc/80/23/58/476802358.db2.gz YTJHNSLMZHTMHC-KAMXEHQASA-N 0 0 347.440 2.865 50 0 EFAARN O=C(NCc1nccnc1-c1ccco1)c1cc(=O)c2ccccc2o1 ZINC000390832410 476802725 /nfs/dbraw/zinc/80/27/25/476802725.db2.gz ZHSCDPDICKRWRR-UHFFFAOYSA-N 0 0 347.330 2.773 50 0 EFAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCC(F)(F)CC1 ZINC000390831830 476802879 /nfs/dbraw/zinc/80/28/79/476802879.db2.gz VHVXBYJRMFEGHN-JTQLQIEISA-N 0 0 327.327 2.877 50 0 EFAARN CC(=O)Nc1ccc(C(=O)NCc2nccnc2-c2ccco2)cc1 ZINC000390831156 476803586 /nfs/dbraw/zinc/80/35/86/476803586.db2.gz QDXLTLZDQZZBEA-UHFFFAOYSA-N 0 0 336.351 2.625 50 0 EFAARN O=C(NCC1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCC2 ZINC000375466652 476853029 /nfs/dbraw/zinc/85/30/29/476853029.db2.gz FNPZMQQMIQPBEI-UHFFFAOYSA-N 0 0 336.439 2.612 50 0 EFAARN COc1coc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1=O ZINC000370536919 476860774 /nfs/dbraw/zinc/86/07/74/476860774.db2.gz YKBYPDOXILSDJQ-CQSZACIVSA-N 0 0 327.380 2.914 50 0 EFAARN COC(=O)c1ccc2nc(NC(=O)CCn3cccc3)sc2c1 ZINC000409414060 476984234 /nfs/dbraw/zinc/98/42/34/476984234.db2.gz NAEWGRPNQJOJKR-UHFFFAOYSA-N 0 0 329.381 2.913 50 0 EFAARN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC(Cc2cccnc2)CC1 ZINC000367487180 477542297 /nfs/dbraw/zinc/54/22/97/477542297.db2.gz XGUNQIYWKCLADV-SFHVURJKSA-N 0 0 349.434 2.989 50 0 EFAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1c2c(nn1C)CCCC2 ZINC000426404144 477707322 /nfs/dbraw/zinc/70/73/22/477707322.db2.gz DNEPMVOWPAMVHJ-OAHLLOKOSA-N 0 0 328.416 2.881 50 0 EFAARN CN(C)c1ccccc1-c1ccc([C@H](O)CN2CCOCC2)cc1 ZINC000426419905 477708289 /nfs/dbraw/zinc/70/82/89/477708289.db2.gz DOMFOBLTENNVCJ-HXUWFJFHSA-N 0 0 326.440 2.785 50 0 EFAARN Nc1cc(-c2cccc(Cl)c2Cl)nc(N2CCOCC2)n1 ZINC000426431023 477709025 /nfs/dbraw/zinc/70/90/25/477709025.db2.gz JFPAOQVYSTVPNU-UHFFFAOYSA-N 0 0 325.199 2.869 50 0 EFAARN C[C@@H](Oc1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1)C(N)=O ZINC000426438517 477710624 /nfs/dbraw/zinc/71/06/24/477710624.db2.gz BZJWIWACQNCQRW-CQSZACIVSA-N 0 0 338.407 2.842 50 0 EFAARN COCCN(Cc1ccc(C)cc1)c1cc([C@@H]2CCOC2)ncn1 ZINC000426518868 477711763 /nfs/dbraw/zinc/71/17/63/477711763.db2.gz XZMGYYSKNUWSPT-QGZVFWFLSA-N 0 0 327.428 2.942 50 0 EFAARN Nc1ncnc2ccc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cc12 ZINC000426473561 477711807 /nfs/dbraw/zinc/71/18/07/477711807.db2.gz LDZNSZXJDYLGCS-INIZCTEOSA-N 0 0 348.406 2.788 50 0 EFAARN NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC000426518669 477711846 /nfs/dbraw/zinc/71/18/46/477711846.db2.gz DNELVBGCXMZRRW-CQSZACIVSA-N 0 0 343.814 2.740 50 0 EFAARN Cc1nc[nH]c1CSCCNC(=O)c1ccc2c(c1)CCCO2 ZINC000426518621 477712152 /nfs/dbraw/zinc/71/21/52/477712152.db2.gz AKKQLYGELGJWAL-UHFFFAOYSA-N 0 0 331.441 2.706 50 0 EFAARN Cc1nc2c(NC(=O)N(C)[C@H](C)Cc3cc(C)ccn3)cccn2n1 ZINC000426530566 477715552 /nfs/dbraw/zinc/71/55/52/477715552.db2.gz UPTLPSGVNDZBMG-CYBMUJFWSA-N 0 0 338.415 2.836 50 0 EFAARN Cc1ccccc1-c1noc(CCCC(=O)NCc2ccno2)n1 ZINC000426531022 477715610 /nfs/dbraw/zinc/71/56/10/477715610.db2.gz UJSWFCOJPJIQGL-UHFFFAOYSA-N 0 0 326.356 2.672 50 0 EFAARN Cc1nnc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[nH]1 ZINC000426533768 477715683 /nfs/dbraw/zinc/71/56/83/477715683.db2.gz INNYHUHKPJGRKF-HNNXBMFYSA-N 0 0 340.362 2.620 50 0 EFAARN O=C(NCC[C@@H]1CCOC1)c1ccc(-c2cnn3cccnc23)cc1 ZINC000426533822 477716853 /nfs/dbraw/zinc/71/68/53/477716853.db2.gz SIDNUWQSAKEXHO-CQSZACIVSA-N 0 0 336.395 2.553 50 0 EFAARN Cc1csc([C@H](C)NC(=O)N(C)Cc2[nH]nc3c2CCCC3)n1 ZINC000426533948 477717833 /nfs/dbraw/zinc/71/78/33/477717833.db2.gz YQRJRLFXCFTLQN-NSHDSACASA-N 0 0 333.461 2.956 50 0 EFAARN C[C@@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)N1CCOCC1 ZINC000426544660 477718754 /nfs/dbraw/zinc/71/87/54/477718754.db2.gz FWLRFSLRZNYNKX-NSHDSACASA-N 0 0 340.349 2.894 50 0 EFAARN CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C)nc3C)cc2)C1 ZINC000426544538 477718965 /nfs/dbraw/zinc/71/89/65/477718965.db2.gz WSSFDSRAYRWBOO-GOSISDBHSA-N 0 0 337.423 2.716 50 0 EFAARN Cc1n[nH]c(C)c1CCCNC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000426544402 477719209 /nfs/dbraw/zinc/71/92/09/477719209.db2.gz OUVBLOQFHFOQIP-GOSISDBHSA-N 0 0 342.443 2.742 50 0 EFAARN COc1ccc(-c2ccc(CS(C)(=O)=O)cn2)c2cccnc12 ZINC000426552302 477719700 /nfs/dbraw/zinc/71/97/00/477719700.db2.gz IDKGZEZILPWIFJ-UHFFFAOYSA-N 0 0 328.393 2.850 50 0 EFAARN Cc1nnc([C@H]2CCCN2C(=O)c2cnc(-c3ccccc3)nc2C)[nH]1 ZINC000426550097 477720467 /nfs/dbraw/zinc/72/04/67/477720467.db2.gz VXZUCAVFYJIRRU-MRXNPFEDSA-N 0 0 348.410 2.856 50 0 EFAARN CCCCc1nc(CN2CCN(c3ccccc3OC)C(=O)C2)c[nH]1 ZINC000426551091 477720743 /nfs/dbraw/zinc/72/07/43/477720743.db2.gz IYRGBIHVNMEEJE-UHFFFAOYSA-N 0 0 342.443 2.610 50 0 EFAARN CN(Cc1cc(C2CC2)on1)C(=O)c1ccc(-c2cnc(N)cn2)cc1 ZINC000426551961 477720986 /nfs/dbraw/zinc/72/09/86/477720986.db2.gz KAGLTZUGGDUEIW-UHFFFAOYSA-N 0 0 349.394 2.863 50 0 EFAARN Cc1c(CCNC(=O)N2CCC[C@@H](O)C2)c2cccc3c2n1CCC3 ZINC000426584846 477721555 /nfs/dbraw/zinc/72/15/55/477721555.db2.gz RMMCBCAVESFDLA-MRXNPFEDSA-N 0 0 341.455 2.605 50 0 EFAARN O=C(NCCn1ccc2ccccc21)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000426582906 477722450 /nfs/dbraw/zinc/72/24/50/477722450.db2.gz VRNBHCSYTSDNDD-INIZCTEOSA-N 0 0 337.427 2.954 50 0 EFAARN Cc1nnc([C@@H]2CCCN2C(=O)C(C)(C)Oc2ccc(C)cc2)[nH]1 ZINC000426596470 477723134 /nfs/dbraw/zinc/72/31/34/477723134.db2.gz IZUPHIBIDSJQRD-HNNXBMFYSA-N 0 0 328.416 2.943 50 0 EFAARN CC1=CCN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC1 ZINC000426597411 477724515 /nfs/dbraw/zinc/72/45/15/477724515.db2.gz NIHQZDRSCOJPHS-UHFFFAOYSA-N 0 0 326.421 2.979 50 0 EFAARN COc1ccc([C@@H](NC(=O)c2cc(=O)cc(C)[nH]2)c2ccncc2)cc1 ZINC000426612527 477726285 /nfs/dbraw/zinc/72/62/85/477726285.db2.gz FMSDCGBXQLTFJS-LJQANCHMSA-N 0 0 349.390 2.606 50 0 EFAARN CCc1noc(CCNC(=O)N(C)CCSc2ccccc2)n1 ZINC000426619994 477728093 /nfs/dbraw/zinc/72/80/93/477728093.db2.gz HUQZKVABUZZYSF-UHFFFAOYSA-N 0 0 334.445 2.608 50 0 EFAARN CNC(=O)CCC(C)(C)NC(=O)c1ccc(-c2ncccc2F)cc1 ZINC000426628243 477729091 /nfs/dbraw/zinc/72/90/91/477729091.db2.gz LJBFLEAMEOHBTP-UHFFFAOYSA-N 0 0 343.402 2.922 50 0 EFAARN COc1ccc(OCC2CCN(C(=O)NCCSC)CC2)cc1 ZINC000426646954 477732910 /nfs/dbraw/zinc/73/29/10/477732910.db2.gz BXSUXWSLEGYDLP-UHFFFAOYSA-N 0 0 338.473 2.859 50 0 EFAARN COc1ccnc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000426647877 477733006 /nfs/dbraw/zinc/73/30/06/477733006.db2.gz FFROXQUBTXUKDD-MRXNPFEDSA-N 0 0 343.402 2.624 50 0 EFAARN CCN(C)C(=O)c1ccc(-c2ccc(O[C@H](C)C(N)=O)cc2)cc1 ZINC000426658542 477733635 /nfs/dbraw/zinc/73/36/35/477733635.db2.gz TWKADRNSHWFMNX-CYBMUJFWSA-N 0 0 326.396 2.698 50 0 EFAARN O=C([O-])Cn1ccc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3Cl)C2)n1 ZINC000426667359 477735041 /nfs/dbraw/zinc/73/50/41/477735041.db2.gz JGKHFHHLYMVMMM-GFCCVEGCSA-N 0 0 349.818 2.706 50 0 EFAARN Cc1ccc2[nH]c([C@@H](C)NC(=O)N(C)CCCn3cccn3)nc2c1 ZINC000426674274 477735985 /nfs/dbraw/zinc/73/59/85/477735985.db2.gz NKGYAWQTGUFFEH-CQSZACIVSA-N 0 0 340.431 2.861 50 0 EFAARN O=C([O-])Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000426701601 477740084 /nfs/dbraw/zinc/74/00/84/477740084.db2.gz MHWCQJJBXHREST-MRXNPFEDSA-N 0 0 338.411 2.829 50 0 EFAARN Cc1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2c1 ZINC000426705598 477740314 /nfs/dbraw/zinc/74/03/14/477740314.db2.gz FPFUKVGGKGVNJG-INIZCTEOSA-N 0 0 339.395 2.875 50 0 EFAARN Cc1cc(-c2cccc(C(=O)NCC3CCOCC3)c2)cnc1N ZINC000426737387 477743308 /nfs/dbraw/zinc/74/33/08/477743308.db2.gz KAMFWLFRDOZHCE-UHFFFAOYSA-N 0 0 325.412 2.796 50 0 EFAARN Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2ccc(N)nc2)cc1 ZINC000426728200 477744169 /nfs/dbraw/zinc/74/41/69/477744169.db2.gz GQFUEQKKJRMIEO-UHFFFAOYSA-N 0 0 349.438 3.033 50 0 EFAARN CCOC1CCN(C(=O)c2cccc(-c3nccnc3NC)c2)CC1 ZINC000534578981 478158709 /nfs/dbraw/zinc/15/87/09/478158709.db2.gz CWEYXVPMUGLXBA-UHFFFAOYSA-N 0 0 340.427 2.826 50 0 EFAARN Cc1cccnc1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000534587724 478160751 /nfs/dbraw/zinc/16/07/51/478160751.db2.gz DSNQOEWXKGMPKG-AWEZNQCLSA-N 0 0 326.396 2.971 50 0 EFAARN CC(C)c1cc(CNC(=O)c2cc(=O)n(C)c3ccccc23)no1 ZINC000534587302 478160814 /nfs/dbraw/zinc/16/08/14/478160814.db2.gz PRIBINXDYGMKJS-UHFFFAOYSA-N 0 0 325.368 2.580 50 0 EFAARN CC[C@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 ZINC000534592709 478162257 /nfs/dbraw/zinc/16/22/57/478162257.db2.gz WUGCKDJIASUGIM-KRWDZBQOSA-N 0 0 331.460 2.684 50 0 EFAARN CC(C)c1noc([C@@H]2CCCN(C(=O)NCc3cscn3)C2)n1 ZINC000534634282 478163036 /nfs/dbraw/zinc/16/30/36/478163036.db2.gz WJSPDOHEZDAKEZ-LLVKDONJSA-N 0 0 335.433 2.739 50 0 EFAARN CCCn1cc(CNC(=O)N(C)CC[C@H](O)c2ccccc2)cn1 ZINC000534629986 478163479 /nfs/dbraw/zinc/16/34/79/478163479.db2.gz SGDYAYKPPPVRKU-KRWDZBQOSA-N 0 0 330.432 2.558 50 0 EFAARN CCOc1ccc([C@H](CC)NC(=O)NC2(C(N)=O)CCCC2)cc1 ZINC000534639486 478164597 /nfs/dbraw/zinc/16/45/97/478164597.db2.gz UBTOTRIKNJICSG-HNNXBMFYSA-N 0 0 333.432 2.634 50 0 EFAARN Cc1noc(C)c1CNC(=O)N1CCCC[C@H]1CCn1ccnc1 ZINC000534640839 478164872 /nfs/dbraw/zinc/16/48/72/478164872.db2.gz RPHUXQNVPOOOCD-HNNXBMFYSA-N 0 0 331.420 2.642 50 0 EFAARN Cc1ccc([C@@H](C)NC(=O)N(C)CC2(CO)CCOCC2)c(C)c1 ZINC000534649990 478165483 /nfs/dbraw/zinc/16/54/83/478165483.db2.gz APHJWLDSEIGJMA-MRXNPFEDSA-N 0 0 334.460 2.795 50 0 EFAARN Cc1ncn(C)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000534652445 478166169 /nfs/dbraw/zinc/16/61/69/478166169.db2.gz GCYRXAFIYJBAHE-INIZCTEOSA-N 0 0 346.862 2.949 50 0 EFAARN CCOCCN(C)C(=O)N[C@@H](C)c1cnn(-c2ccccc2F)c1 ZINC000534647944 478166413 /nfs/dbraw/zinc/16/64/13/478166413.db2.gz JSFQYHAXADSZTH-ZDUSSCGKSA-N 0 0 334.395 2.750 50 0 EFAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 ZINC000534662672 478166791 /nfs/dbraw/zinc/16/67/91/478166791.db2.gz LAKUNYUCUACPQD-LJQANCHMSA-N 0 0 348.406 2.843 50 0 EFAARN Cc1ccc(SC2CCN(C(=O)N[C@@H]3CCCNC3=O)CC2)cc1 ZINC000534656664 478166868 /nfs/dbraw/zinc/16/68/68/478166868.db2.gz CHYBWHZHCLYMSR-MRXNPFEDSA-N 0 0 347.484 2.540 50 0 EFAARN CCCSCCNC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000534656058 478167116 /nfs/dbraw/zinc/16/71/16/478167116.db2.gz LBGNWDLYONNFJX-MRXNPFEDSA-N 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/nfs/dbraw/zinc/39/07/66/478390766.db2.gz OVMMDVXHPBCYLH-HNNXBMFYSA-N 0 0 343.818 2.566 50 0 EFAARN CCOc1ccc(NC(=O)c2c(OC)cc(=O)n3c2CCCC3)cc1 ZINC000583648748 478904768 /nfs/dbraw/zinc/90/47/68/478904768.db2.gz FBGKPPQANVKSTD-UHFFFAOYSA-N 0 0 342.395 2.844 50 0 EFAARN COCCOC1CCN(C(=O)[C@@H](C)Nc2c(C)cccc2C)CC1 ZINC000584886988 479270981 /nfs/dbraw/zinc/27/09/81/479270981.db2.gz PUYYDMLPCQHNJU-MRXNPFEDSA-N 0 0 334.460 2.758 50 0 EFAARN CO[C@H]1COCC[C@@H]1NC(=O)CSC12CC3CC(CC(C3)C1)C2 ZINC000584887092 479271080 /nfs/dbraw/zinc/27/10/80/479271080.db2.gz XODLGCQRDGAVFZ-OJYUVLBFSA-N 0 0 339.501 2.609 50 0 EFAARN C[C@H](c1nnc(N)s1)n1cnc2sc3c(c2c1=O)CCCCC3 ZINC000584887287 479271460 /nfs/dbraw/zinc/27/14/60/479271460.db2.gz FUVJASNFYRORCI-MRVPVSSYSA-N 0 0 347.469 2.770 50 0 EFAARN CC[C@@H](NC(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccc(C)n1 ZINC000584885036 479271626 /nfs/dbraw/zinc/27/16/26/479271626.db2.gz KSMFMPVKKQUFTH-MRXNPFEDSA-N 0 0 344.459 2.638 50 0 EFAARN O=C(c1ccc(-c2ccc(C(=O)N3CC(O)C3)cc2)c(F)c1)C1CC1 ZINC000584889281 479272237 /nfs/dbraw/zinc/27/22/37/479272237.db2.gz PHQZWZWBGHRNJU-UHFFFAOYSA-N 0 0 339.366 2.902 50 0 EFAARN CC[C@@H](NC(=O)N(Cc1cccs1)CC(C)C)C(=O)N(C)C ZINC000584890731 479272415 /nfs/dbraw/zinc/27/24/15/479272415.db2.gz RXEDMMQZDUNZEV-CQSZACIVSA-N 0 0 325.478 2.783 50 0 EFAARN Cc1cc(C)n(CCCN(C)C(=O)NCCSc2ccccn2)n1 ZINC000584891181 479272631 /nfs/dbraw/zinc/27/26/31/479272631.db2.gz NCUHTLPXOHRWAO-UHFFFAOYSA-N 0 0 347.488 2.719 50 0 EFAARN Cc1cc(C(=O)N2CCOC3(CCCC3)C2)ccc1N1CCOCC1 ZINC000584889935 479272804 /nfs/dbraw/zinc/27/28/04/479272804.db2.gz SIYHOXRRDZIAJC-UHFFFAOYSA-N 0 0 344.455 2.617 50 0 EFAARN CCOC(=O)c1cc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)c(C)[nH]1 ZINC000584891073 479272814 /nfs/dbraw/zinc/27/28/14/479272814.db2.gz RRUPQAUNOVYPED-HNNXBMFYSA-N 0 0 342.395 2.686 50 0 EFAARN COc1ccccc1CCc1nc(C2CC2)nn1CCc1c[nH]cn1 ZINC000584891299 479272996 /nfs/dbraw/zinc/27/29/96/479272996.db2.gz LCIYQKHHOIJYEL-UHFFFAOYSA-N 0 0 337.427 2.915 50 0 EFAARN COc1ccnc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)c1 ZINC000584889194 479273484 /nfs/dbraw/zinc/27/34/84/479273484.db2.gz ZFRPKKVPBQJMHX-WKILWMFISA-N 0 0 326.396 2.791 50 0 EFAARN CCN(Cc1ccc(C)o1)C(=O)NCCc1noc([C@H]2CCCO2)n1 ZINC000584893518 479273748 /nfs/dbraw/zinc/27/37/48/479273748.db2.gz SCRLQNCNMSCMQJ-CQSZACIVSA-N 0 0 348.403 2.597 50 0 EFAARN COc1ccccc1OC1CN(C(=O)NCc2cc(C(C)C)on2)C1 ZINC000584896366 479274448 /nfs/dbraw/zinc/27/44/48/479274448.db2.gz UEUCYYYPVDSYFY-UHFFFAOYSA-N 0 0 345.399 2.779 50 0 EFAARN Cc1nc(C)n(CCCNC(=O)N2CCCC[C@H]2c2nccs2)n1 ZINC000584893070 479274509 /nfs/dbraw/zinc/27/45/09/479274509.db2.gz PIUPJWRUDDGFEW-AWEZNQCLSA-N 0 0 348.476 2.678 50 0 EFAARN Cc1cnc(CNC(=O)c2cccc(-c3ncnn3C(C)C)c2)cn1 ZINC000584894959 479274529 /nfs/dbraw/zinc/27/45/29/479274529.db2.gz WCOFWDRIRKQWRT-UHFFFAOYSA-N 0 0 336.399 2.554 50 0 EFAARN C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000584899124 479275513 /nfs/dbraw/zinc/27/55/13/479275513.db2.gz 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O=S(=O)(c1ccccc1F)N1CC[C@H](n2cnc3ccccc32)C1 ZINC000585149323 479300851 /nfs/dbraw/zinc/30/08/51/479300851.db2.gz CWYYORDZIZBFJT-ZDUSSCGKSA-N 0 0 345.399 2.811 50 0 EFAARN C=CC(=C(F)C=C(C)F)c1cc2nc3c(=O)[nH]c(=O)n(C)c3nc2o1 ZINC000585152501 479301412 /nfs/dbraw/zinc/30/14/12/479301412.db2.gz RFMAXAZSXVAZSA-WGKMIZOUSA-N 0 0 346.293 2.915 50 0 EFAARN Cc1ccc(NC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)c(Cl)c1 ZINC000585150554 479301777 /nfs/dbraw/zinc/30/17/77/479301777.db2.gz QEUDLLIJEKKMEW-LLVKDONJSA-N 0 0 331.803 2.894 50 0 EFAARN O=S(=O)(CCC(F)(F)F)NCc1ccc(-c2ccoc2)nc1 ZINC000575414556 479441562 /nfs/dbraw/zinc/44/15/62/479441562.db2.gz WUTVBDFSILINKI-UHFFFAOYSA-N 0 0 334.319 2.713 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCc1cncc(-c2cnn(C)c2)c1 ZINC000575414761 479442163 /nfs/dbraw/zinc/44/21/63/479442163.db2.gz OZOLKYFVWYHKFA-CQSZACIVSA-N 0 0 336.395 2.566 50 0 EFAARN CCn1ncc(C)c1NC(=O)c1ccc(N2CCOCC2)c(C)c1 ZINC000618444714 479448611 /nfs/dbraw/zinc/44/86/11/479448611.db2.gz 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Cn1ccc(C2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)n1 ZINC000575617096 479456028 /nfs/dbraw/zinc/45/60/28/479456028.db2.gz YFXSBGVQKGBVSO-UHFFFAOYSA-N 0 0 326.356 2.688 50 0 EFAARN CCc1nc2ccc(C(=O)N[C@H](Cn3cncn3)C(C)C)cc2s1 ZINC000575616529 479456135 /nfs/dbraw/zinc/45/61/35/479456135.db2.gz LTHHNLIOVNCRBG-CQSZACIVSA-N 0 0 343.456 2.905 50 0 EFAARN O=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccccc1F ZINC000575618383 479457098 /nfs/dbraw/zinc/45/70/98/479457098.db2.gz MIRVVFAPCXUVTC-UHFFFAOYSA-N 0 0 332.356 2.959 50 0 EFAARN Cc1cnc(NC(=O)NCc2ccc(-c3ccnn3C)nc2)s1 ZINC000575618581 479457587 /nfs/dbraw/zinc/45/75/87/479457587.db2.gz CODGEIHAFBFMSY-UHFFFAOYSA-N 0 0 328.401 2.569 50 0 EFAARN Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccsc2)CC1 ZINC000575618806 479457696 /nfs/dbraw/zinc/45/76/96/479457696.db2.gz JCLZYVPLVAGMKE-UHFFFAOYSA-N 0 0 342.442 2.585 50 0 EFAARN CCOc1ccc(C(=O)NCc2ccc(-c3ccnn3C)nc2)cc1 ZINC000575618727 479457923 /nfs/dbraw/zinc/45/79/23/479457923.db2.gz BOURWGXLJNQHPJ-UHFFFAOYSA-N 0 0 336.395 2.811 50 0 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Cc1cc2nccc(NC(=O)NCc3ncc(C(C)(C)C)o3)n2n1 ZINC000685943745 550197641 /nfs/dbraw/zinc/19/76/41/550197641.db2.gz QIAUBHLBBWGLNG-UHFFFAOYSA-N 0 0 328.376 2.645 50 0 EFAARN CS[C@H](C)Cc1nc(-c2cc(N)ncc2Br)no1 ZINC000685942527 550197644 /nfs/dbraw/zinc/19/76/44/550197644.db2.gz WAFVCDSZGITPEM-ZCFIWIBFSA-N 0 0 329.223 2.770 50 0 EFAARN O=C(CC1(n2cccc2)CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000263585321 563984045 /nfs/dbraw/zinc/98/40/45/563984045.db2.gz HHZJYAZCPZYPAO-PXNSSMCTSA-N 0 0 346.471 2.538 50 0 biogenic EFAARN CSCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)n1cccc1 ZINC000263586020 563984055 /nfs/dbraw/zinc/98/40/55/563984055.db2.gz PABDGGHZVVETBN-JZXOWHBKSA-N 0 0 336.501 2.936 50 0 biogenic EFAARN O=C(Nc1ccccc1Cl)c1cn(C[C@H](O)c2ccsc2)nn1 ZINC000225582472 564022395 /nfs/dbraw/zinc/02/23/95/564022395.db2.gz OGMBFGQMQIFJPL-AWEZNQCLSA-N 0 0 348.815 2.979 50 0 EFAARN CSCC[C@@H](C(=O)NCc1nc2ccccc2[nH]1)n1cccc1 ZINC000575443332 564079528 /nfs/dbraw/zinc/07/95/28/564079528.db2.gz 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CCCOc1ccccc1-c1nnc(N2CCC[C@H](NC(C)=O)C2)o1 ZINC001772709021 1249295615 /nfs/dbraw/zinc/29/56/15/1249295615.db2.gz HIHPEZMFCCJFKR-AWEZNQCLSA-N 0 0 344.415 2.630 50 0 EFAARN CCN(Cc1c(C)nn(C)c1C)C(=O)c1cnn2cc(C)ccc12 ZINC001772709403 1249296350 /nfs/dbraw/zinc/29/63/50/1249296350.db2.gz HIZMDRPMGTZIHW-UHFFFAOYSA-N 0 0 325.416 2.655 50 0 EFAARN C[C@H]1C(=O)N2CCC[C@H]2CN1c1nc(-c2ccccc2)nc2c1CCC2 ZINC001772709721 1249297487 /nfs/dbraw/zinc/29/74/87/1249297487.db2.gz LKZMHSQMGXZLBF-HOCLYGCPSA-N 0 0 348.450 2.832 50 0 EFAARN CS(=O)(=O)Nc1ccc(-c2cc(OC(F)(F)F)ccc2O)cn1 ZINC001772710408 1249298009 /nfs/dbraw/zinc/29/80/09/1249298009.db2.gz QYYXWGHVMWMSPF-UHFFFAOYSA-N 0 0 348.302 2.724 50 0 EFAARN CCOc1ccc2nc(CN3C[C@@H]4CCCN4C(=O)[C@H]3C)ccc2c1 ZINC001772711095 1249299394 /nfs/dbraw/zinc/29/93/94/1249299394.db2.gz WBWTYMZURTWXHL-PBHICJAKSA-N 0 0 339.439 2.829 50 0 EFAARN Cc1ccc(NC(C)C)c(C(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 ZINC001772710981 1249298975 /nfs/dbraw/zinc/29/89/75/1249298975.db2.gz 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ZINC000618256741 1263288046 /nfs/dbraw/zinc/28/80/46/1263288046.db2.gz MBWLWBKXJCOGGI-INIZCTEOSA-N 0 0 338.245 2.969 50 0 EFAARN COc1ccc(Cl)cc1C(=O)NC[C@@H]1CCCN1c1ncccn1 ZINC000618255928 1263288290 /nfs/dbraw/zinc/28/82/90/1263288290.db2.gz APGSZLMTGGIESN-ZDUSSCGKSA-N 0 0 346.818 2.537 50 0 EFAARN O=C([C@H]1CCOC1)N1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000011785019 1263930646 /nfs/dbraw/zinc/93/06/46/1263930646.db2.gz QIEMGWXWTCFWKA-SJORKVTESA-N 0 0 339.439 2.743 50 0 EFAARN O=C(NC[C@H]1Cc2cc(F)cc(-c3cnccn3)c2O1)C1CCCC1 ZINC000011880815 1264402710 /nfs/dbraw/zinc/40/27/10/1264402710.db2.gz VVSBXKUGYDHAHY-OAHLLOKOSA-N 0 0 341.386 2.893 50 0 EFAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)c1cn(C2CCCCC2)nn1 ZINC000011936087 1264649106 /nfs/dbraw/zinc/64/91/06/1264649106.db2.gz QDVXWCNLGXTMKI-UHFFFAOYSA-N 0 0 342.447 2.657 50 0 EFAARN Cc1c(C(=O)NCc2cncn2CC(C)C)c2cc(O)ccc2n1C ZINC000821502255 1264963180 /nfs/dbraw/zinc/96/31/80/1264963180.db2.gz ZEYXXMLWGQTSQX-UHFFFAOYSA-N 0 0 340.427 2.975 50 0 EFAARN Cc1cc(C)n(C[C@H](C)NCc2nncn2CCc2ccccc2)n1 ZINC000821508408 1264963219 /nfs/dbraw/zinc/96/32/19/1264963219.db2.gz QSFAIDBNPKYIMB-INIZCTEOSA-N 0 0 338.459 2.512 50 0 EFAARN CC(C)c1ccc(N2C[C@@H](C(=O)N(C)CC3(C)COC3)CC2=O)cc1 ZINC000822264142 1265067471 /nfs/dbraw/zinc/06/74/71/1265067471.db2.gz ATHRRHZMHJGAFC-INIZCTEOSA-N 0 0 344.455 2.658 50 0 EFAARN CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1nc2cc(C)ccc2[nH]1 ZINC000822650322 1265109120 /nfs/dbraw/zinc/10/91/20/1265109120.db2.gz DCRBFUAAVCCDDC-GFCCVEGCSA-N 0 0 348.428 2.906 50 0 EFAARN CC[C@H](C(=O)NCC1(OCCO)CCSCC1)c1ccccc1 ZINC000822659822 1265109606 /nfs/dbraw/zinc/10/96/06/1265109606.db2.gz RTRDJNXIDQUGOZ-INIZCTEOSA-N 0 0 337.485 2.571 50 0 EFAARN CC[C@@H](c1nc(Cc2ccc(OC)cc2)nn1CC)N1CCOCC1 ZINC000822663319 1265117552 /nfs/dbraw/zinc/11/75/52/1265117552.db2.gz OVDNJXODLAAYNI-KRWDZBQOSA-N 0 0 344.459 2.681 50 0 EFAARN CC[C@H](NS(=O)(=O)N1CCC(C)CC1)c1nc(C)c(C)s1 ZINC000822668789 1265117934 /nfs/dbraw/zinc/11/79/34/1265117934.db2.gz FTMSJXCBSONJEQ-ZDUSSCGKSA-N 0 0 331.507 2.777 50 0 EFAARN CN1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CCC1=O ZINC000012165308 1265141773 /nfs/dbraw/zinc/14/17/73/1265141773.db2.gz DAFISXFNKOPFME-UHFFFAOYSA-N 0 0 326.371 2.797 50 0 EFAARN CCCCCCOC(=O)[C@@H]1CN1[C@H](Cc1ccccc1)C(=O)OC ZINC000822849632 1265168205 /nfs/dbraw/zinc/16/82/05/1265168205.db2.gz ZYGMIKNTEYHYNG-LIHHCBPRSA-N 0 0 333.428 2.578 50 0 EFAARN CCCCn1nc(-c2ccccc2)nc1[C@@H]1CCCN1S(C)(=O)=O ZINC000822888864 1265175141 /nfs/dbraw/zinc/17/51/41/1265175141.db2.gz MZXAMQDKTMPNQR-HNNXBMFYSA-N 0 0 348.472 2.842 50 0 EFAARN CCCN1C[C@H](NC(=O)Cc2coc3cc(C)cc(C)c23)CC1=O ZINC000822919226 1265180743 /nfs/dbraw/zinc/18/07/43/1265180743.db2.gz UHLOHGAMVFOSHB-OAHLLOKOSA-N 0 0 328.412 2.719 50 0 EFAARN CCCn1cnnc1CNC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000823031330 1265215431 /nfs/dbraw/zinc/21/54/31/1265215431.db2.gz RFMDTZOJLKLGGF-UHFFFAOYSA-N 0 0 347.850 2.872 50 0 EFAARN CCCn1ncc(C(=O)N(C)CCc2ccc(OC)c(OC)c2)c1C ZINC000823032822 1265216137 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ZINC000039389231 213236536 /nfs/dbraw/zinc/23/65/36/213236536.db2.gz UOPWFYDSXVARHA-UHFFFAOYSA-N 0 0 329.429 2.751 50 0 EFAARN COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1cnc2ccccc21 ZINC000001430437 209747954 /nfs/dbraw/zinc/74/79/54/209747954.db2.gz URFFBDGQAMNLDG-OAHLLOKOSA-N 0 0 340.379 2.687 50 0 EFAARN Cc1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc(C)c1O ZINC000039371585 213235164 /nfs/dbraw/zinc/23/51/64/213235164.db2.gz CKDXQVALOJRKPH-LJQANCHMSA-N 0 0 332.488 2.820 50 0 EFAARN Cc1cc(C(F)(F)F)nc(NC(=O)NC(=O)c2cccs2)n1 ZINC000001422266 209745436 /nfs/dbraw/zinc/74/54/36/209745436.db2.gz MDRKOSZZXCBNGX-UHFFFAOYSA-N 0 0 330.291 2.827 50 0 EFAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccc(F)cc3)cc2N)cc1 ZINC000039242602 213232416 /nfs/dbraw/zinc/23/24/16/213232416.db2.gz YVQPJKPVGHQOMG-UHFFFAOYSA-N 0 0 331.372 2.817 50 0 EFAARN COc1cccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000001402000 209740076 /nfs/dbraw/zinc/74/00/76/209740076.db2.gz FFLHANPOTKFFKB-BQYQJAHWSA-N 0 0 347.392 2.514 50 0 EFAARN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001164375 209714352 /nfs/dbraw/zinc/71/43/52/209714352.db2.gz KBGQJYGPGQZLIL-UHFFFAOYSA-N 0 0 338.816 2.599 50 0 EFAARN Cc1cccc(NC(=S)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000001137703 209713528 /nfs/dbraw/zinc/71/35/28/209713528.db2.gz LTPMHZBPAZGQHU-UHFFFAOYSA-N 0 0 329.425 2.743 50 0 EFAARN CCSc1nc2ncc3c(ccn(-c4cccc(F)c4)c3=O)n2n1 ZINC000038783708 213225339 /nfs/dbraw/zinc/22/53/39/213225339.db2.gz FKCUTYUVJBVWSS-UHFFFAOYSA-N 0 0 341.371 2.680 50 0 EFAARN Cc1sc(NC(=O)[C@H]2CCCO2)c(C(N)=O)c1-c1ccccc1 ZINC000001053955 209704584 /nfs/dbraw/zinc/70/45/84/209704584.db2.gz JSVVSUGPYWOVNG-GFCCVEGCSA-N 0 0 330.409 2.940 50 0 EFAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(CCCn2ccnc2)CO1 ZINC000038776614 213225648 /nfs/dbraw/zinc/22/56/48/213225648.db2.gz ZZUQABKUGDPUSQ-UHFFFAOYSA-N 0 0 339.395 2.849 50 0 EFAARN COC(=O)c1cc2c(ccn(Cc3ccccc3OC)c2=O)nc1C ZINC000038784171 213225487 /nfs/dbraw/zinc/22/54/87/213225487.db2.gz IJNHOEOZVLVSPF-UHFFFAOYSA-N 0 0 338.363 2.548 50 0 EFAARN COc1ccc(-c2cc(CNC(=O)Cc3c(C)noc3C)no2)cc1 ZINC000038753650 213223692 /nfs/dbraw/zinc/22/36/92/213223692.db2.gz JAUNRICSERDKHO-UHFFFAOYSA-N 0 0 341.367 2.814 50 0 EFAARN O=C(NCc1cc(-c2cccs2)on1)[C@@H]1COc2ccccc2O1 ZINC000038753881 213223177 /nfs/dbraw/zinc/22/31/77/213223177.db2.gz UNOQVQZJXOFGTM-HNNXBMFYSA-N 0 0 342.376 2.859 50 0 EFAARN O=C(c1ccccc1)N1C[C@@H](O)N(c2ccc(Cl)cc2)C1=S ZINC000001008766 209700475 /nfs/dbraw/zinc/70/04/75/209700475.db2.gz LXTSJPKCJLEAOK-CQSZACIVSA-N 0 0 332.812 2.906 50 0 EFAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(Cl)c2ccccc21 ZINC000000851097 209693142 /nfs/dbraw/zinc/69/31/42/209693142.db2.gz LIYXHTWBPLLFKI-NSHDSACASA-N 0 0 325.817 2.951 50 0 EFAARN O=C(c1c[nH]c2ccccc12)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000038678680 213220476 /nfs/dbraw/zinc/22/04/76/213220476.db2.gz SESNYMQPCRUDHM-KGLIPLIRSA-N 0 0 333.391 2.589 50 0 biogenic EFAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)c(OC)c1 ZINC000000908816 209693744 /nfs/dbraw/zinc/69/37/44/209693744.db2.gz PZMRLKBQFNHVNV-HNNXBMFYSA-N 0 0 348.399 2.673 50 0 EFAARN CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000000617703 209682771 /nfs/dbraw/zinc/68/27/71/209682771.db2.gz KDNCKAPHKVNXQA-UHFFFAOYSA-N 0 0 346.408 2.537 50 0 EFAARN O=C(c1csc(-n2cccc2)n1)N1CCn2c3ccccc3nc21 ZINC000038679065 213220248 /nfs/dbraw/zinc/22/02/48/213220248.db2.gz VMOZRLLTPCOWLF-UHFFFAOYSA-N 0 0 335.392 2.944 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)COc2cccc(C)c2C)n1 ZINC000000798376 209686714 /nfs/dbraw/zinc/68/67/14/209686714.db2.gz DTLBKSCHQZGNOL-UHFFFAOYSA-N 0 0 348.424 2.883 50 0 EFAARN COc1ccc(C)cc1NC(=O)C(=O)N[C@@H](C)Cc1cccs1 ZINC000038566207 213214898 /nfs/dbraw/zinc/21/48/98/213214898.db2.gz VEBCKOVDPPYNTA-LBPRGKRZSA-N 0 0 332.425 2.751 50 0 EFAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000000615500 209680362 /nfs/dbraw/zinc/68/03/62/209680362.db2.gz KOXWYBLNMQWLQU-CYBMUJFWSA-N 0 0 340.379 2.695 50 0 EFAARN CC(C)(C(=O)Nc1cccnc1)n1nc(-c2ccccc2)ccc1=O ZINC000038670947 213219000 /nfs/dbraw/zinc/21/90/00/213219000.db2.gz JARIIUCRBQTBSW-UHFFFAOYSA-N 0 0 334.379 2.679 50 0 EFAARN CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000038666455 213218617 /nfs/dbraw/zinc/21/86/17/213218617.db2.gz LSYMJCYVTBNINJ-ZDUSSCGKSA-N 0 0 343.383 2.971 50 0 EFAARN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1Cl ZINC000038534083 213213138 /nfs/dbraw/zinc/21/31/38/213213138.db2.gz KAPXUZRLJJZKPJ-NSHDSACASA-N 0 0 325.840 2.534 50 0 EFAARN CC(C)n1ccc(-c2nnc(NC(=O)COc3ccccc3F)o2)n1 ZINC000038499499 213212011 /nfs/dbraw/zinc/21/20/11/213212011.db2.gz WWOYGQMBQPVJDH-UHFFFAOYSA-N 0 0 345.334 2.671 50 0 EFAARN Cc1ccc(O)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 ZINC000000608928 209673202 /nfs/dbraw/zinc/67/32/02/209673202.db2.gz HBPAPUXYHLPPHY-UHFFFAOYSA-N 0 0 333.298 2.637 50 0 EFAARN Cc1ccc(C)c(NC(=O)C(=O)NCCOc2ccc(F)cc2)c1 ZINC000038490227 213211103 /nfs/dbraw/zinc/21/11/03/213211103.db2.gz JXFYALBFMJSXIF-UHFFFAOYSA-N 0 0 330.359 2.576 50 0 EFAARN CCCc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000038488122 213210324 /nfs/dbraw/zinc/21/03/24/213210324.db2.gz BTKOJAXZBBTFOD-UHFFFAOYSA-N 0 0 339.317 2.853 50 0 EFAARN CN1CCc2c3ccccc3[nH]c2[C@@H]1C1C(=O)OC(C)(C)OC1=O ZINC000004089765 283172420 /nfs/dbraw/zinc/17/24/20/283172420.db2.gz YACAEIDFENNALU-HNNXBMFYSA-N 0 0 328.368 2.776 50 0 biogenic EFAARN CCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1N ZINC000000509429 209640402 /nfs/dbraw/zinc/64/04/02/209640402.db2.gz DIKLTGYDCIIIBB-UHFFFAOYSA-N 0 0 346.243 2.592 50 0 EFAARN Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1 ZINC000000503462 209637999 /nfs/dbraw/zinc/63/79/99/209637999.db2.gz PCUJQZQIVUTHEA-UHFFFAOYSA-N 0 0 337.412 2.614 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000000500310 209637165 /nfs/dbraw/zinc/63/71/65/209637165.db2.gz COXDUHVXCKQHRJ-LBPRGKRZSA-N 0 0 339.189 2.640 50 0 EFAARN CC(=O)N1[C@@H](c2ccc3c(c2)OCO3)OC(=O)C[C@H]1c1ccccc1 ZINC000000489424 209632509 /nfs/dbraw/zinc/63/25/09/209632509.db2.gz GTCXRHKYOKPUID-HNAYVOBHSA-N 0 0 339.347 2.951 50 0 biogenic EFAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000000467049 209618406 /nfs/dbraw/zinc/61/84/06/209618406.db2.gz QRRLFIXZSVTUKJ-UHFFFAOYSA-N 0 0 344.864 2.653 50 0 EFAARN C[C@@H](C(=O)NC1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000000469062 209620044 /nfs/dbraw/zinc/62/00/44/209620044.db2.gz AEYBIRPFCOINTO-AWEZNQCLSA-N 0 0 338.473 2.680 50 0 EFAARN CN1[C@@H](Cc2cccc(Cl)c2)[C@H](O)c2ccccc2S1(=O)=O ZINC000008992590 283261035 /nfs/dbraw/zinc/26/10/35/283261035.db2.gz CCNDGEDUOKHBAA-GOEBONIOSA-N 0 0 337.828 2.619 50 0 EFAARN O=C(NCc1nc(-c2ccccc2)no1)c1ccc2nsnc2c1 ZINC000036709838 213112706 /nfs/dbraw/zinc/11/27/06/213112706.db2.gz ZUSCPBQVDJKDOC-UHFFFAOYSA-N 0 0 337.364 2.671 50 0 EFAARN Cn1c(-c2nc(C(=O)N3CCC[C@@H](O)C3)cs2)cc2ccccc21 ZINC000036708173 213112596 /nfs/dbraw/zinc/11/25/96/213112596.db2.gz FVEGNCQFGNKYKH-CYBMUJFWSA-N 0 0 341.436 2.899 50 0 EFAARN CCOC(=O)c1cc(=O)[nH]c2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000036644375 213107786 /nfs/dbraw/zinc/10/77/86/213107786.db2.gz BPDKISPSWZFIBB-UHFFFAOYSA-N 0 0 341.342 2.907 50 0 EFAARN CCOc1cc(S(=O)(=O)n2nnc3ccccc32)c(C)cc1C ZINC000036636393 213106505 /nfs/dbraw/zinc/10/65/05/213106505.db2.gz HOMNBLGDOPDIIR-UHFFFAOYSA-N 0 0 331.397 2.684 50 0 EFAARN CCn1ncc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1C ZINC000036616975 213102987 /nfs/dbraw/zinc/10/29/87/213102987.db2.gz HJLMZGGWXOUMCR-UHFFFAOYSA-N 0 0 338.415 2.931 50 0 EFAARN CC(C)[C@H](C(=O)N=c1[nH]c2ccccc2[nH]1)N1Cc2ccccc2C1=O ZINC000036589936 213100641 /nfs/dbraw/zinc/10/06/41/213100641.db2.gz SLVSVKSWOFVASF-QGZVFWFLSA-N 0 0 348.406 2.604 50 0 EFAARN CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O ZINC000036367241 213092012 /nfs/dbraw/zinc/09/20/12/213092012.db2.gz IKMUXWNVYQPHNV-NSHDSACASA-N 0 0 338.477 2.669 50 0 EFAARN COc1cccc(-c2nc(CC(=O)Nc3nncs3)cs2)c1 ZINC000036360918 213090905 /nfs/dbraw/zinc/09/09/05/213090905.db2.gz MTBQCJGQESCPKY-UHFFFAOYSA-N 0 0 332.410 2.851 50 0 EFAARN O=S(=O)(c1ccc(-c2nc(-c3ccccc3)no2)o1)N1CCCC1 ZINC000036366326 213090560 /nfs/dbraw/zinc/09/05/60/213090560.db2.gz FHEJOKCDSQOJAA-UHFFFAOYSA-N 0 0 345.380 2.781 50 0 EFAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC000036360532 213089475 /nfs/dbraw/zinc/08/94/75/213089475.db2.gz QLZDLGCSNUPSFG-UHFFFAOYSA-N 0 0 327.409 2.693 50 0 EFAARN COc1ccc(N2Cc3nc(=O)n(CC4CCCCC4)n3C2=O)cc1 ZINC000036356977 213088975 /nfs/dbraw/zinc/08/89/75/213088975.db2.gz GKJJETOAABYACA-UHFFFAOYSA-N 0 0 342.399 2.622 50 0 EFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCCC1 ZINC000036357047 213088578 /nfs/dbraw/zinc/08/85/78/213088578.db2.gz NQZPQFWMSVILSQ-UHFFFAOYSA-N 0 0 337.420 2.803 50 0 EFAARN COc1ccccc1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000036358405 213088619 /nfs/dbraw/zinc/08/86/19/213088619.db2.gz DTGDTLZDUWCJPF-CYBMUJFWSA-N 0 0 333.413 2.970 50 0 EFAARN CC(C)c1nnc(NC(=O)Cn2sc3ccccc3c2=O)s1 ZINC000036354917 213088664 /nfs/dbraw/zinc/08/86/64/213088664.db2.gz MBFMXLHMWHTIDF-UHFFFAOYSA-N 0 0 334.426 2.677 50 0 EFAARN COc1ccc(-c2nnsc2C(=O)NCc2cccnc2)cc1 ZINC000036354301 213087976 /nfs/dbraw/zinc/08/79/76/213087976.db2.gz XWLSMMGQZRZMMB-UHFFFAOYSA-N 0 0 326.381 2.539 50 0 EFAARN CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)s1 ZINC000036352843 213087987 /nfs/dbraw/zinc/08/79/87/213087987.db2.gz SEKNUNGCWAMHLR-GXTWGEPZSA-N 0 0 344.440 2.820 50 0 EFAARN CC(=O)c1cccc(NS(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000036180637 213075958 /nfs/dbraw/zinc/07/59/58/213075958.db2.gz HUSIHXHCEJZERG-UHFFFAOYSA-N 0 0 337.372 2.849 50 0 EFAARN O=C(c1ccccn1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000070637585 215701433 /nfs/dbraw/zinc/70/14/33/215701433.db2.gz ZTCKXONXKUITTL-UHFFFAOYSA-N 0 0 345.406 2.501 50 0 EFAARN COC(=O)c1cc2c(ccn(CCc3cccs3)c2=O)nc1C ZINC000036125552 213071749 /nfs/dbraw/zinc/07/17/49/213071749.db2.gz FDSUKIJMSZQCJJ-UHFFFAOYSA-N 0 0 328.393 2.796 50 0 EFAARN Cc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)n3)C2=O)cc1 ZINC000000443851 209603114 /nfs/dbraw/zinc/60/31/14/209603114.db2.gz KRWMYBIIZOBSFL-AWEZNQCLSA-N 0 0 327.409 2.826 50 0 EFAARN CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)c2ccccc12 ZINC000036090877 213062155 /nfs/dbraw/zinc/06/21/55/213062155.db2.gz OEJGGDXZCJIBGL-UHFFFAOYSA-N 0 0 348.468 2.565 50 0 EFAARN CCOC(=O)N1CCN(CC(=O)n2c(C)c(C)c3ccccc32)CC1 ZINC000035939845 213051513 /nfs/dbraw/zinc/05/15/13/213051513.db2.gz KSZCINFWBAVSIE-UHFFFAOYSA-N 0 0 343.427 2.672 50 0 EFAARN CCCc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC000035800935 213048399 /nfs/dbraw/zinc/04/83/99/213048399.db2.gz CAJUYNRUVQYELE-UHFFFAOYSA-N 0 0 348.468 2.739 50 0 EFAARN O=CN[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000000442717 209602904 /nfs/dbraw/zinc/60/29/04/209602904.db2.gz UIIFYOGJLZRDHE-MRVPVSSYSA-N 0 0 344.626 2.554 50 0 EFAARN Cc1nnc(-c2cn(CC(=O)NCc3ccco3)c3ccccc23)o1 ZINC000035423103 213026818 /nfs/dbraw/zinc/02/68/18/213026818.db2.gz JGCAAPALXXTLHL-UHFFFAOYSA-N 0 0 336.351 2.909 50 0 EFAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccncc1 ZINC000071283942 215753227 /nfs/dbraw/zinc/75/32/27/215753227.db2.gz SZQFKJQWIYLJDI-UHFFFAOYSA-N 0 0 340.770 2.597 50 0 EFAARN Cn1ccc2c1cccc2NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000071285952 215753842 /nfs/dbraw/zinc/75/38/42/215753842.db2.gz UYLHPOVVHMTOBU-UHFFFAOYSA-N 0 0 346.390 2.606 50 0 EFAARN COc1ccc(-c2c(C(F)(F)F)n[nH]c2N2C(=O)C=CC2=O)cc1 ZINC000035324953 213022049 /nfs/dbraw/zinc/02/20/49/213022049.db2.gz XJKDLGBTXDFVLK-UHFFFAOYSA-N 0 0 337.257 2.534 50 0 EFAARN Cc1nn2cnnc2c(C)c1CCC(=O)NC1CCCCCCC1 ZINC000071287740 215755006 /nfs/dbraw/zinc/75/50/06/215755006.db2.gz MCWVKHBUEYQYHK-UHFFFAOYSA-N 0 0 329.448 2.903 50 0 EFAARN Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)cc1 ZINC000071376376 215764565 /nfs/dbraw/zinc/76/45/65/215764565.db2.gz WLEVBPPDOGGUQU-IJEWVQPXSA-N 0 0 333.457 2.659 50 0 EFAARN COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(O)cc1 ZINC000035170109 213011752 /nfs/dbraw/zinc/01/17/52/213011752.db2.gz SKGPTKYGCKBKJM-QGZVFWFLSA-N 0 0 339.351 2.567 50 0 EFAARN CCCCC(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071416253 215772333 /nfs/dbraw/zinc/77/23/33/215772333.db2.gz 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/nfs/dbraw/zinc/80/60/76/215806076.db2.gz HJFLTSRDIJKWOL-INIZCTEOSA-N 0 0 338.411 2.768 50 0 EFAARN Cc1ccc(Oc2ccc(CN3CC[NH2+][C@H](C(=O)[O-])C3)cc2)cc1C ZINC000071749976 215807978 /nfs/dbraw/zinc/80/79/78/215807978.db2.gz JLBXOUPKGNQYJJ-IBGZPJMESA-N 0 0 340.423 2.954 50 0 EFAARN CC[C@@H]1CN(C(=O)c2ccncc2)CCC(=O)N1Cc1ccccc1 ZINC000071752914 215809822 /nfs/dbraw/zinc/80/98/22/215809822.db2.gz OGMCILHGARONPJ-GOSISDBHSA-N 0 0 337.423 2.735 50 0 EFAARN Cc1cc(C2CCC2)nc(N2CCC3(CC2)CCNC(=O)CC3)n1 ZINC000071752916 215810577 /nfs/dbraw/zinc/81/05/77/215810577.db2.gz MCPVBWYCBPTGOJ-UHFFFAOYSA-N 0 0 328.460 2.939 50 0 EFAARN COCCc1ncc(-c2nccn2Cc2c(F)cccc2F)cn1 ZINC000071760669 215816438 /nfs/dbraw/zinc/81/64/38/215816438.db2.gz LMPWSQJLNDIXIC-UHFFFAOYSA-N 0 0 330.338 2.856 50 0 EFAARN CCN(C)C(=O)c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)nc1 ZINC000071776680 215824746 /nfs/dbraw/zinc/82/47/46/215824746.db2.gz HAYUWVNJGUNCNL-KRWDZBQOSA-N 0 0 343.402 2.891 50 0 EFAARN 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CTWBECQVGHLLQH-IBGZPJMESA-N 0 0 346.427 2.763 50 0 EFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2[nH]ccc21 ZINC000072326209 216152561 /nfs/dbraw/zinc/15/25/61/216152561.db2.gz UBGLRAXFCOZISR-MRXNPFEDSA-N 0 0 348.362 2.897 50 0 biogenic EFAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000072330228 216153503 /nfs/dbraw/zinc/15/35/03/216153503.db2.gz MDCVLQZNFFWSQW-UHFFFAOYSA-N 0 0 349.184 2.948 50 0 EFAARN CN(C)c1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 ZINC000072330041 216153582 /nfs/dbraw/zinc/15/35/82/216153582.db2.gz KBWUDFUGSJZHMI-UHFFFAOYSA-N 0 0 348.349 2.504 50 0 EFAARN C[C@@H](c1nnc2n1CCCCC2)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072329874 216154150 /nfs/dbraw/zinc/15/41/50/216154150.db2.gz OYIZPNUVOTUZLD-AWEZNQCLSA-N 0 0 349.479 2.618 50 0 EFAARN O=C(COC(=O)Cc1ccc(F)cc1)N[C@@H]1CCc2ccccc21 ZINC000072331086 216154727 /nfs/dbraw/zinc/15/47/27/216154727.db2.gz ZQQBOEXGDLHGOL-QGZVFWFLSA-N 0 0 327.355 2.715 50 0 EFAARN COc1cccc([C@H](C)NC(=O)COC(=O)c2ccccc2F)c1 ZINC000072333838 216156087 /nfs/dbraw/zinc/15/60/87/216156087.db2.gz MRCFSVYNLHNZPI-LBPRGKRZSA-N 0 0 331.343 2.869 50 0 EFAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000000224851 209495005 /nfs/dbraw/zinc/49/50/05/209495005.db2.gz KWLBGPKFKOCMAC-UHFFFAOYSA-N 0 0 349.408 2.506 50 0 EFAARN COc1cccc([C@H]2C[C@H](c3cccc(F)c3)n3nnnc3N2)c1 ZINC000000222432 209494586 /nfs/dbraw/zinc/49/45/86/209494586.db2.gz ASRBMUQEZSXELU-HZPDHXFCSA-N 0 0 325.347 2.967 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000201363 209481194 /nfs/dbraw/zinc/48/11/94/209481194.db2.gz LGTFTTJXLPAIBX-UHFFFAOYSA-N 0 0 345.207 2.893 50 0 EFAARN COc1ccc(C(=O)NCCc2nc3ccccc3n2C)cc1OC ZINC000000200971 209480946 /nfs/dbraw/zinc/48/09/46/209480946.db2.gz CTFZHRRAKNKDIG-UHFFFAOYSA-N 0 0 339.395 2.563 50 0 EFAARN CCOc1ccccc1/C=c1/sc2nc(-c3ccccc3)nn2c1=O ZINC000000199520 209480066 /nfs/dbraw/zinc/48/00/66/209480066.db2.gz QPLYNLZENLGVMH-FOWTUZBSSA-N 0 0 349.415 2.764 50 0 EFAARN Cc1ccc(OCC(=O)NCc2ccncc2)c(Br)c1 ZINC000000186299 209471242 /nfs/dbraw/zinc/47/12/42/209471242.db2.gz HRFACMDLMQEMMZ-UHFFFAOYSA-N 0 0 335.201 2.848 50 0 EFAARN COc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl ZINC000000181432 209469536 /nfs/dbraw/zinc/46/95/36/209469536.db2.gz IXSUDQANYSRDBS-UHFFFAOYSA-N 0 0 341.820 2.581 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC(F)F)cc1 ZINC000000190534 209474636 /nfs/dbraw/zinc/47/46/36/209474636.db2.gz RIICZFJCKNTNDW-GFCCVEGCSA-N 0 0 342.367 2.644 50 0 EFAARN Cc1ccc(OCC(=O)OCC(=O)NCCCc2ccccc2)cc1 ZINC000028614122 212627882 /nfs/dbraw/zinc/62/78/82/212627882.db2.gz KFFQERHKSBJCMA-UHFFFAOYSA-N 0 0 341.407 2.666 50 0 EFAARN COc1ccc(C)cc1NC(=O)COC(=O)COc1ccc(C)cc1 ZINC000028614043 212627703 /nfs/dbraw/zinc/62/77/03/212627703.db2.gz XVBJVKAKFHUBDF-UHFFFAOYSA-N 0 0 343.379 2.873 50 0 EFAARN O=C(Oc1ccc(Cl)cc1Cl)c1ccc2c(c1)no[n+]2[O-] ZINC000000161260 209459141 /nfs/dbraw/zinc/45/91/41/209459141.db2.gz MMNNJKCSFDQQMH-UHFFFAOYSA-N 0 0 325.107 2.987 50 0 EFAARN Cc1nn(C)c(C)c1CNC(=O)Cn1ccc2c1cccc2Cl ZINC000072402747 216195197 /nfs/dbraw/zinc/19/51/97/216195197.db2.gz CNYYUXIVMJFWCB-UHFFFAOYSA-N 0 0 330.819 2.961 50 0 EFAARN CC(=O)c1cn(CC(=O)NCc2c(C)nn(C)c2C)c2ccccc12 ZINC000072402949 216195217 /nfs/dbraw/zinc/19/52/17/216195217.db2.gz OTHRNEDTZCFDSG-UHFFFAOYSA-N 0 0 338.411 2.511 50 0 EFAARN Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccncc1 ZINC000072403848 216195877 /nfs/dbraw/zinc/19/58/77/216195877.db2.gz SKZWLLVLTVVRHM-UHFFFAOYSA-N 0 0 349.390 2.769 50 0 EFAARN O=C(CCc1nc2cc(Br)cnc2[nH]1)Nc1ccccn1 ZINC000072404113 216196002 /nfs/dbraw/zinc/19/60/02/216196002.db2.gz FEQAQXRWUPEELS-UHFFFAOYSA-N 0 0 346.188 2.687 50 0 EFAARN CC(=O)C1(c2ccccc2)CCN(C(=O)Cc2cc(C)no2)CC1 ZINC000072406731 216196556 /nfs/dbraw/zinc/19/65/56/216196556.db2.gz AYSQVWFPYWOKEX-UHFFFAOYSA-N 0 0 326.396 2.675 50 0 EFAARN COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)cc(C)[nH]c1=O ZINC000072405871 216196849 /nfs/dbraw/zinc/19/68/49/216196849.db2.gz JQNRWORUUWELES-AWEZNQCLSA-N 0 0 338.363 2.632 50 0 EFAARN COC(=O)C[C@@H]1CN=C(Nc2ccccc2)N(c2ccccc2)C1=O ZINC000072406648 216197272 /nfs/dbraw/zinc/19/72/72/216197272.db2.gz OBBBFHLYAZVQDA-CQSZACIVSA-N 0 0 337.379 2.681 50 0 EFAARN COCCn1cc(C(=O)Nc2nc(C)cs2)c2ccccc2c1=O ZINC000072402093 216193983 /nfs/dbraw/zinc/19/39/83/216193983.db2.gz JHPODJUQPMNNSI-UHFFFAOYSA-N 0 0 343.408 2.665 50 0 EFAARN Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccccn1 ZINC000072403435 216194596 /nfs/dbraw/zinc/19/45/96/216194596.db2.gz WLLREKUMYAJWSI-UHFFFAOYSA-N 0 0 349.390 2.769 50 0 EFAARN Cn1ccc2c1cccc2NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000072403094 216194915 /nfs/dbraw/zinc/19/49/15/216194915.db2.gz KLJSJWIANHHETA-UHFFFAOYSA-N 0 0 332.363 2.678 50 0 EFAARN Cc1nnsc1-c1nnc2sc(-c3cccc(F)c3F)nn21 ZINC000072402900 216194972 /nfs/dbraw/zinc/19/49/72/216194972.db2.gz JTLWEQCFNZNPBO-UHFFFAOYSA-N 0 0 336.352 2.958 50 0 EFAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000000119651 209433910 /nfs/dbraw/zinc/43/39/10/209433910.db2.gz VLZZNKOSEJAKSW-GFCCVEGCSA-N 0 0 329.352 2.888 50 0 biogenic EFAARN COc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)c(OC)c1 ZINC000000117754 209433188 /nfs/dbraw/zinc/43/31/88/209433188.db2.gz NZPHKFPGFWDMST-SFHVURJKSA-N 0 0 327.380 2.748 50 0 biogenic EFAARN COCc1cc(N(C)Cc2[nH]nc3c2CCCCC3)n2nccc2n1 ZINC000072409773 216200898 /nfs/dbraw/zinc/20/08/98/216200898.db2.gz IOFPENDNGHNPPA-UHFFFAOYSA-N 0 0 340.431 2.504 50 0 EFAARN Cc1nn2c(nc(C)cc2N(C)Cc2nc(-c3cccnc3)no2)c1C ZINC000072409520 216200989 /nfs/dbraw/zinc/20/09/89/216200989.db2.gz VUXRLNONRLENSA-UHFFFAOYSA-N 0 0 349.398 2.736 50 0 EFAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OCC ZINC000000132742 209442067 /nfs/dbraw/zinc/44/20/67/209442067.db2.gz LSDXAGVUMQYERA-OAHLLOKOSA-N 0 0 328.372 2.529 50 0 EFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)cc1 ZINC000000126507 209438254 /nfs/dbraw/zinc/43/82/54/209438254.db2.gz LLIATWXJDIGTLR-UHFFFAOYSA-N 0 0 329.360 2.532 50 0 EFAARN Cc1cc(C)n(C2CN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)n1 ZINC000072408803 216199183 /nfs/dbraw/zinc/19/91/83/216199183.db2.gz YRUXZOMMVGTLIW-UHFFFAOYSA-N 0 0 341.455 2.901 50 0 EFAARN CCc1cc(NCc2noc(Cc3ccccc3)n2)n2nccc2n1 ZINC000072417749 216206662 /nfs/dbraw/zinc/20/66/62/216206662.db2.gz NXWHPOSUAQHYSU-UHFFFAOYSA-N 0 0 334.383 2.878 50 0 EFAARN CCc1cc(N2CCN(c3cc(C)cc(C)c3)C(=O)C2)n2nccc2n1 ZINC000072410342 216202398 /nfs/dbraw/zinc/20/23/98/216202398.db2.gz NEQBSADAVDMKMZ-UHFFFAOYSA-N 0 0 349.438 2.762 50 0 EFAARN CSCCCNc1nc(CC2CC2)nc2c1CCN(C(C)=O)CC2 ZINC000072411871 216203490 /nfs/dbraw/zinc/20/34/90/216203490.db2.gz JZGJEFSKGCVYQA-UHFFFAOYSA-N 0 0 348.516 2.541 50 0 EFAARN Cc1cccnc1NCCNC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072411574 216204127 /nfs/dbraw/zinc/20/41/27/216204127.db2.gz XAYMVWBQMBJEHS-UHFFFAOYSA-N 0 0 341.455 2.935 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)c1C ZINC000000079694 209406013 /nfs/dbraw/zinc/40/60/13/209406013.db2.gz FPPGUPMYSBLPDZ-UHFFFAOYSA-N 0 0 349.408 2.519 50 0 EFAARN CCO[C@H]1COC[C@@H]1Nc1cc(-c2ccccc2)nc2cc(C)nn21 ZINC000072424340 216213192 /nfs/dbraw/zinc/21/31/92/216213192.db2.gz PSYQOHCIJLUIFL-IRXDYDNUSA-N 0 0 338.411 2.921 50 0 EFAARN Cc1c[nH]c(CN(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1 ZINC000072420115 216208840 /nfs/dbraw/zinc/20/88/40/216208840.db2.gz AEBDCLXUXYWWGJ-UHFFFAOYSA-N 0 0 337.427 2.852 50 0 EFAARN Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)cc1 ZINC000000090490 209413287 /nfs/dbraw/zinc/41/32/87/209413287.db2.gz KSBCJHNPMZHFGA-UHFFFAOYSA-N 0 0 326.381 2.651 50 0 EFAARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCC[C@H](C(N)=O)C2)c1C ZINC000072422109 216210402 /nfs/dbraw/zinc/21/04/02/216210402.db2.gz DLQPIYQPGCJODY-INIZCTEOSA-N 0 0 349.438 2.715 50 0 EFAARN Cc1nn2c(nc(C)cc2NCc2cccc(C(=O)N(C)C)c2)c1C ZINC000072421558 216210483 /nfs/dbraw/zinc/21/04/83/216210483.db2.gz LCBZODLZDRYIEX-UHFFFAOYSA-N 0 0 337.427 2.968 50 0 EFAARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCC[C@@H](C(N)=O)C2)c1C ZINC000072422110 216210637 /nfs/dbraw/zinc/21/06/37/216210637.db2.gz DLQPIYQPGCJODY-MRXNPFEDSA-N 0 0 349.438 2.715 50 0 EFAARN O=C(Nc1cccnc1)[C@H]1CN(Cc2ccc(Cl)s2)CCO1 ZINC000072422607 216211291 /nfs/dbraw/zinc/21/12/91/216211291.db2.gz KZQQBHCSFGSRIB-CYBMUJFWSA-N 0 0 337.832 2.636 50 0 EFAARN Cc1cc(CC(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)on1 ZINC000072424080 216213149 /nfs/dbraw/zinc/21/31/49/216213149.db2.gz BUFIWKBPWXGLPN-UHFFFAOYSA-N 0 0 342.374 2.947 50 0 EFAARN CC(C)(O)CCc1ccc(C(=O)NCc2ncc3c(n2)CCC3)cc1 ZINC000072425502 216216687 /nfs/dbraw/zinc/21/66/87/216216687.db2.gz KKCKGCSXKAHKSL-UHFFFAOYSA-N 0 0 339.439 2.599 50 0 EFAARN CC(C)(O)CCc1ccc(C(=O)NCc2noc(C3CC3)n2)cc1 ZINC000072425828 216216728 /nfs/dbraw/zinc/21/67/28/216216728.db2.gz RLOXVSDNDYGVMX-UHFFFAOYSA-N 0 0 329.400 2.581 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2csc(C)n2)[C@H](C)C1 ZINC000072426717 216217455 /nfs/dbraw/zinc/21/74/55/216217455.db2.gz VFFRKYBWPLAZDH-GFCCVEGCSA-N 0 0 331.441 2.811 50 0 EFAARN CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000000068618 209399093 /nfs/dbraw/zinc/39/90/93/209399093.db2.gz XKMWQNGNOOMEFO-UHFFFAOYSA-N 0 0 335.429 2.707 50 0 EFAARN COCCN1CCC[C@]2(CCN(c3ccc4ccccc4n3)C2)C1=O ZINC000072424348 216213814 /nfs/dbraw/zinc/21/38/14/216213814.db2.gz QPVJFTDVWVAZME-HXUWFJFHSA-N 0 0 339.439 2.700 50 0 EFAARN CCOC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000000065839 209397586 /nfs/dbraw/zinc/39/75/86/209397586.db2.gz FNSJDGCEEKOGKK-UHFFFAOYSA-N 0 0 340.408 2.985 50 0 EFAARN O=C1CCC(=O)N1c1ccc(-c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000000064607 209397060 /nfs/dbraw/zinc/39/70/60/209397060.db2.gz WAWOHUZBXXTKSM-UHFFFAOYSA-N 0 0 348.358 2.660 50 0 EFAARN Cc1ccc(NC(=O)COC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000000064447 209397127 /nfs/dbraw/zinc/39/71/27/209397127.db2.gz HIZSVPKKFQUMHZ-UHFFFAOYSA-N 0 0 345.424 2.676 50 0 EFAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000065458 209396809 /nfs/dbraw/zinc/39/68/09/209396809.db2.gz AONDHMJSSLCEDV-MRXNPFEDSA-N 0 0 332.367 2.601 50 0 EFAARN Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1 ZINC000000062973 209395505 /nfs/dbraw/zinc/39/55/05/209395505.db2.gz KIRNBQAQITVWQW-NVXWUHKLSA-N 0 0 340.379 2.568 50 0 EFAARN O=C(c1ccncc1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000000052090 209391316 /nfs/dbraw/zinc/39/13/16/209391316.db2.gz HBARWKVUQFXPDM-RISCZKNCSA-N 0 0 327.306 2.725 50 0 EFAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)N1CCCCC1 ZINC000000050129 209390904 /nfs/dbraw/zinc/39/09/04/209390904.db2.gz VWJGBMHODWNMKP-UHFFFAOYSA-N 0 0 327.413 2.611 50 0 EFAARN COC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000000051105 209390177 /nfs/dbraw/zinc/39/01/77/209390177.db2.gz JSRVALZWBDMVCZ-UHFFFAOYSA-N 0 0 346.408 2.826 50 0 EFAARN Cc1cc2nc(-c3ccccc3)cc(NCCCn3ccnn3)n2n1 ZINC000072425585 216215958 /nfs/dbraw/zinc/21/59/58/216215958.db2.gz YMBZZRNRAJBZIL-UHFFFAOYSA-N 0 0 333.399 2.798 50 0 EFAARN O=C(c1ccccc1F)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000000048804 209389090 /nfs/dbraw/zinc/38/90/90/209389090.db2.gz YOSNYEFLNVJNHR-UHFFFAOYSA-N 0 0 330.334 2.563 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1nc2ccccc2[nH]1 ZINC000000047623 209388829 /nfs/dbraw/zinc/38/88/29/209388829.db2.gz DGLOKGVZKDWYBY-SOFGYWHQSA-N 0 0 335.363 2.664 50 0 biogenic EFAARN CCOc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000000045199 209388566 /nfs/dbraw/zinc/38/85/66/209388566.db2.gz HTPVYTHBOJNVPY-LBPRGKRZSA-N 0 0 338.363 2.709 50 0 EFAARN COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000044332 209387055 /nfs/dbraw/zinc/38/70/55/209387055.db2.gz XSEQFOPIESHRPL-LBPRGKRZSA-N 0 0 328.343 2.826 50 0 EFAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000044333 209386618 /nfs/dbraw/zinc/38/66/18/209386618.db2.gz XSEQFOPIESHRPL-GFCCVEGCSA-N 0 0 328.343 2.826 50 0 EFAARN O=C(c1ncccc1O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072425864 216216567 /nfs/dbraw/zinc/21/65/67/216216567.db2.gz ADHKHPGDVMHASN-CYBMUJFWSA-N 0 0 330.359 2.858 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H](O)C1CCCCC1 ZINC000072428350 216219268 /nfs/dbraw/zinc/21/92/68/216219268.db2.gz FANGYPIRDGWUPD-GOSISDBHSA-N 0 0 327.428 2.772 50 0 EFAARN O=C(c1csc(-c2cccnc2)n1)N1CCC(c2ncc[nH]2)CC1 ZINC000072429112 216220182 /nfs/dbraw/zinc/22/01/82/216220182.db2.gz HXECWIUIAGNRAD-UHFFFAOYSA-N 0 0 339.424 2.948 50 0 EFAARN CC(C)(O)CCc1ccc(C(=O)NC[C@H](O)c2ccccc2F)cc1 ZINC000072429465 216220603 /nfs/dbraw/zinc/22/06/03/216220603.db2.gz HWPUWMSNSOLVEH-SFHVURJKSA-N 0 0 345.414 2.993 50 0 EFAARN CSCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC000072433864 216228441 /nfs/dbraw/zinc/22/84/41/216228441.db2.gz CFBWNDKJYRZYAY-DLBZAZTESA-N 0 0 346.496 2.893 50 0 EFAARN Cc1ccc(N2CCO[C@@H](C(=O)Nc3cccc(C(C)C)c3)C2)nn1 ZINC000072431155 216223790 /nfs/dbraw/zinc/22/37/90/216223790.db2.gz OUTHLUUVJDCTKV-QGZVFWFLSA-N 0 0 340.427 2.752 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)NCc2cn3c(n2)SCC3)c1 ZINC000072431008 216223833 /nfs/dbraw/zinc/22/38/33/216223833.db2.gz CNFSGACMOZCFTR-UHFFFAOYSA-N 0 0 345.468 2.622 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)NCCNc2cccnc2)c1 ZINC000072432149 216224975 /nfs/dbraw/zinc/22/49/75/216224975.db2.gz IPJOJAWCAOBTMX-UHFFFAOYSA-N 0 0 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Cc1cc(C)cc(OCC(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000027580594 212566178 /nfs/dbraw/zinc/56/61/78/212566178.db2.gz CXAIJKBKGFPGKU-UHFFFAOYSA-N 0 0 326.352 2.652 50 0 EFAARN COc1cccc(C)c1NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCCC2)C1 ZINC000072481420 216262129 /nfs/dbraw/zinc/26/21/29/216262129.db2.gz MDBBIOCBXZMALP-LSDHHAIUSA-N 0 0 345.443 2.916 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3ccccc32)n1 ZINC000026107051 212506922 /nfs/dbraw/zinc/50/69/22/212506922.db2.gz RPUWMTOMNGSIEA-UHFFFAOYSA-N 0 0 343.408 2.842 50 0 EFAARN C[C@]1(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCO1 ZINC000176047461 239299881 /nfs/dbraw/zinc/29/98/81/239299881.db2.gz FQXUKZUIKDUBDH-MVHVFESUSA-N 0 0 343.471 2.596 50 0 EFAARN CNC(=O)c1ccc([C@@H]2CCCN2C(=O)COc2ccccc2)s1 ZINC000023581976 212384563 /nfs/dbraw/zinc/38/45/63/212384563.db2.gz OZNCPKSJLUIXAT-AWEZNQCLSA-N 0 0 344.436 2.850 50 0 EFAARN CCCc1nnc(NC(=O)N2CCC[C@H](OCc3ccccc3)C2)[nH]1 ZINC000023478154 212378959 /nfs/dbraw/zinc/37/89/59/212378959.db2.gz IOOUOZQTOGEOPU-HNNXBMFYSA-N 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/nfs/dbraw/zinc/32/20/17/212322017.db2.gz GKYWQXURPMZHQN-KRWDZBQOSA-N 0 0 348.443 2.619 50 0 EFAARN CCOc1ccc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)cc1 ZINC000022722887 212319113 /nfs/dbraw/zinc/31/91/13/212319113.db2.gz TUCUFDCIZZLRCQ-UHFFFAOYSA-N 0 0 340.354 2.585 50 0 EFAARN COc1ccccc1[C@H](CNC(=O)COc1ccccc1C)N(C)C ZINC000022679090 212316013 /nfs/dbraw/zinc/31/60/13/212316013.db2.gz ZDXUAQDMGVFJDU-KRWDZBQOSA-N 0 0 342.439 2.802 50 0 EFAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1(c2cccs2)CC1 ZINC000022682640 212315584 /nfs/dbraw/zinc/31/55/84/212315584.db2.gz KBSHNLQSILGCIB-UHFFFAOYSA-N 0 0 344.436 2.852 50 0 EFAARN C[C@@](O)(CNS(=O)(=O)Cc1ccccc1Cl)c1cccs1 ZINC000075156061 216588230 /nfs/dbraw/zinc/58/82/30/216588230.db2.gz DIMVKNIMMRNAKN-CQSZACIVSA-N 0 0 345.873 2.729 50 0 EFAARN C[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000022480496 212300908 /nfs/dbraw/zinc/30/09/08/212300908.db2.gz NHPKMQDZWIYWIZ-LBPRGKRZSA-N 0 0 347.342 2.517 50 0 EFAARN COC(=O)N1CCc2ccccc2[C@H]1C(=O)NCc1cccs1 ZINC000075165714 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HWHFHPJENREQAX-UHFFFAOYSA-N 0 0 334.750 2.515 50 0 EFAARN COc1nccnc1-c1cccc(-c2ccn(Cc3noc(C)n3)n2)c1 ZINC000020516049 212142525 /nfs/dbraw/zinc/14/25/25/212142525.db2.gz NACOIHXKTAJBNU-UHFFFAOYSA-N 0 0 348.366 2.755 50 0 EFAARN O=C1SCC[C@@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000020512704 212142038 /nfs/dbraw/zinc/14/20/38/212142038.db2.gz IYQCHHZXEXMADL-ZDUSSCGKSA-N 0 0 347.417 2.896 50 0 EFAARN COc1cccc2c1ccn2CCC(=O)N[C@H](CO)c1ccccc1 ZINC000252487046 243785005 /nfs/dbraw/zinc/78/50/05/243785005.db2.gz HRBUWEYBDJSEOR-QGZVFWFLSA-N 0 0 338.407 2.890 50 0 EFAARN Cc1nnsc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000253471020 243992334 /nfs/dbraw/zinc/99/23/34/243992334.db2.gz AMAADGPFHOIZJM-SECBINFHSA-N 0 0 347.425 2.588 50 0 EFAARN O=C(c1ccc(Oc2nccs2)cc1)N1CC[C@H](n2nccn2)C1 ZINC000253472798 243996020 /nfs/dbraw/zinc/99/60/20/243996020.db2.gz PKBFRCSTVCXWGO-ZDUSSCGKSA-N 0 0 341.396 2.614 50 0 EFAARN O=C(N[C@H]1C[C@H](c2cc(=O)[nH]c(C3CC3)n2)C1)c1cccn1C1CC1 ZINC000253534888 244006605 /nfs/dbraw/zinc/00/66/05/244006605.db2.gz QHRZDBGEYRMEFA-JOCQHMNTSA-N 0 0 338.411 2.872 50 0 EFAARN Cc1ccc(CC(=O)N[C@@H]2C[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1C ZINC000253535394 244010311 /nfs/dbraw/zinc/01/03/11/244010311.db2.gz OCMHGUDFVIQCSV-IYBDPMFKSA-N 0 0 325.412 2.712 50 0 EFAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCOCC1 ZINC000020435654 212129332 /nfs/dbraw/zinc/12/93/32/212129332.db2.gz OMQBYOLXCHPBOQ-HWKANZROSA-N 0 0 343.254 2.845 50 0 EFAARN COc1ccc([C@@](O)(CCN2CCOCC2)c2ccccc2)cc1 ZINC000020444432 212128623 /nfs/dbraw/zinc/12/86/23/212128623.db2.gz HIXITYNFFXCAKX-HXUWFJFHSA-N 0 0 327.424 2.653 50 0 EFAARN CCOC(=O)N1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000020412470 212127368 /nfs/dbraw/zinc/12/73/68/212127368.db2.gz XFDFQYVXZXVAAA-UHFFFAOYSA-N 0 0 344.411 2.684 50 0 biogenic EFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000020402171 212125628 /nfs/dbraw/zinc/12/56/28/212125628.db2.gz XDHBBQIXZPIAEB-QGZVFWFLSA-N 0 0 344.361 2.886 50 0 EFAARN COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000020343572 212121816 /nfs/dbraw/zinc/12/18/16/212121816.db2.gz DEFUMJNXTCIXCN-UHFFFAOYSA-N 0 0 332.356 2.556 50 0 EFAARN Cc1cc(NC(=O)[C@H]2CCCO2)c(NC(=O)[C@@H]2CCCO2)cc1C ZINC000020344605 212121491 /nfs/dbraw/zinc/12/14/91/212121491.db2.gz DRHFZKUOUBHQTD-IYBDPMFKSA-N 0 0 332.400 2.538 50 0 EFAARN Cc1ccc(CN2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000020367237 212123371 /nfs/dbraw/zinc/12/33/71/212123371.db2.gz GTUOEBMAZNLWGH-UHFFFAOYSA-N 0 0 329.488 2.562 50 0 EFAARN Fc1cccc(CN2CCN(C(=S)NCc3ccco3)CC2)c1 ZINC000020362786 212122536 /nfs/dbraw/zinc/12/25/36/212122536.db2.gz NJCVXPWFTMUHFG-UHFFFAOYSA-N 0 0 333.432 2.611 50 0 EFAARN Cc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NCc1cc(C(C)C)no1 ZINC000020363848 212122149 /nfs/dbraw/zinc/12/21/49/212122149.db2.gz QCTOJXWJYGOGOM-AWEZNQCLSA-N 0 0 327.384 2.849 50 0 EFAARN CCn1c2ccccc2n(C[C@H](O)COc2ccccc2C)c1=N ZINC000020289002 212116610 /nfs/dbraw/zinc/11/66/10/212116610.db2.gz MOXRGWGGTGMNCJ-HNNXBMFYSA-N 0 0 325.412 2.690 50 0 EFAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000020279907 212116114 /nfs/dbraw/zinc/11/61/14/212116114.db2.gz LHQPKUCSRBQLEO-QGZVFWFLSA-N 0 0 344.361 2.886 50 0 EFAARN COc1ccccc1CC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000020274815 212115732 /nfs/dbraw/zinc/11/57/32/212115732.db2.gz DRWUEIKSLAWXTF-UHFFFAOYSA-N 0 0 338.451 2.625 50 0 EFAARN CCOc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F ZINC000020251848 212115110 /nfs/dbraw/zinc/11/51/10/212115110.db2.gz XMPVRRHIAZCJKA-GFCCVEGCSA-N 0 0 330.359 2.981 50 0 EFAARN CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000020230989 212113971 /nfs/dbraw/zinc/11/39/71/212113971.db2.gz KKXWTUYDLQVOOO-FQEVSTJZSA-N 0 0 338.451 2.936 50 0 EFAARN COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020230758 212113857 /nfs/dbraw/zinc/11/38/57/212113857.db2.gz FVMXNXMOUWFRMQ-UHFFFAOYSA-N 0 0 334.416 2.526 50 0 EFAARN CCCCc1n[nH]c2c1CN(C(=O)Cn1nc(C)c(Cl)c1C)CC2 ZINC000020168675 212108414 /nfs/dbraw/zinc/10/84/14/212108414.db2.gz DWICHIVSHNRHDP-UHFFFAOYSA-N 0 0 349.866 2.804 50 0 EFAARN CCOC(=O)NC(NCc1cccnc1)(C(F)(F)F)C(F)(F)F ZINC000020167871 212108217 /nfs/dbraw/zinc/10/82/17/212108217.db2.gz XTVMGTDHADUENN-UHFFFAOYSA-N 0 0 345.243 2.738 50 0 EFAARN Cc1ncsc1Cn1ncc(N(C)Cc2ccccc2)cc1=O ZINC000020149106 212106801 /nfs/dbraw/zinc/10/68/01/212106801.db2.gz OWKWFIJOBOPYAB-UHFFFAOYSA-N 0 0 326.425 2.693 50 0 EFAARN CCCOc1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 ZINC000020119927 212103719 /nfs/dbraw/zinc/10/37/19/212103719.db2.gz KDTHCTRGKCIPJP-UHFFFAOYSA-N 0 0 340.423 2.993 50 0 EFAARN CCOC(=O)Cn1c2ccccc2n(Cc2ccccc2F)c1=N ZINC000020057939 212098691 /nfs/dbraw/zinc/09/86/91/212098691.db2.gz KNGMPKXLJRYQNI-UHFFFAOYSA-N 0 0 327.359 2.673 50 0 EFAARN COC(=O)c1cc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)ncn1 ZINC000077354064 216879892 /nfs/dbraw/zinc/87/98/92/216879892.db2.gz BFHLNFINDKUZNI-UHFFFAOYSA-N 0 0 342.786 2.961 50 0 EFAARN O=C(NC1CCCC1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000077378597 216887156 /nfs/dbraw/zinc/88/71/56/216887156.db2.gz GRLAKIQIQGKWMD-AWEZNQCLSA-N 0 0 327.388 2.921 50 0 EFAARN CCn1ccc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)n1 ZINC000077358691 216882622 /nfs/dbraw/zinc/88/26/22/216882622.db2.gz ODZJETFXQWVWTQ-KRWDZBQOSA-N 0 0 339.439 2.957 50 0 EFAARN CC(=O)c1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)s1 ZINC000019953194 212089730 /nfs/dbraw/zinc/08/97/30/212089730.db2.gz DXRLWSDGTBKHGD-UHFFFAOYSA-N 0 0 325.393 2.967 50 0 EFAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000077375590 216885908 /nfs/dbraw/zinc/88/59/08/216885908.db2.gz RENVCANBYFSJCC-IBGZPJMESA-N 0 0 349.390 2.671 50 0 EFAARN CCc1nc(N)sc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000077374941 216886187 /nfs/dbraw/zinc/88/61/87/216886187.db2.gz HUPSJBDTFGKSLP-ZDUSSCGKSA-N 0 0 346.456 2.504 50 0 EFAARN Cc1c(C(=O)N2CCCCC2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911064 212082436 /nfs/dbraw/zinc/08/24/36/212082436.db2.gz VXTQRQUFFDUFOY-UHFFFAOYSA-N 0 0 336.342 2.803 50 0 EFAARN CCCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000019909520 212082857 /nfs/dbraw/zinc/08/28/57/212082857.db2.gz ITZBAPRCMWYWCM-UHFFFAOYSA-N 0 0 347.864 2.930 50 0 EFAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(-n2cccn2)nc1 ZINC000019911021 212082534 /nfs/dbraw/zinc/08/25/34/212082534.db2.gz DXABHAXPEGXPBG-UHFFFAOYSA-N 0 0 336.351 2.696 50 0 EFAARN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2)c(Cl)c1 ZINC000019931639 212086040 /nfs/dbraw/zinc/08/60/40/212086040.db2.gz RIKNOYYSPLHELO-UHFFFAOYSA-N 0 0 338.816 2.642 50 0 EFAARN O=C(c1c(F)cccc1F)N1CCN(CCOc2ccccc2)CC1 ZINC000019924746 212084930 /nfs/dbraw/zinc/08/49/30/212084930.db2.gz GBHDHHSLURDGHH-UHFFFAOYSA-N 0 0 346.377 2.802 50 0 EFAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC(C)C)cc1 ZINC000019893892 212079332 /nfs/dbraw/zinc/07/93/32/212079332.db2.gz HRZYNXFXYZWMLM-QGOAFFKASA-N 0 0 338.407 2.991 50 0 biogenic EFAARN CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000019902266 212082137 /nfs/dbraw/zinc/08/21/37/212082137.db2.gz UQAXUCUWRGVLAW-UHFFFAOYSA-N 0 0 346.471 2.850 50 0 EFAARN CCOC(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1 ZINC000019911017 212082275 /nfs/dbraw/zinc/08/22/75/212082275.db2.gz GQWSVJPDHNREHY-UHFFFAOYSA-N 0 0 336.351 2.696 50 0 EFAARN CCNC(=S)Nn1c(=O)c2ccccc2nc1-c1ccc(C)cc1 ZINC000019897565 212080992 /nfs/dbraw/zinc/08/09/92/212080992.db2.gz ZUCUYBFQLSBQCB-UHFFFAOYSA-N 0 0 338.436 2.810 50 0 EFAARN Cc1ccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000019902146 212080806 /nfs/dbraw/zinc/08/08/06/212080806.db2.gz FWUBCHUHIFJLLV-UHFFFAOYSA-N 0 0 346.471 2.525 50 0 EFAARN Cc1nc(NC(=O)CN2CCN(c3ccccc3)CC2)sc1C ZINC000019852583 212076159 /nfs/dbraw/zinc/07/61/59/212076159.db2.gz WIXDKJMKEZIZLF-UHFFFAOYSA-N 0 0 330.457 2.521 50 0 EFAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1 ZINC000019851968 212075987 /nfs/dbraw/zinc/07/59/87/212075987.db2.gz KNCPJGZYTDHNPW-UHFFFAOYSA-N 0 0 345.207 2.801 50 0 EFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1 ZINC000077471630 216913992 /nfs/dbraw/zinc/91/39/92/216913992.db2.gz QDAWYSXONYLVPY-LLVKDONJSA-N 0 0 328.796 2.595 50 0 EFAARN CCOC(=O)C[C@H]1CCCCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000077485574 216916200 /nfs/dbraw/zinc/91/62/00/216916200.db2.gz YJXUTBGUBGHNJL-OAHLLOKOSA-N 0 0 347.411 2.682 50 0 EFAARN CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N[C@@H](C)C(C)C)C1 ZINC000077485404 216916565 /nfs/dbraw/zinc/91/65/65/216916565.db2.gz CFJHZYDTZXMRPM-ZDUSSCGKSA-N 0 0 339.443 2.900 50 0 EFAARN COC(=O)c1cc(-c2c[nH]c([C@@H]3CC(=O)N(CC(C)C)C3)n2)c(C)o1 ZINC000019795144 212068781 /nfs/dbraw/zinc/06/87/81/212068781.db2.gz WMXUBOMBCQPXRQ-GFCCVEGCSA-N 0 0 345.399 2.737 50 0 EFAARN C[C@H]1Oc2ccc(-c3csc(NC(=O)C4CC4)n3)cc2NC1=O ZINC000019820123 212071940 /nfs/dbraw/zinc/07/19/40/212071940.db2.gz XGQDBBTXKNIYRC-MRVPVSSYSA-N 0 0 329.381 2.878 50 0 EFAARN O=C(c1ccc2n[nH]nc2c1)N1CCO[C@@H](CC2CCCCC2)C1 ZINC000019774659 212064653 /nfs/dbraw/zinc/06/46/53/212064653.db2.gz YFPVGLSVDLFPCU-HNNXBMFYSA-N 0 0 328.416 2.769 50 0 EFAARN O=C(Cn1ccc(-c2cccnc2)n1)Nc1ccnn1-c1ccccc1 ZINC000019774090 212064701 /nfs/dbraw/zinc/06/47/01/212064701.db2.gz KGPRKKQKVUDNSA-UHFFFAOYSA-N 0 0 344.378 2.770 50 0 EFAARN O=C(NCC[C@@H]1COc2ccccc2O1)c1cccc(-n2cccn2)c1 ZINC000077539314 216932845 /nfs/dbraw/zinc/93/28/45/216932845.db2.gz MZQDTVBIAQQHJX-QGZVFWFLSA-N 0 0 349.390 2.832 50 0 EFAARN COc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000019762370 212062866 /nfs/dbraw/zinc/06/28/66/212062866.db2.gz ZPFCQXDKBQQQGN-UHFFFAOYSA-N 0 0 326.396 2.780 50 0 EFAARN O=C(c1ccc2n[nH]nc2c1)N1CCO[C@H](CC2CCCCC2)C1 ZINC000019774661 212064576 /nfs/dbraw/zinc/06/45/76/212064576.db2.gz YFPVGLSVDLFPCU-OAHLLOKOSA-N 0 0 328.416 2.769 50 0 EFAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1csc(N)n1 ZINC000077541276 216933997 /nfs/dbraw/zinc/93/39/97/216933997.db2.gz NAUSVXWXHREUHN-UHFFFAOYSA-N 0 0 341.440 2.502 50 0 EFAARN CCCc1cc2c(cc1OC(=O)CN)occ(-c1ccccn1)c2=O ZINC000019703440 212055455 /nfs/dbraw/zinc/05/54/55/212055455.db2.gz DBJMDBORZIMDNJ-UHFFFAOYSA-N 0 0 338.363 2.672 50 0 biogenic EFAARN C[C@H]1CCc2sc3ncnc(NCCCN4CCOCC4)c3c2C1 ZINC000019682069 212054419 /nfs/dbraw/zinc/05/44/19/212054419.db2.gz SSGUCGMTSISLFR-ZDUSSCGKSA-N 0 0 346.500 2.950 50 0 EFAARN CCOC(=O)N1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000019609138 212051755 /nfs/dbraw/zinc/05/17/55/212051755.db2.gz BOGBAMKLSLKUSK-UHFFFAOYSA-N 0 0 345.212 2.862 50 0 EFAARN CC(=O)c1cc(CN2CCC(Cn3cc([C@@H](C)O)nn3)CC2)cs1 ZINC000019595606 212049910 /nfs/dbraw/zinc/04/99/10/212049910.db2.gz YCQIJYGXZPDNHM-GFCCVEGCSA-N 0 0 348.472 2.508 50 0 EFAARN CCOc1cc(CN2CCN(C(=O)CC(C)C)CC2)ccc1OC ZINC000019532033 212038935 /nfs/dbraw/zinc/03/89/35/212038935.db2.gz IBWQKZMBZKRWIN-UHFFFAOYSA-N 0 0 334.460 2.784 50 0 EFAARN Fc1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019349159 212020018 /nfs/dbraw/zinc/02/00/18/212020018.db2.gz PLKMKTFWFIDGBZ-UHFFFAOYSA-N 0 0 328.387 2.872 50 0 EFAARN CCCCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O ZINC000019320261 212015810 /nfs/dbraw/zinc/01/58/10/212015810.db2.gz HVXOIOSTLGLVLO-UHFFFAOYSA-N 0 0 342.439 2.811 50 0 biogenic EFAARN CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000049388866 214004800 /nfs/dbraw/zinc/00/48/00/214004800.db2.gz ABPDFZKDAJSIHG-UHFFFAOYSA-N 0 0 343.221 2.704 50 0 EFAARN O=C(C1=COCCO1)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049431207 214007340 /nfs/dbraw/zinc/00/73/40/214007340.db2.gz NRLYIRPINYWHTE-UHFFFAOYSA-N 0 0 346.408 2.554 50 0 EFAARN CC[C@@H](C(=O)N1CC(c2nc(-c3cnccn3)no2)C1)c1ccccc1 ZINC000049485296 214012966 /nfs/dbraw/zinc/01/29/66/214012966.db2.gz QVJMFXDMCGKJFM-OAHLLOKOSA-N 0 0 349.394 2.646 50 0 EFAARN O=C(c1cc2c([nH]c1=O)CCC2)N1CCC(Cc2ccccc2)CC1 ZINC000049551477 214018679 /nfs/dbraw/zinc/01/86/79/214018679.db2.gz QPHLZKKFLZWNDG-UHFFFAOYSA-N 0 0 336.435 2.959 50 0 EFAARN O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CN1CCOCC1 ZINC000019201912 212004551 /nfs/dbraw/zinc/00/45/51/212004551.db2.gz PDEMWNSASTWCNT-UKTHLTGXSA-N 0 0 338.816 2.666 50 0 EFAARN C[C@]12C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H](c1ccccc1)N1CCCN12 ZINC000019172016 212003599 /nfs/dbraw/zinc/00/35/99/212003599.db2.gz NBIADNCGQLITLE-DBXWQHBBSA-N 0 0 347.418 2.612 50 0 EFAARN O=C(NCc1ccc(-n2cccn2)cc1)[C@H]1COc2ccccc2C1 ZINC000078324486 217040704 /nfs/dbraw/zinc/04/07/04/217040704.db2.gz QBTUXQSOADHEEC-QGZVFWFLSA-N 0 0 333.391 2.740 50 0 EFAARN CCN(C)c1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 ZINC000019145856 212001916 /nfs/dbraw/zinc/00/19/16/212001916.db2.gz IDKDHGZNROYSMX-KRWDZBQOSA-N 0 0 341.459 2.819 50 0 EFAARN CCc1noc(CN(C)c2ccc(-c3nc(C(C)C)no3)cn2)n1 ZINC000019146867 212001605 /nfs/dbraw/zinc/00/16/05/212001605.db2.gz OBSBUUNMPLAYSV-UHFFFAOYSA-N 0 0 328.376 2.837 50 0 EFAARN O=C(Cc1cccnc1)N1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000019112842 211999206 /nfs/dbraw/zinc/99/92/06/211999206.db2.gz OZLZEAKNJBBYJC-UHFFFAOYSA-N 0 0 339.443 2.737 50 0 EFAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCNC1=O ZINC000078394902 217046485 /nfs/dbraw/zinc/04/64/85/217046485.db2.gz ZYFOATVAEMAPLV-SNVBAGLBSA-N 0 0 345.321 2.504 50 0 EFAARN CCNC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000078578456 217079655 /nfs/dbraw/zinc/07/96/55/217079655.db2.gz XSZSZURLKBECNT-UHFFFAOYSA-N 0 0 330.409 2.550 50 0 EFAARN CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1F ZINC000078582200 217080437 /nfs/dbraw/zinc/08/04/37/217080437.db2.gz FRGUZRJIKOYCAB-UHFFFAOYSA-N 0 0 347.371 2.975 50 0 EFAARN Cc1cccc(-c2noc(CNC(=O)COc3ccccc3F)n2)c1 ZINC000078582179 217080992 /nfs/dbraw/zinc/08/09/92/217080992.db2.gz DQGYQKRUGPOHJA-UHFFFAOYSA-N 0 0 341.342 2.879 50 0 EFAARN CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O ZINC000017583536 211969557 /nfs/dbraw/zinc/96/95/57/211969557.db2.gz XMDDNCOFAPJUDJ-UHFFFAOYSA-N 0 0 337.379 2.976 50 0 EFAARN Cc1ccc(-c2nc(SCC(=O)NCc3cccnc3)n[nH]2)cc1 ZINC000078772597 217117995 /nfs/dbraw/zinc/11/79/95/217117995.db2.gz PZGOIKZVQKRPNJ-UHFFFAOYSA-N 0 0 339.424 2.584 50 0 EFAARN CCn1nc(C)c(S(=O)(=O)n2nc(C3CC3)cc2C(F)F)c1C ZINC000017071829 211953266 /nfs/dbraw/zinc/95/32/66/211953266.db2.gz QKTKOEXWFJGCPD-UHFFFAOYSA-N 0 0 344.387 2.768 50 0 EFAARN O=S(=O)(Cc1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000016972114 211944158 /nfs/dbraw/zinc/94/41/58/211944158.db2.gz 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217225316 /nfs/dbraw/zinc/22/53/16/217225316.db2.gz IDXIKIMRSOTNGM-CYBMUJFWSA-N 0 0 336.436 2.711 50 0 EFAARN COC(=O)N1C(=O)[C@](c2ccccc2)(C2CCCC2)N1C(=O)OC ZINC000015924774 211869196 /nfs/dbraw/zinc/86/91/96/211869196.db2.gz ZRHWCAFAIHTQKD-KRWDZBQOSA-N 0 0 332.356 2.664 50 0 in-vitro EFAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cnn(C)c3)o2)n1 ZINC000079480116 217230358 /nfs/dbraw/zinc/23/03/58/217230358.db2.gz LPPHGSBNOWHXJC-UHFFFAOYSA-N 0 0 343.412 2.965 50 0 EFAARN COc1cc(CCC(=O)Nc2cnc3cc(OC)ccc3c2)on1 ZINC000079483214 217231250 /nfs/dbraw/zinc/23/12/50/217231250.db2.gz DHKMUXBVOGDTGY-UHFFFAOYSA-N 0 0 327.340 2.811 50 0 EFAARN O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N1CCSCC1 ZINC000079484887 217231774 /nfs/dbraw/zinc/23/17/74/217231774.db2.gz FECBVBPGWCXFRJ-UHFFFAOYSA-N 0 0 342.424 2.726 50 0 EFAARN Cn1nc2c(c1NC(=O)Cc1csc(-n3cccc3)n1)CSC2 ZINC000079486430 217232044 /nfs/dbraw/zinc/23/20/44/217232044.db2.gz XCPMHIYAFCEJBJ-UHFFFAOYSA-N 0 0 345.453 2.595 50 0 EFAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](C(C)C)SCC(=O)N2 ZINC000079483287 217232116 /nfs/dbraw/zinc/23/21/16/217232116.db2.gz JXVDWZDUCDAJPV-MFKMUULPSA-N 0 0 343.474 2.583 50 0 EFAARN O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)N1CCCCC1 ZINC000015862189 211863490 /nfs/dbraw/zinc/86/34/90/211863490.db2.gz ISKQTOBJLIKELD-UHFFFAOYSA-N 0 0 327.789 2.621 50 0 EFAARN O=c1cc2c(nn1CN1CCO[C@@H](c3ccccc3)C1)CCCCC2 ZINC000079487956 217232597 /nfs/dbraw/zinc/23/25/97/217232597.db2.gz JNFYDOQDLGXSEM-LJQANCHMSA-N 0 0 339.439 2.543 50 0 EFAARN COCc1nc(-c2cccc(NC(=O)c3n[nH]c4ccccc43)c2)n[nH]1 ZINC000079490028 217232970 /nfs/dbraw/zinc/23/29/70/217232970.db2.gz PDXRSKAWLDGQKC-UHFFFAOYSA-N 0 0 348.366 2.747 50 0 EFAARN COCCn1cc(CCC(=O)Nc2cnn(C)c2)c2ccccc21 ZINC000079487325 217233161 /nfs/dbraw/zinc/23/31/61/217233161.db2.gz MQLNLNLWLQUERA-UHFFFAOYSA-N 0 0 326.400 2.593 50 0 EFAARN COCCCNC(=O)c1ccc(CSc2nc(C)cc(C)n2)o1 ZINC000079487780 217233422 /nfs/dbraw/zinc/23/34/22/217233422.db2.gz BIWQKXREICSGMY-UHFFFAOYSA-N 0 0 335.429 2.745 50 0 EFAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000079494512 217233975 /nfs/dbraw/zinc/23/39/75/217233975.db2.gz UUCUFJJAJVXNNR-OAHLLOKOSA-N 0 0 344.846 2.705 50 0 EFAARN O=C(Cn1ccc2ccc(F)cc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079494435 217234384 /nfs/dbraw/zinc/23/43/84/217234384.db2.gz JFSSRXWXMNUABS-KXBFYZLASA-N 0 0 330.403 2.934 50 0 EFAARN COCCn1ccc2c1cccc2NC(=O)CCc1cc(OC)no1 ZINC000079474084 217228797 /nfs/dbraw/zinc/22/87/97/217228797.db2.gz KRGSVBDYCQXMRH-UHFFFAOYSA-N 0 0 343.383 2.856 50 0 EFAARN Cn1cc(-c2nnc3sc(-c4cc(F)c(F)c(F)c4)nn32)cn1 ZINC000079501211 217235166 /nfs/dbraw/zinc/23/51/66/217235166.db2.gz GUOYUFZHYOLKIF-UHFFFAOYSA-N 0 0 336.302 2.671 50 0 EFAARN Cc1ccoc1C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000011788284 211247415 /nfs/dbraw/zinc/24/74/15/211247415.db2.gz ZFGXHKAEEDZAGW-AWEZNQCLSA-N 0 0 335.363 2.779 50 0 EFAARN Cc1nc(-c2nn3c(nnc3-c3cc(C(C)C)nn3C)s2)co1 ZINC000079501873 217235680 /nfs/dbraw/zinc/23/56/80/217235680.db2.gz 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/nfs/dbraw/zinc/29/94/65/217299465.db2.gz DRUMQOKMYVAVSN-ZDUSSCGKSA-N 0 0 338.429 2.944 50 0 EFAARN O=C(CCN1CCCC1=O)NCc1cccnc1Oc1ccccc1 ZINC000015079111 211799581 /nfs/dbraw/zinc/79/95/81/211799581.db2.gz WIZDWSLHEMJSBQ-UHFFFAOYSA-N 0 0 339.395 2.503 50 0 EFAARN CCc1ocnc1C(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC000015070260 211797400 /nfs/dbraw/zinc/79/74/00/211797400.db2.gz JREXDFALKZWARG-UHFFFAOYSA-N 0 0 347.378 2.901 50 0 EFAARN CC(C)CCC(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000015072869 211796495 /nfs/dbraw/zinc/79/64/95/211796495.db2.gz DVVPGJTYJAZQFM-INIZCTEOSA-N 0 0 325.412 3.000 50 0 EFAARN Cc1ccc(CNC(=O)c2cc(Cn3c(C)nc4ccccc43)n[nH]2)o1 ZINC000015065925 211794747 /nfs/dbraw/zinc/79/47/47/211794747.db2.gz XFSDYSSQGNNSGN-UHFFFAOYSA-N 0 0 349.394 2.948 50 0 EFAARN O=C(NC(=S)Nc1cccc(C(=O)N2CCCC2)c1)c1ccco1 ZINC000014560503 211744710 /nfs/dbraw/zinc/74/47/10/211744710.db2.gz WZEJNCISRLEBAH-UHFFFAOYSA-N 0 0 343.408 2.642 50 0 EFAARN COc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000014291460 211730910 /nfs/dbraw/zinc/73/09/10/211730910.db2.gz PGKINGVDKMQXFD-UHFFFAOYSA-N 0 0 325.817 2.968 50 0 EFAARN CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000082083371 217460368 /nfs/dbraw/zinc/46/03/68/217460368.db2.gz UZZHYKKXBSCARX-INIZCTEOSA-N 0 0 349.390 2.946 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1CCn1cccn1 ZINC000082097758 217464261 /nfs/dbraw/zinc/46/42/61/217464261.db2.gz OLZQSYBCSFXHMZ-INIZCTEOSA-N 0 0 330.432 2.892 50 0 EFAARN O=C(CCCn1cncn1)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000082097606 217465371 /nfs/dbraw/zinc/46/53/71/217465371.db2.gz QOQYRPGCJPIQOQ-KRWDZBQOSA-N 0 0 342.443 2.778 50 0 EFAARN CCCc1cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)no1 ZINC000082126841 217473881 /nfs/dbraw/zinc/47/38/81/217473881.db2.gz PRNHOYXLNCVFHU-UHFFFAOYSA-N 0 0 344.415 2.982 50 0 EFAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2cc(Cl)cn2)cc1 ZINC000014247888 211722143 /nfs/dbraw/zinc/72/21/43/211722143.db2.gz RDGBUZBWTJTVPN-UHFFFAOYSA-N 0 0 341.864 2.714 50 0 EFAARN COc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)c(OC)c1 ZINC000014206970 211711704 /nfs/dbraw/zinc/71/17/04/211711704.db2.gz CWDMNWPFQVZWGW-UHFFFAOYSA-N 0 0 339.277 2.904 50 0 EFAARN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000083011512 217510134 /nfs/dbraw/zinc/51/01/34/217510134.db2.gz NLQKHFWFTQUGFE-HNNXBMFYSA-N 0 0 328.437 2.984 50 0 EFAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccccc1 ZINC000014141532 211693516 /nfs/dbraw/zinc/69/35/16/211693516.db2.gz FMQONMYLWBQVHN-HXUWFJFHSA-N 0 0 349.390 2.624 50 0 EFAARN O=C(c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)N1CCCCC1 ZINC000017987834 296218700 /nfs/dbraw/zinc/21/87/00/296218700.db2.gz HTHWIJDCOAXICQ-IAGOWNOFSA-N 0 0 340.423 2.992 50 0 EFAARN COC(=O)[C@]1(C(F)(F)F)N=C2C=CC=CN2C(c2cccs2)=N1 ZINC000004751382 284478673 /nfs/dbraw/zinc/47/86/73/284478673.db2.gz JHOANAHTDRMTNF-ZDUSSCGKSA-N 0 0 341.314 2.724 50 0 EFAARN Cn1nc(C(F)(F)F)cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000013959894 211662876 /nfs/dbraw/zinc/66/28/76/211662876.db2.gz PPTFPULVRRBUOB-UHFFFAOYSA-N 0 0 336.317 2.893 50 0 EFAARN O=C(c1ccc(O)cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000352092 296221917 /nfs/dbraw/zinc/22/19/17/296221917.db2.gz HOUUJZSFWDPLLD-RISCZKNCSA-N 0 0 328.290 2.645 50 0 EFAARN CC1(C)CC(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c2C1 ZINC000013957716 211661021 /nfs/dbraw/zinc/66/10/21/211661021.db2.gz QWHDEJRUJLNAKP-UHFFFAOYSA-N 0 0 338.407 2.503 50 0 EFAARN CCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000013942563 211658164 /nfs/dbraw/zinc/65/81/64/211658164.db2.gz FDXVQAAJZTWGTJ-LLVKDONJSA-N 0 0 330.413 2.716 50 0 EFAARN CCCc1cc(-c2nc(C)c(C(=O)NCCC(=O)OC)s2)ccn1 ZINC000085431264 217667107 /nfs/dbraw/zinc/66/71/07/217667107.db2.gz MZUXPBBRCKOPHO-UHFFFAOYSA-N 0 0 347.440 2.759 50 0 EFAARN O=C(NC[C@@]1(O)CCc2ccccc2C1)c1cc(-c2ccccc2)on1 ZINC000085560076 217677463 /nfs/dbraw/zinc/67/74/63/217677463.db2.gz GHJUROAESNOHKM-OAQYLSRUSA-N 0 0 348.402 2.991 50 0 EFAARN COc1c(C)cc(S(=O)(=O)NCCc2ccsc2)cc1C ZINC000013725331 211622172 /nfs/dbraw/zinc/62/21/72/211622172.db2.gz SSJPZFJOTSXIIW-UHFFFAOYSA-N 0 0 325.455 2.895 50 0 EFAARN O=C1C[C@H](c2ccc(O)cc2)c2c(=O)nc3[nH]c4ccccc4n3c2N1 ZINC000013691850 211613406 /nfs/dbraw/zinc/61/34/06/211613406.db2.gz VEGDUPXHGMRYIJ-GFCCVEGCSA-N 0 0 346.346 2.768 50 0 EFAARN C[C@@H](Sc1ncnc2[nH]cnc21)C(=O)NCCCc1ccccc1 ZINC000013569777 211582483 /nfs/dbraw/zinc/58/24/83/211582483.db2.gz DUGQNJHTZFZEKR-GFCCVEGCSA-N 0 0 341.440 2.583 50 0 EFAARN O=C(CSc1ncnc2[nH]cnc21)N[C@H]1CCCc2ccccc21 ZINC000013569539 211581470 /nfs/dbraw/zinc/58/14/70/211581470.db2.gz NUDTUJPUKIVDCP-ZDUSSCGKSA-N 0 0 339.424 2.639 50 0 EFAARN COCC[C@@H]1CCCCN1C(=O)NCc1nc2cc(C)ccc2[nH]1 ZINC000426381802 247272225 /nfs/dbraw/zinc/27/22/25/247272225.db2.gz UVFDZIMGZVRMOT-AWEZNQCLSA-N 0 0 330.432 2.972 50 0 EFAARN O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cnoc1-c1ccccc1 ZINC000426380657 247272425 /nfs/dbraw/zinc/27/24/25/247272425.db2.gz PUJBBRMQZLXTBB-OAHLLOKOSA-N 0 0 349.394 2.530 50 0 EFAARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CCc1nc3cc(C)c(C)cc3[nH]1)C2 ZINC000426389215 247274718 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CSCCc1nc([C@H](C)c2ccc(Cl)cc2)n(CCO)n1 ZINC000096141244 218624315 /nfs/dbraw/zinc/62/43/15/218624315.db2.gz OVTXDEMXOBMIJR-LLVKDONJSA-N 0 0 325.865 2.981 50 0 EFAARN O=C(COc1ccc2ccc(=O)oc2c1)NCCc1ccccc1F ZINC000006756249 210703442 /nfs/dbraw/zinc/70/34/42/210703442.db2.gz BEWZPPSALSQWLS-UHFFFAOYSA-N 0 0 341.338 2.670 50 0 EFAARN O=C(CN1C(=O)COc2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000006757240 210703458 /nfs/dbraw/zinc/70/34/58/210703458.db2.gz VLSGLMXAJKUKPG-UHFFFAOYSA-N 0 0 329.739 2.584 50 0 EFAARN Cc1nn(CC(N)=O)c(C)c1-c1ccc(OCc2ccccc2)nc1 ZINC000096141296 218624441 /nfs/dbraw/zinc/62/44/41/218624441.db2.gz PQGBMUJUIWGZON-UHFFFAOYSA-N 0 0 336.395 2.626 50 0 EFAARN Cc1nn(C)c2nc(N[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)sc12 ZINC000096150927 218627831 /nfs/dbraw/zinc/62/78/31/218627831.db2.gz CFYLEQJRNYWRMP-GFCCVEGCSA-N 0 0 341.440 2.864 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)c2cccc(-n3cnnc3)c2)cc1 ZINC000006703866 210687645 /nfs/dbraw/zinc/68/76/45/210687645.db2.gz YBAKLOBUCSAIDF-UHFFFAOYSA-N 0 0 336.351 2.696 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/nfs/dbraw/zinc/47/80/93/544478093.db2.gz MLWHAEUFGUBVAW-GFCCVEGCSA-N 0 0 342.395 2.729 50 0 EFAARN N=c1c2c(ncn1CCCO)Oc1cc(O)ccc1[C@H]2c1ccccc1 ZINC000100572965 544560896 /nfs/dbraw/zinc/56/08/96/544560896.db2.gz BLKAFDNEYZHCCO-QGZVFWFLSA-N 0 0 349.390 2.736 50 0 EFAARN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc(Br)o1 ZINC000279918872 273269190 /nfs/dbraw/zinc/26/91/90/273269190.db2.gz IQZLSLOAXSPDLN-QMMMGPOBSA-N 0 0 340.177 2.912 50 0 EFAARN COCCN(Cc1ccoc1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000085474439 262501692 /nfs/dbraw/zinc/50/16/92/262501692.db2.gz XUUWKFFTVRAYME-UHFFFAOYSA-N 0 0 349.452 2.996 50 0 EFAARN COc1ccc(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000282641333 273593037 /nfs/dbraw/zinc/59/30/37/273593037.db2.gz UCFXUOHOFAAVOL-OAHLLOKOSA-N 0 0 349.456 2.653 50 0 EFAARN CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 ZINC000002446824 274190073 /nfs/dbraw/zinc/19/00/73/274190073.db2.gz OUJFGYZHOLUMIF-ZETCQYMHSA-N 0 0 330.442 2.737 50 0 EFAARN CSc1nc2sc3c(c2c(N2CCN(C(C)=O)CC2)n1)CCC3 ZINC000032087988 274190097 /nfs/dbraw/zinc/19/00/97/274190097.db2.gz IQROYVOEQWSWAK-UHFFFAOYSA-N 0 0 348.497 2.570 50 0 EFAARN O=C1[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000101500110 275028775 /nfs/dbraw/zinc/02/87/75/275028775.db2.gz BKPXFHDRFFXARJ-UKRRQHHQSA-N 0 0 344.729 2.772 50 0 EFAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nccc(-c3ccccc3)c12 ZINC000009134481 275042163 /nfs/dbraw/zinc/04/21/63/275042163.db2.gz KLPRTYLHLGHWML-UHFFFAOYSA-N 0 0 329.359 2.800 50 0 EFAARN c1ccc2c(c1)OC[C@H](c1nnc3sc(-c4ccncc4)nn31)O2 ZINC000001016518 275070710 /nfs/dbraw/zinc/07/07/10/275070710.db2.gz HUSINSMIQGQQLO-CYBMUJFWSA-N 0 0 337.364 2.760 50 0 EFAARN c1ccc2nc(-c3nnc4sc(-c5cnccn5)nn43)ccc2c1 ZINC000013724453 275071915 /nfs/dbraw/zinc/07/19/15/275071915.db2.gz KQJKZLUDTONJRT-UHFFFAOYSA-N 0 0 331.364 2.858 50 0 EFAARN CC(=O)Oc1cn(C(C)=O)c2ccc(I)cc12 ZINC000000294920 275499162 /nfs/dbraw/zinc/49/91/62/275499162.db2.gz XOGNTWBEKXNMPX-UHFFFAOYSA-N 0 0 343.120 2.831 50 0 EFAARN CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=NNC(=O)CC1 ZINC000055369798 275717035 /nfs/dbraw/zinc/71/70/35/275717035.db2.gz MGYSPZCJNNOPKO-SFHVURJKSA-N 0 0 338.411 2.516 50 0 EFAARN CC1(C)Cc2sc3c([nH]c(=O)n(Cc4ccccc4)c3=O)c2CO1 ZINC000008768316 275875862 /nfs/dbraw/zinc/87/58/62/275875862.db2.gz HOEWQPPWHYIWLX-UHFFFAOYSA-N 0 0 342.420 2.651 50 0 EFAARN CC1(C)COC2(OC1)c1ccccc1N(CN1CCCCC1)C2=O ZINC000004865566 276138525 /nfs/dbraw/zinc/13/85/25/276138525.db2.gz YKDZQQMSBIDSFX-UHFFFAOYSA-N 0 0 330.428 2.702 50 0 EFAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C1=O ZINC000101264406 276147219 /nfs/dbraw/zinc/14/72/19/276147219.db2.gz CWROMPSYTREGNL-QLFBSQMISA-N 0 0 328.393 2.615 50 0 EFAARN CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccc(F)cc2)NC(=O)N1 ZINC000000126767 276176276 /nfs/dbraw/zinc/17/62/76/276176276.db2.gz PJINKMDSGFDRCJ-NSHDSACASA-N 0 0 332.253 2.559 50 0 EFAARN CCN1CCc2ncnc(N(C)Cc3ccn(-c4ccccc4)n3)c2C1 ZINC000065513448 276237992 /nfs/dbraw/zinc/23/79/92/276237992.db2.gz RVOFYBOULXHDMC-UHFFFAOYSA-N 0 0 348.454 2.677 50 0 EFAARN CCCN1CCC[C@@]2(CCN(c3noc(-c4ccccc4)n3)C2)C1=O ZINC000091492962 276260659 /nfs/dbraw/zinc/26/06/59/276260659.db2.gz SEKKUXRMCBPDNE-IBGZPJMESA-N 0 0 340.427 2.966 50 0 EFAARN CCOC(=O)[C@]1(C)C(Br)C(=O)C(=O)N1c1ccccc1 ZINC000020029327 276295973 /nfs/dbraw/zinc/29/59/73/276295973.db2.gz BFWZGZLHESZCKJ-AWEZNQCLSA-N 0 0 340.173 2.520 50 0 EFAARN CCOC(=O)c1c(=O)n(C)c2cccc3c2c1-c1ccccc1C3=O ZINC000000488154 276296278 /nfs/dbraw/zinc/29/62/78/276296278.db2.gz WXSNKVBZNWFPKC-UHFFFAOYSA-N 0 0 333.343 2.927 50 0 biogenic EFAARN CCOC(=O)c1c(N)n(-c2ccccc2N)c2nc3ccccc3nc21 ZINC000000492681 276296594 /nfs/dbraw/zinc/29/65/94/276296594.db2.gz RDIBRAIHPMBNQR-UHFFFAOYSA-N 0 0 347.378 2.915 50 0 EFAARN CCCn1ncc([C@@H]2CC(=O)NCc3nc4cc(C)ccn4c32)c1C ZINC000065417543 276297779 /nfs/dbraw/zinc/29/77/79/276297779.db2.gz XPKULMWHXSXCMJ-AWEZNQCLSA-N 0 0 337.427 2.709 50 0 EFAARN CN(C)N1C2=C(CCCC2)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000005319126 276813981 /nfs/dbraw/zinc/81/39/81/276813981.db2.gz LUQWCMWLSLAZJP-WBVHZDCISA-N 0 0 325.412 2.555 50 0 EFAARN CC(=O)N(C(C)=O)c1c(=O)oc2ccccc2c1N1CCCCC1 ZINC000000244325 276942988 /nfs/dbraw/zinc/94/29/88/276942988.db2.gz RZQJLCKTRIIAQC-UHFFFAOYSA-N 0 0 328.368 2.683 50 0 EFAARN CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000009828246 277009375 /nfs/dbraw/zinc/00/93/75/277009375.db2.gz KKCLTFWFXHVIJH-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 ZINC000020744882 277011222 /nfs/dbraw/zinc/01/12/22/277011222.db2.gz OCODGSVZSVQPJP-KDOFPFPSSA-N 0 0 338.363 2.573 50 0 EFAARN CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C1=O ZINC000135630373 277020258 /nfs/dbraw/zinc/02/02/58/277020258.db2.gz XMMQNOUKFCYDCF-MELADBBJSA-N 0 0 348.811 2.878 50 0 EFAARN CN1CC2(CCC1=O)CCN(c1cccc(C(F)(F)F)n1)CC2 ZINC000091382047 277022625 /nfs/dbraw/zinc/02/26/25/277022625.db2.gz DMYSWMMNJWMPBW-UHFFFAOYSA-N 0 0 327.350 2.939 50 0 EFAARN CN1CCN(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)CC1 ZINC000072168923 277091149 /nfs/dbraw/zinc/09/11/49/277091149.db2.gz FOKAHVMYXQGCPP-KRWDZBQOSA-N 0 0 331.460 2.547 50 0 EFAARN COC(=O)c1cc(-c2ccco2)nc2c1c(=O)[nH]c(=S)n2C1CC1 ZINC000020608032 277148734 /nfs/dbraw/zinc/14/87/34/277148734.db2.gz CVLWHOLWVLMYOL-UHFFFAOYSA-N 0 0 343.364 2.836 50 0 EFAARN CN1CCc2ncnc(N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)c2C1 ZINC000222191740 277189663 /nfs/dbraw/zinc/18/96/63/277189663.db2.gz QQIJJDRADWDKOM-CQSZACIVSA-N 0 0 348.454 2.725 50 0 EFAARN CN1CCc2ncnc(N3CCC[C@H]3Cc3ccc(F)cc3)c2C1 ZINC000242140895 277189681 /nfs/dbraw/zinc/18/96/81/277189681.db2.gz WQEUBKOUWCKBBN-INIZCTEOSA-N 0 0 326.419 2.815 50 0 EFAARN CC(C)(C)OC(=O)NC1CC[NH+]([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000012648491 277197244 /nfs/dbraw/zinc/19/72/44/277197244.db2.gz UPZMQRZINKLLKM-HNNXBMFYSA-N 0 0 334.416 2.801 50 0 EFAARN CN1c2ccccc2C2(CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)C1=O ZINC000072164806 277217152 /nfs/dbraw/zinc/21/71/52/277217152.db2.gz QPDAFDKZWNEVLS-OWCLPIDISA-N 0 0 336.435 2.735 50 0 EFAARN CC(C)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000011838729 277331866 /nfs/dbraw/zinc/33/18/66/277331866.db2.gz GNWDAMQJXIFKKB-LJQANCHMSA-N 0 0 332.419 2.823 50 0 EFAARN CC(C)CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 ZINC000072133055 277343567 /nfs/dbraw/zinc/34/35/67/277343567.db2.gz KJXCPKOMNUPMOD-UHFFFAOYSA-N 0 0 339.443 2.535 50 0 EFAARN COc1cc([C@@H]2c3ccccc3NC3=COC(=O)C32)cc2c1OCO2 ZINC000066089373 277388835 /nfs/dbraw/zinc/38/88/35/277388835.db2.gz TYKGGOZJXGMKNA-MRXNPFEDSA-N 0 0 337.331 2.792 50 0 EFAARN COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000013813819 277390858 /nfs/dbraw/zinc/39/08/58/277390858.db2.gz KYRIYKHGOSLYDC-GFCCVEGCSA-N 0 0 330.336 2.859 50 0 biogenic EFAARN COC(=O)c1c(N)n(-c2ccccc2O)c2nc3ccccc3nc21 ZINC000000390217 277417788 /nfs/dbraw/zinc/41/77/88/277417788.db2.gz YWLHZYBGAPWUJZ-UHFFFAOYSA-N 0 0 334.335 2.648 50 0 EFAARN COC(=O)c1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3C)cc1 ZINC000049546587 277436297 /nfs/dbraw/zinc/43/62/97/277436297.db2.gz USPCDKPJLWMRAP-CQSZACIVSA-N 0 0 331.397 2.939 50 0 EFAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1 ZINC000012163940 277879031 /nfs/dbraw/zinc/87/90/31/277879031.db2.gz JZUAFGNTFRICDA-NSHDSACASA-N 0 0 326.352 2.691 50 0 EFAARN C[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[C@@]1(O)C1CCOCC1 ZINC000091468302 277920081 /nfs/dbraw/zinc/92/00/81/277920081.db2.gz KQHYDMGZMJDMCH-KUHUBIRLSA-N 0 0 343.427 2.741 50 0 EFAARN COc1ccc([C@@H]2CC(=O)c3cn4nc(SC)nc4nc3C2)cc1 ZINC000020671547 277927681 /nfs/dbraw/zinc/92/76/81/277927681.db2.gz RHQQNZYPZMFZLC-NSHDSACASA-N 0 0 340.408 2.768 50 0 EFAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c1 ZINC000012163201 278008356 /nfs/dbraw/zinc/00/83/56/278008356.db2.gz DAXAJMFDASKCOZ-NSHDSACASA-N 0 0 326.352 2.691 50 0 EFAARN CC(C)c1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCC(=O)N4C)on1 ZINC000065417415 278020793 /nfs/dbraw/zinc/02/07/93/278020793.db2.gz SEEXCICECRYDLW-LLVKDONJSA-N 0 0 341.367 2.627 50 0 EFAARN CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000071589779 278025688 /nfs/dbraw/zinc/02/56/88/278025688.db2.gz VUPIJGKTIBAAKS-KRWDZBQOSA-N 0 0 344.386 2.851 50 0 EFAARN COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1N ZINC000000616538 278046968 /nfs/dbraw/zinc/04/69/68/278046968.db2.gz DBMRKGDJNJUXND-UHFFFAOYSA-N 0 0 328.759 2.878 50 0 EFAARN CC(=O)N1N=C2[C@@H]([C@@H]1c1ccc(Br)cc1)N1CCC2CC1 ZINC000020058920 278074686 /nfs/dbraw/zinc/07/46/86/278074686.db2.gz YHNOBRWBDPYSQK-HOTGVXAUSA-N 0 0 348.244 2.803 50 0 EFAARN COc1ncccc1CN1CCN(c2nc3c(s2)CCCC3)CC1 ZINC000067804222 278094966 /nfs/dbraw/zinc/09/49/66/278094966.db2.gz ZUFBIGGFYFBQEX-UHFFFAOYSA-N 0 0 344.484 2.748 50 0 EFAARN CC(C)n1c(=O)c2c3c(sc2nc1N1CCN(C)CC1)CCCC3 ZINC000012391220 278121612 /nfs/dbraw/zinc/12/16/12/278121612.db2.gz YYNXCJSAGMWMEV-UHFFFAOYSA-N 0 0 346.500 2.670 50 0 EFAARN CSc1nc2ncc3c(ccn(-c4cc(C)ccc4C)c3=O)n2n1 ZINC000030875385 278180061 /nfs/dbraw/zinc/18/00/61/278180061.db2.gz PAPOBMVWPFGZNM-UHFFFAOYSA-N 0 0 337.408 2.767 50 0 EFAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000257346270 278239377 /nfs/dbraw/zinc/23/93/77/278239377.db2.gz WZLPMEFLVNRRPZ-YRIJDMTNSA-N 0 0 346.467 2.809 50 0 EFAARN CC1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2F)CC1 ZINC000057355157 278535446 /nfs/dbraw/zinc/53/54/46/278535446.db2.gz FUISWKDSMWWUCU-QAPCUYQASA-N 0 0 332.419 2.994 50 0 EFAARN CCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 ZINC000001643728 278665307 /nfs/dbraw/zinc/66/53/07/278665307.db2.gz WBBXWIQFWWPFED-UHFFFAOYSA-N 0 0 347.259 2.724 50 0 EFAARN CCCNc1ncc(CN2CCc3nc[nH]c3[C@@H]2c2ccccn2)cn1 ZINC000067742704 278844118 /nfs/dbraw/zinc/84/41/18/278844118.db2.gz LBXNTCGAOLTCET-SFHVURJKSA-N 0 0 349.442 2.564 50 0 EFAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1nnc2n1CCCC2)CC3 ZINC000243914694 278867738 /nfs/dbraw/zinc/86/77/38/278867738.db2.gz BJOSPZNFQHKHFF-UHFFFAOYSA-N 0 0 335.411 2.603 50 0 EFAARN Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccc2c(c1)OCO2 ZINC000096098559 279089427 /nfs/dbraw/zinc/08/94/27/279089427.db2.gz RFRANBZLCFLTJQ-UHFFFAOYSA-N 0 0 340.383 2.675 50 0 EFAARN Cc1nc2n(c(=O)c1Br)N=C(c1ccccc1)CS2 ZINC000005274418 279131957 /nfs/dbraw/zinc/13/19/57/279131957.db2.gz LYJLMZYGSOCUIA-UHFFFAOYSA-N 0 0 336.214 2.672 50 0 EFAARN Cc1ncccc1Oc1ncnc(N2C[C@@H](C)[C@](O)(C3CC3)C2)c1C ZINC000091896546 279169777 /nfs/dbraw/zinc/16/97/77/279169777.db2.gz SWFFHVLVIBBIHF-BLVKFPJESA-N 0 0 340.427 2.878 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(C)cc1 ZINC000001025129 279530046 /nfs/dbraw/zinc/53/00/46/279530046.db2.gz YHAGIQWOOKVRKT-HNNXBMFYSA-N 0 0 330.409 2.818 50 0 EFAARN O=C(Nc1nc2c(s1)CCCCC2)C1(n2cnnn2)CCCCC1 ZINC000072402386 280057616 /nfs/dbraw/zinc/05/76/16/280057616.db2.gz LPICPPUVCKSVAI-UHFFFAOYSA-N 0 0 346.460 2.697 50 0 EFAARN O=C(Nc1nccs1)c1cnc2sc3c(n2c1=O)CCCCC3 ZINC000072401050 280066559 /nfs/dbraw/zinc/06/65/59/280066559.db2.gz QPUMUYYNBYUDJB-UHFFFAOYSA-N 0 0 346.437 2.734 50 0 EFAARN CC[C@@H](C)N1CC(=O)N2[C@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004061332 280104576 /nfs/dbraw/zinc/10/45/76/280104576.db2.gz FRWKGDXMHKAFBM-HSMVNMDESA-N 0 0 325.412 2.623 50 0 biogenic EFAARN Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C(C)(C)CO)CO3 ZINC000057152047 280223189 /nfs/dbraw/zinc/22/31/89/280223189.db2.gz QDYQELXCZKWESA-UHFFFAOYSA-N 0 0 337.803 2.986 50 0 EFAARN O=C1C=CC(=O)N1c1ccc(Br)cc1Br ZINC000017083480 280247882 /nfs/dbraw/zinc/24/78/82/280247882.db2.gz JVMFDBNSVIJBHH-UHFFFAOYSA-N 0 0 330.963 2.641 50 0 EFAARN Cc1c2cc(Br)ccc2[nH]c1C(=O)N1CCN(C)CC1 ZINC000020572432 280260897 /nfs/dbraw/zinc/26/08/97/280260897.db2.gz YYKZODYCAADDRS-UHFFFAOYSA-N 0 0 336.233 2.626 50 0 EFAARN O=C1C[C@@H](c2cccc3nsnc32)c2c(nc3sccn32)CN1 ZINC000065399198 280269579 /nfs/dbraw/zinc/26/95/79/280269579.db2.gz NKYKCNXLCXGTLW-VIFPVBQESA-N 0 0 341.421 2.552 50 0 EFAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(=O)oc3ccccc3c2O1 ZINC000001427231 280273707 /nfs/dbraw/zinc/27/37/07/280273707.db2.gz FGBKXMJFDIKGLN-GFCCVEGCSA-N 0 0 336.299 2.963 50 0 biogenic EFAARN Cc1cc(-c2nc3c([nH]2)C(=O)NC[C@@H](c2ccc(Cl)cc2)C3)n[nH]1 ZINC000067641170 280288109 /nfs/dbraw/zinc/28/81/09/280288109.db2.gz ZBTSCWOYOVGUBW-NSHDSACASA-N 0 0 341.802 2.831 50 0 EFAARN O=C1OC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 ZINC000211110031 280305790 /nfs/dbraw/zinc/30/57/90/280305790.db2.gz BCQZLBSDVFBWKK-UHFFFAOYSA-N 0 0 343.404 2.537 50 0 EFAARN O=S1(=O)CCN(Cc2ccccc2)c2c(F)nc(F)c(Cl)c21 ZINC000013727382 280347269 /nfs/dbraw/zinc/34/72/69/280347269.db2.gz VQVSQIFUNSGWFS-UHFFFAOYSA-N 0 0 344.770 2.807 50 0 EFAARN Cc1cc(C)n2ncc(C(=O)Nc3ccc(Br)cn3)c2n1 ZINC000002732304 280454276 /nfs/dbraw/zinc/45/42/76/280454276.db2.gz NDLIYNNBFOROHM-UHFFFAOYSA-N 0 0 346.188 2.756 50 0 EFAARN O=c1[nH]c(N2CCOCC2)nc2nccc(-c3ccc(Cl)cc3)c12 ZINC000013682750 280455947 /nfs/dbraw/zinc/45/59/47/280455947.db2.gz UKOBBCMHEJDZAD-UHFFFAOYSA-N 0 0 342.786 2.887 50 0 EFAARN CC(C)n1[nH]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1ccc(O)cc1 ZINC000072406305 280790629 /nfs/dbraw/zinc/79/06/29/280790629.db2.gz ZBKPGLWQOBNANY-UHFFFAOYSA-N 0 0 342.380 2.993 50 0 EFAARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 ZINC000000450827 280922060 /nfs/dbraw/zinc/92/20/60/280922060.db2.gz PLYXURQNISEGOO-UHFFFAOYSA-N 0 0 335.816 2.935 50 0 EFAARN Cc1ccc2nc3c(n2c1)[C@@H](c1cnc(C(C)(C)C)nc1)CC(=O)NC3 ZINC000065535378 281163388 /nfs/dbraw/zinc/16/33/88/281163388.db2.gz ZIIOEKMZPHHTSD-CQSZACIVSA-N 0 0 349.438 2.882 50 0 EFAARN Cc1cccc(C)c1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)C2=C1O ZINC000101203953 281204037 /nfs/dbraw/zinc/20/40/37/281204037.db2.gz JFLNOABZUVHYEX-PBHICJAKSA-N 0 0 338.338 2.735 50 0 EFAARN Cc1ccccc1-c1nnc2s/c(=C\c3cccs3)c(=O)n21 ZINC000000462396 281327871 /nfs/dbraw/zinc/32/78/71/281327871.db2.gz ZYCZTJNICZJZEC-LCYFTJDESA-N 0 0 325.418 2.736 50 0 EFAARN Cc1ccccc1-c1nc2s/c(=C\c3ccc(F)cc3)c(=O)n2n1 ZINC000000533014 281327904 /nfs/dbraw/zinc/32/79/04/281327904.db2.gz LTBDDSNVZACNSU-GDNBJRDFSA-N 0 0 337.379 2.813 50 0 EFAARN CCc1cc(=O)n(CC(=O)NC2CCCCC2)c(-c2ccccc2)n1 ZINC000057527027 281374799 /nfs/dbraw/zinc/37/47/99/281374799.db2.gz USHKVAIQZBQQFG-UHFFFAOYSA-N 0 0 339.439 2.922 50 0 EFAARN CCc1ccc([C@H](C)NC(=O)N2CCC3(CNC(=O)O3)CC2)cc1 ZINC000426472673 281423704 /nfs/dbraw/zinc/42/37/04/281423704.db2.gz GSNVNWXUJGPBTP-ZDUSSCGKSA-N 0 0 331.416 2.594 50 0 EFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000239174099 288585474 /nfs/dbraw/zinc/58/54/74/288585474.db2.gz PGUXJARDDYFEFY-IOASZLSFSA-N 0 0 336.457 2.844 50 0 EFAARN CN(Cc1ccc(Cl)nc1)C(=O)[C@@H](c1cccnc1)N1CCCC1 ZINC000095523356 289756778 /nfs/dbraw/zinc/75/67/78/289756778.db2.gz LCCMUZCDFODFDG-QGZVFWFLSA-N 0 0 344.846 2.926 50 0 EFAARN Cc1c[nH+]ccc1N1CCCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000096154134 292980399 /nfs/dbraw/zinc/98/03/99/292980399.db2.gz MGJQLFWDSKCESZ-UHFFFAOYSA-N 0 0 346.818 2.853 50 0 EFAARN COCc1cc(-c2nccn2C[C@H](O)C(F)(F)F)ccc1OC ZINC000077303743 293297851 /nfs/dbraw/zinc/29/78/51/293297851.db2.gz NUJBZLUOUVXFJM-ZDUSSCGKSA-N 0 0 330.306 2.628 50 0 EFAARN Cc1nc2sccc2c(N2CCNC(=O)[C@@H]2Cc2ccccc2)n1 ZINC000055384590 293562238 /nfs/dbraw/zinc/56/22/38/293562238.db2.gz RIISYTXMQPXOLL-HNNXBMFYSA-N 0 0 338.436 2.547 50 0 EFAARN CO[C@@H]1CC[C@]2(C)[C@@H]3C[C@H](O)[C@]4(C)C(=O)C[C@H](O)[C@H]4[C@@H]3CC[C@H]2C1 ZINC000257345878 293801441 /nfs/dbraw/zinc/80/14/41/293801441.db2.gz MDAYVZVRLGMYGH-HAGAMTACSA-N 0 0 336.472 2.555 50 0 EFAARN Cc1sc2[nH]c(CN3CCOCC3)nc(=O)c2c1-c1ccccc1 ZINC000019926610 294082752 /nfs/dbraw/zinc/08/27/52/294082752.db2.gz ZYOYGWZEEITFMX-UHFFFAOYSA-N 0 0 341.436 2.792 50 0 EFAARN Cn1c2nc3ccccc3n2c2c(c1=O)[C@H](c1ccccc1)CC(=O)N2 ZINC000004708284 294192951 /nfs/dbraw/zinc/19/29/51/294192951.db2.gz KFTREWYYLIVIIC-ZDUSSCGKSA-N 0 0 344.374 2.660 50 0 EFAARN Cn1nc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1C(F)(F)F ZINC000002777969 294507959 /nfs/dbraw/zinc/50/79/59/294507959.db2.gz HSESNQMHQHSAPN-UHFFFAOYSA-N 0 0 327.350 2.993 50 0 EFAARN Fc1ccccc1[C@H]1C[C@@H](c2ccc3c(c2)OCO3)Nc2nnnn21 ZINC000006758923 294771746 /nfs/dbraw/zinc/77/17/46/294771746.db2.gz NULYBLLDWAARJJ-UONOGXRCSA-N 0 0 339.330 2.687 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000005215312 295025127 /nfs/dbraw/zinc/02/51/27/295025127.db2.gz ZKGUWIPSYHYSBE-ZJUUUORDSA-N 0 0 337.253 2.647 50 0 EFAARN COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC(=O)[O-])OCCCO2 ZINC000097499472 295033228 /nfs/dbraw/zinc/03/32/28/295033228.db2.gz MNCVQSCFMWHESM-CQSZACIVSA-N 0 0 335.400 2.686 50 0 EFAARN COc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1OCC(=O)[O-] ZINC000215289826 295128411 /nfs/dbraw/zinc/12/84/11/295128411.db2.gz IILDGNCCJVQQOU-UHFFFAOYSA-N 0 0 349.427 2.551 50 0 EFAARN COc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2nccn2C)cc1C ZINC000067561036 295233076 /nfs/dbraw/zinc/23/30/76/295233076.db2.gz FIWSSAYJCZMGFK-LJQANCHMSA-N 0 0 337.427 2.608 50 0 EFAARN COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SC)n3C)cc1 ZINC000016994798 295247180 /nfs/dbraw/zinc/24/71/80/295247180.db2.gz ASYQBMKXWIXTGT-LLVKDONJSA-N 0 0 331.397 2.634 50 0 EFAARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)NC3)cc1OC ZINC000003878776 295251361 /nfs/dbraw/zinc/25/13/61/295251361.db2.gz IMUSWTWNXRSNCJ-GOSISDBHSA-N 0 0 337.379 2.666 50 0 EFAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(C)=O)c(OC)c1 ZINC000004061435 295252333 /nfs/dbraw/zinc/25/23/33/295252333.db2.gz HMFSWUSISCSEDQ-WDSOQIARSA-N 0 0 333.428 2.918 50 0 biogenic EFAARN COc1cccc([C@@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)c1 ZINC000072150701 295315096 /nfs/dbraw/zinc/31/50/96/295315096.db2.gz IIILGDCDXFTMET-INIZCTEOSA-N 0 0 349.456 2.653 50 0 EFAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCn1c(C)cccc1=O ZINC000097425012 295380539 /nfs/dbraw/zinc/38/05/39/295380539.db2.gz QEFIQZOZLQPXQU-OAHLLOKOSA-N 0 0 328.412 2.775 50 0 EFAARN O=C(C1CCN(C2=CC(=O)OC23CCCCC3)CC1)N1CCCCC1 ZINC000004776199 295447415 /nfs/dbraw/zinc/44/74/15/295447415.db2.gz MZOBQPFPUISPAG-UHFFFAOYSA-N 0 0 346.471 2.855 50 0 EFAARN C[C@]12C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019167839 300856336 /nfs/dbraw/zinc/85/63/36/300856336.db2.gz NBIADNCGQLITLE-LVCYWYKZSA-N 0 0 347.418 2.612 50 0 EFAARN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc(=O)[nH]1 ZINC000217031534 301091320 /nfs/dbraw/zinc/09/13/20/301091320.db2.gz JDFLFEPRCLUHBR-MRXNPFEDSA-N 0 0 336.395 2.927 50 0 EFAARN Cc1ccc(N2C(=S)N(C(=O)c3ccccc3)C[C@]2(C)O)cc1 ZINC000004648728 301624370 /nfs/dbraw/zinc/62/43/70/301624370.db2.gz HVNUQAOBOCNAKP-SFHVURJKSA-N 0 0 326.421 2.951 50 0 EFAARN Cc1ccc(O)c(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000072163018 301650550 /nfs/dbraw/zinc/65/05/50/301650550.db2.gz IQRPSXQWELFVJQ-FQEVSTJZSA-N 0 0 336.391 2.827 50 0 EFAARN Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)CCN1CCCCO1 ZINC000055385243 302098478 /nfs/dbraw/zinc/09/84/78/302098478.db2.gz FWMVQVGMJXDFOX-LJQANCHMSA-N 0 0 346.471 2.920 50 0 EFAARN Cn1nnc2cc([C@@H]3CC(=O)Nc4n[nH]c(-c5ccccc5)c43)ccc21 ZINC000065396578 303108037 /nfs/dbraw/zinc/10/80/37/303108037.db2.gz GETRVJSTJJOTRW-ZDUSSCGKSA-N 0 0 344.378 2.833 50 0 EFAARN NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000184433 303353029 /nfs/dbraw/zinc/35/30/29/303353029.db2.gz DLNCJIDHGFMAMX-IYSWYEEDSA-N 0 0 334.685 2.889 50 0 EFAARN O=C(C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1 ZINC000000859848 303552500 /nfs/dbraw/zinc/55/25/00/303552500.db2.gz KFZRFBNURVYFEP-UHFFFAOYSA-N 0 0 340.423 2.854 50 0 EFAARN O=C(CC1c2ccccc2CCc2ccccc21)N[C@H]1CCOC1=O ZINC000014980162 303575228 /nfs/dbraw/zinc/57/52/28/303575228.db2.gz KHHDRPZBYRXBLG-IBGZPJMESA-N 0 0 335.403 2.739 50 0 EFAARN Cc1noc(C)c1CCC(=O)NCc1noc(-c2cccs2)n1 ZINC000547730775 318035010 /nfs/dbraw/zinc/03/50/10/318035010.db2.gz UHRKMUKPXROXAX-UHFFFAOYSA-N 0 0 332.385 2.652 50 0 EFAARN O=C(NCc1nnc(-c2ccncc2)[nH]1)C1(c2ccccc2)CCCC1 ZINC000578223995 320185624 /nfs/dbraw/zinc/18/56/24/320185624.db2.gz FMGFQENHRNMPFL-UHFFFAOYSA-N 0 0 347.422 2.995 50 0 EFAARN Cc1ccc(NCCCNC(=O)N(C)C[C@H](O)c2ccccc2)nc1 ZINC000534574411 448453665 /nfs/dbraw/zinc/45/36/65/448453665.db2.gz DDJCUSVYRAISLO-KRWDZBQOSA-N 0 0 342.443 2.567 50 0 EFAARN COC(=O)c1sc(NC(=S)NC(=O)c2ccc(C)cc2)nc1C ZINC000016994236 462992159 /nfs/dbraw/zinc/99/21/59/462992159.db2.gz HBAWMXWARNDNAA-UHFFFAOYSA-N 0 0 349.437 2.673 50 0 EFAARN COC(=O)c1nc(NC(=O)Cn2ccc3ccc(F)cc32)sc1C ZINC000079495730 463220813 /nfs/dbraw/zinc/22/08/13/463220813.db2.gz FYLVZZKPTBXULA-UHFFFAOYSA-N 0 0 347.371 2.971 50 0 EFAARN O=c1ccc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2o1 ZINC000041095837 472044141 /nfs/dbraw/zinc/04/41/41/472044141.db2.gz FPZOFJSHHDYERP-UHFFFAOYSA-N 0 0 341.388 2.935 50 0 EFAARN C[C@](O)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000070639697 472500382 /nfs/dbraw/zinc/50/03/82/472500382.db2.gz VQPZYUNMSFGQCF-HNNXBMFYSA-N 0 0 343.807 2.665 50 0 EFAARN COc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000070636357 472500590 /nfs/dbraw/zinc/50/05/90/472500590.db2.gz BWTYWTSYAFETCO-MRXNPFEDSA-N 0 0 339.313 2.875 50 0 EFAARN O=C(c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3)cn2n1)N1CCCC1 ZINC000071328509 472548736 /nfs/dbraw/zinc/54/87/36/472548736.db2.gz CKDNPSKEDARQQK-UHFFFAOYSA-N 0 0 342.786 2.579 50 0 EFAARN CCCc1nnc(C(=O)N(C)Cc2ccc(OC)c3ncccc23)o1 ZINC000071388853 472548969 /nfs/dbraw/zinc/54/89/69/472548969.db2.gz CFCQVOMZAUHHHG-UHFFFAOYSA-N 0 0 340.383 2.851 50 0 EFAARN O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1Br ZINC000070639259 472500177 /nfs/dbraw/zinc/50/01/77/472500177.db2.gz HLOUBZJGUQJHJS-ZDUSSCGKSA-N 0 0 334.213 2.783 50 0 EFAARN O=S(=O)(Cc1ccccc1Cl)N1CCC2(CC1)OCCS2 ZINC000070637367 472500193 /nfs/dbraw/zinc/50/01/93/472500193.db2.gz JOQGRMBMJLDZGP-UHFFFAOYSA-N 0 0 347.889 2.725 50 0 EFAARN COc1cccc2cc(C(=O)Nc3ccc4c(c3)C(=O)NCC4)oc21 ZINC000070638277 472500272 /nfs/dbraw/zinc/50/02/72/472500272.db2.gz OXHLOPIEQARMJQ-UHFFFAOYSA-N 0 0 336.347 2.980 50 0 EFAARN Cc1nc2cc(C(=O)Nc3nnc([C@H]4CCCO4)s3)ccc2[nH]1 ZINC000095472122 473210666 /nfs/dbraw/zinc/21/06/66/473210666.db2.gz ZDFDMCABGWWDCY-GFCCVEGCSA-N 0 0 329.385 2.827 50 0 EFAARN COCCn1ccc2c1cccc2C(=O)Nc1nnc(C2CC2)[nH]1 ZINC000095472429 473210686 /nfs/dbraw/zinc/21/06/86/473210686.db2.gz XRPXJYHEUKHTGV-UHFFFAOYSA-N 0 0 325.372 2.536 50 0 EFAARN COC(=O)[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000095471298 473210892 /nfs/dbraw/zinc/21/08/92/473210892.db2.gz UAOXYHGDLKYEDD-LLVKDONJSA-N 0 0 347.440 2.747 50 0 EFAARN COc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000095476919 473211368 /nfs/dbraw/zinc/21/13/68/473211368.db2.gz APRUMKSDWYRNSP-GFCCVEGCSA-N 0 0 346.818 2.994 50 0 EFAARN COc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)nn1 ZINC000095476903 473211670 /nfs/dbraw/zinc/21/16/70/473211670.db2.gz MKDHWCSADYPRIG-UHFFFAOYSA-N 0 0 346.818 2.994 50 0 EFAARN CC(C)n1ccc2c1cccc2NC(=O)CNC(=O)c1cccnc1 ZINC000095478223 473212248 /nfs/dbraw/zinc/21/22/48/473212248.db2.gz NGVRUGJDNNGCCV-UHFFFAOYSA-N 0 0 336.395 2.986 50 0 EFAARN Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCc1ccncc1 ZINC000095478915 473212254 /nfs/dbraw/zinc/21/22/54/473212254.db2.gz VVXIQFDAOXJCDE-UHFFFAOYSA-N 0 0 338.386 2.821 50 0 EFAARN COc1cc(-c2ccnc3nc(C4CC4)nn32)cc(OC)c1OC ZINC000095478688 473212590 /nfs/dbraw/zinc/21/25/90/473212590.db2.gz FZIVCRRHOPZLGM-UHFFFAOYSA-N 0 0 326.356 2.695 50 0 EFAARN CC(C)c1sc(Br)nc1C(=O)NCCc1c[nH]cn1 ZINC000095479315 473212655 /nfs/dbraw/zinc/21/26/55/473212655.db2.gz GBBPXFLJGPOSTL-UHFFFAOYSA-N 0 0 343.250 2.725 50 0 EFAARN O=C(NCCn1ccc2ccc(Cl)cc21)c1n[nH]c2c1CCC2 ZINC000095479577 473212732 /nfs/dbraw/zinc/21/27/32/473212732.db2.gz MKIBHGUEAWUYEJ-UHFFFAOYSA-N 0 0 328.803 2.937 50 0 EFAARN Cc1cc(C)cc(CN2CCN(c3cccc([C@@H](C)O)n3)CC2=O)c1 ZINC000095497236 473213407 /nfs/dbraw/zinc/21/34/07/473213407.db2.gz GKIQRQCDUCBDGQ-MRXNPFEDSA-N 0 0 339.439 2.601 50 0 EFAARN CC(C)C[C@@H](O)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000095498947 473213422 /nfs/dbraw/zinc/21/34/22/473213422.db2.gz JKPALXTUUZLVLT-GOSISDBHSA-N 0 0 345.487 2.941 50 0 EFAARN O=C(CC[C@H]1CCCN(Cc2ncon2)C1)NCc1ccccc1F ZINC000095499388 473213580 /nfs/dbraw/zinc/21/35/80/473213580.db2.gz ABJNQPKGHQFBRG-CQSZACIVSA-N 0 0 346.406 2.517 50 0 EFAARN Cc1nc(CC2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)no1 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Cn1cc([C@@H](O)CNC(=O)c2ccc(F)c(F)c2)c2ccccc21 ZINC000096096423 473294885 /nfs/dbraw/zinc/29/48/85/473294885.db2.gz CVGKTBULZRKCNY-KRWDZBQOSA-N 0 0 330.334 2.920 50 0 EFAARN CN(C)c1cccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c1 ZINC000096096430 473294929 /nfs/dbraw/zinc/29/49/29/473294929.db2.gz WPGLXVVAVPDCPP-LJQANCHMSA-N 0 0 337.423 2.708 50 0 EFAARN CO[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccsc1 ZINC000096097467 473295031 /nfs/dbraw/zinc/29/50/31/473295031.db2.gz DUWBRBXGJDJJCV-ZDUSSCGKSA-N 0 0 338.816 2.844 50 0 EFAARN COc1ccc(CCNC(=O)NC[C@H](OC)c2ccsc2)cc1 ZINC000096097495 473295111 /nfs/dbraw/zinc/29/51/11/473295111.db2.gz VSYPBVXWDGPNHX-INIZCTEOSA-N 0 0 334.441 2.986 50 0 EFAARN O=S(=O)(NCC[C@H](O)c1cc2ccccc2o1)c1ccccc1F ZINC000096097282 473295234 /nfs/dbraw/zinc/29/52/34/473295234.db2.gz QNQLRBAYAKXDBQ-AWEZNQCLSA-N 0 0 349.383 2.974 50 0 EFAARN CC(C)c1nc(CN(C)C(=O)c2cnc(CN3CCCC3)s2)no1 ZINC000082156165 473295194 /nfs/dbraw/zinc/29/51/94/473295194.db2.gz JLEBURJTXNJWMZ-UHFFFAOYSA-N 0 0 349.460 2.518 50 0 EFAARN COc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)ccn1 ZINC000082146901 473295289 /nfs/dbraw/zinc/29/52/89/473295289.db2.gz QHRHOQXFIABILN-MRXNPFEDSA-N 0 0 340.427 2.717 50 0 EFAARN CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)n(C)n1 ZINC000082155859 473295538 /nfs/dbraw/zinc/29/55/38/473295538.db2.gz KKHYTMIUMDEFDY-GOSISDBHSA-N 0 0 342.443 2.524 50 0 EFAARN COc1ccc(N2CCN(C(=O)c3ccsc3)[C@@H](C)C2=O)cc1 ZINC000082138369 473295787 /nfs/dbraw/zinc/29/57/87/473295787.db2.gz YLDWOVFYXUHENA-LBPRGKRZSA-N 0 0 330.409 2.634 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cn2ccsc2n1 ZINC000082147040 473295921 /nfs/dbraw/zinc/29/59/21/473295921.db2.gz BTCNZPBLUJEEPY-LLVKDONJSA-N 0 0 331.445 2.556 50 0 EFAARN Cc1ccc(N2CCN(C(=O)CCc3ccccc3F)CC2=O)cc1 ZINC000082148533 473296172 /nfs/dbraw/zinc/29/61/72/473296172.db2.gz AETYPGDLEVDAFR-UHFFFAOYSA-N 0 0 340.398 2.942 50 0 EFAARN CSc1ccc([C@@H](O)CNC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000096103067 473296235 /nfs/dbraw/zinc/29/62/35/473296235.db2.gz IJSGHNQIDCZRTA-AWEZNQCLSA-N 0 0 331.393 2.601 50 0 EFAARN CCCc1cc(C(=O)NC[C@@](C)(O)c2ccc(Cl)cc2)n(C)n1 ZINC000082138890 473296464 /nfs/dbraw/zinc/29/64/64/473296464.db2.gz WVPZDMZRPCQNIM-QGZVFWFLSA-N 0 0 335.835 2.664 50 0 EFAARN COc1ccccc1S(=O)(=O)NC[C@H](OC)c1ccc(C)s1 ZINC000096104795 473296987 /nfs/dbraw/zinc/29/69/87/473296987.db2.gz AVWZLDXEUMXTFM-ZDUSSCGKSA-N 0 0 341.454 2.731 50 0 EFAARN Cc1nc(C2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)cc(=O)[nH]1 ZINC000082157526 473297090 /nfs/dbraw/zinc/29/70/90/473297090.db2.gz PFBWTOZQIZIZOR-UHFFFAOYSA-N 0 0 342.443 2.655 50 0 EFAARN O=C(c1ccccc1F)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096103396 473297164 /nfs/dbraw/zinc/29/71/64/473297164.db2.gz RHXISCRAXYCIMH-AWEZNQCLSA-N 0 0 347.411 2.904 50 0 EFAARN O=C(NCCn1ccc(-c2cccs2)n1)c1cc(C2CC2)on1 ZINC000096103856 473297363 /nfs/dbraw/zinc/29/73/63/473297363.db2.gz RKFZOFXXTKNFBM-UHFFFAOYSA-N 0 0 328.397 2.907 50 0 EFAARN Cc1cc(C)n([C@H]2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)n1 ZINC000082160650 473297419 /nfs/dbraw/zinc/29/74/19/473297419.db2.gz DNAKJJMQWDHCPD-AWEZNQCLSA-N 0 0 339.399 2.879 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 ZINC000082157728 473297630 /nfs/dbraw/zinc/29/76/30/473297630.db2.gz ACXWRIOLQHFPPM-CQSZACIVSA-N 0 0 328.460 2.763 50 0 EFAARN Cc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096104402 473297679 /nfs/dbraw/zinc/29/76/79/473297679.db2.gz FFDGCMWHUQGSBU-UHFFFAOYSA-N 0 0 349.839 2.947 50 0 EFAARN Cc1ncsc1CCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000082167116 473297789 /nfs/dbraw/zinc/29/77/89/473297789.db2.gz DRQLFEFKTYWJQO-UHFFFAOYSA-N 0 0 343.452 2.568 50 0 EFAARN O=C(c1ncc(F)cc1F)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082166994 473298167 /nfs/dbraw/zinc/29/81/67/473298167.db2.gz IWRBWXYYBADGTR-CYBMUJFWSA-N 0 0 346.381 2.986 50 0 EFAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nnc[nH]2)CC1 ZINC000082978857 473304951 /nfs/dbraw/zinc/30/49/51/473304951.db2.gz LLZVUFZRRWPKOC-UHFFFAOYSA-N 0 0 339.424 2.948 50 0 EFAARN COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(C)cc(=O)c1O ZINC000096115008 473305120 /nfs/dbraw/zinc/30/51/20/473305120.db2.gz LTZAQAGVZPPDOO-AWEZNQCLSA-N 0 0 339.347 2.897 50 0 biogenic EFAARN COc1cc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)n(C)c2cc1OC ZINC000096114544 473305307 /nfs/dbraw/zinc/30/53/07/473305307.db2.gz PFFBFGWAAGSRFY-CYBMUJFWSA-N 0 0 346.427 2.883 50 0 biogenic EFAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1ccncc1 ZINC000096114437 473305552 /nfs/dbraw/zinc/30/55/52/473305552.db2.gz CVBFVMUHILIJDJ-OAHLLOKOSA-N 0 0 337.379 2.796 50 0 biogenic EFAARN CC1(C)OC(=O)C[C@H]1C(=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096117136 473305727 /nfs/dbraw/zinc/30/57/27/473305727.db2.gz LDCULRMXPZLDMH-ZDUSSCGKSA-N 0 0 343.427 2.734 50 0 EFAARN COCC(=O)N1CCCc2ccc(NC(=O)Cc3ccsc3)cc21 ZINC000096120149 473306665 /nfs/dbraw/zinc/30/66/65/473306665.db2.gz IWVAVWIBCXDHCT-UHFFFAOYSA-N 0 0 344.436 2.855 50 0 EFAARN Cc1nn(C)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 ZINC000096118190 473306692 /nfs/dbraw/zinc/30/66/92/473306692.db2.gz SSEHWVXESCQUBT-UHFFFAOYSA-N 0 0 337.383 2.614 50 0 EFAARN CO[C@](C)(CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1F ZINC000096123471 473307889 /nfs/dbraw/zinc/30/78/89/473307889.db2.gz ZPLNEYRLUUURRJ-GOSISDBHSA-N 0 0 331.343 2.846 50 0 EFAARN O=C(NCc1ccccc1F)c1noc(-c2ccc3c(c2)OCO3)n1 ZINC000096125467 473308080 /nfs/dbraw/zinc/30/80/80/473308080.db2.gz XVGODRPMWFLGCT-UHFFFAOYSA-N 0 0 341.298 2.534 50 0 EFAARN COc1ccc(/C=C/C(=O)Nc2cnn([C@H]3CCOC3)c2)cc1OC ZINC000096123073 473308578 /nfs/dbraw/zinc/30/85/78/473308578.db2.gz GEZUQOQWNNLOEG-DRDHIDPGSA-N 0 0 343.383 2.514 50 0 EFAARN Cc1nnc(-c2ccccc2-c2ccc(CNS(C)(=O)=O)cc2)o1 ZINC000096132361 473309033 /nfs/dbraw/zinc/30/90/33/473309033.db2.gz CSFXRSVPHUDIBP-UHFFFAOYSA-N 0 0 343.408 2.761 50 0 EFAARN Cc1nnc2n1[C@@H](C)CN(C(=O)CCSCc1ccccc1)C2 ZINC000096131649 473309515 /nfs/dbraw/zinc/30/95/15/473309515.db2.gz NNOJRQOQIPMKRB-ZDUSSCGKSA-N 0 0 330.457 2.813 50 0 EFAARN O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H]1COC2(CCCC2)C1 ZINC000096136952 473310977 /nfs/dbraw/zinc/31/09/77/473310977.db2.gz ZYMMWAFRHFYEBT-AWEZNQCLSA-N 0 0 345.399 2.866 50 0 EFAARN CC[C@H](O)Cn1nc(C2CCOCC2)nc1-c1cc(C)ccc1OC ZINC000096136560 473311020 /nfs/dbraw/zinc/31/10/20/473311020.db2.gz DJLYUUAHRLUQMM-HNNXBMFYSA-N 0 0 345.443 2.927 50 0 EFAARN Cc1ccccc1Cn1nc(Cn2cncn2)nc1[C@H]1CCCCO1 ZINC000096137294 473311116 /nfs/dbraw/zinc/31/11/16/473311116.db2.gz LJQORYRGPNLJHM-MRXNPFEDSA-N 0 0 338.415 2.516 50 0 EFAARN O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000096138748 473311200 /nfs/dbraw/zinc/31/12/00/473311200.db2.gz ZVZOVTZTBIIWCZ-OAHLLOKOSA-N 0 0 349.438 2.533 50 0 EFAARN Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000096139288 473311571 /nfs/dbraw/zinc/31/15/71/473311571.db2.gz UUXRTACQSZFYEV-ZVQXUQNISA-N 0 0 345.487 2.653 50 0 EFAARN COc1ccc(Cn2cc(-c3ccc(F)c(C(N)=O)c3)cn2)cc1 ZINC000096136645 473311963 /nfs/dbraw/zinc/31/19/63/473311963.db2.gz JOHPPDGLYAAOHU-UHFFFAOYSA-N 0 0 325.343 2.845 50 0 EFAARN CCCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NC)cc1Cl ZINC000096138373 473311972 /nfs/dbraw/zinc/31/19/72/473311972.db2.gz FJKMCJUFYGMXHV-CYBMUJFWSA-N 0 0 339.823 2.871 50 0 EFAARN Cc1nn(C)c2nc(N3CCC[C@H](C(=O)N4CCCCC4)C3)sc12 ZINC000096140811 473312383 /nfs/dbraw/zinc/31/23/83/473312383.db2.gz DOSFKSVRVRBKCO-ZDUSSCGKSA-N 0 0 347.488 2.567 50 0 EFAARN CN(Cc1ccc2nsnc2c1)C(=O)c1ccc2c(c1)OCCO2 ZINC000096140960 473312870 /nfs/dbraw/zinc/31/28/70/473312870.db2.gz ZHKKGIAURYQFDJ-UHFFFAOYSA-N 0 0 341.392 2.735 50 0 EFAARN O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCc2[nH]cnc2C1 ZINC000096142321 473313082 /nfs/dbraw/zinc/31/30/82/473313082.db2.gz USJAJIMYNUKASQ-HNNXBMFYSA-N 0 0 339.317 2.615 50 0 EFAARN Cc1nn(C)c2nc(NCCNC(=O)c3ccccc3Cl)sc12 ZINC000096147936 473314947 /nfs/dbraw/zinc/31/49/47/473314947.db2.gz SSMYHYDBFXKGTB-UHFFFAOYSA-N 0 0 349.847 2.834 50 0 EFAARN c1ccc(-c2ccnc(NCc3nc(-c4cccnc4)no3)n2)nc1 ZINC000096149031 473314242 /nfs/dbraw/zinc/31/42/42/473314242.db2.gz ANZXQXNVOFDUSI-UHFFFAOYSA-N 0 0 331.339 2.596 50 0 EFAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1Cc2nnc(C)n2[C@H](C)C1 ZINC000096149658 473315194 /nfs/dbraw/zinc/31/51/94/473315194.db2.gz USXSQPJALPPAPM-LLVKDONJSA-N 0 0 336.399 2.502 50 0 EFAARN Cc1nonc1OCCNC(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000096153829 473316911 /nfs/dbraw/zinc/31/69/11/473316911.db2.gz OGSJLONBGGABFI-UHFFFAOYSA-N 0 0 344.375 2.578 50 0 EFAARN Cc1cc(C)n(C[C@H](C)NC(=O)Nc2cccc3nnc(C)cc32)n1 ZINC000096165893 473321114 /nfs/dbraw/zinc/32/11/14/473321114.db2.gz LPWLRSSUKQGOPQ-ZDUSSCGKSA-N 0 0 338.415 2.962 50 0 EFAARN C[C@@H](NC(=O)CCc1nc2ccccc2[nH]c1=O)C1=CCCCC1 ZINC000096166535 473321300 /nfs/dbraw/zinc/32/13/00/473321300.db2.gz PIKMCILDANOMIO-CYBMUJFWSA-N 0 0 325.412 2.861 50 0 EFAARN CSCCc1nc(C2CCOCC2)nn1-c1nc2ccccc2[nH]1 ZINC000096164640 473321558 /nfs/dbraw/zinc/32/15/58/473321558.db2.gz BDOONCKGHGLNBC-UHFFFAOYSA-N 0 0 343.456 2.943 50 0 EFAARN Cc1ccccc1-c1noc(CCc2nc([C@H]3CCOC3)no2)n1 ZINC000096164685 473321822 /nfs/dbraw/zinc/32/18/22/473321822.db2.gz JNISOTLRGJCWTM-LBPRGKRZSA-N 0 0 326.356 2.717 50 0 EFAARN CCn1nc(C2CCOCC2)nc1[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000096165959 473321875 /nfs/dbraw/zinc/32/18/75/473321875.db2.gz KCZCPAGLOFKZLC-CQSZACIVSA-N 0 0 344.390 2.805 50 0 EFAARN Cc1ccc(C(=O)[O-])c(N2CCC[N@H+](Cc3ccccc3F)CC2)n1 ZINC000096167007 473322965 /nfs/dbraw/zinc/32/29/65/473322965.db2.gz VWZRTFVTEGPBHO-UHFFFAOYSA-N 0 0 343.402 2.940 50 0 EFAARN CC1(C)C[C@]1(c1nc(CN2CCOCC2)no1)c1ccc(F)cc1 ZINC000096180795 473323325 /nfs/dbraw/zinc/32/33/25/473323325.db2.gz QIPNHTZFBJROEJ-GOSISDBHSA-N 0 0 331.391 2.757 50 0 EFAARN CCc1ccccc1OC1CN(C(=O)CCc2csc(N)n2)C1 ZINC000096167028 473323608 /nfs/dbraw/zinc/32/36/08/473323608.db2.gz IEXYQASKDAMXLL-UHFFFAOYSA-N 0 0 331.441 2.510 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)Cc2ccccc2)c1 ZINC000096191817 473332442 /nfs/dbraw/zinc/33/24/42/473332442.db2.gz IZFQAPMDUBQEIZ-ZDUSSCGKSA-N 0 0 335.425 2.613 50 0 EFAARN CCc1nnc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000185153659 473344799 /nfs/dbraw/zinc/34/47/99/473344799.db2.gz BBZOGLCSHWWMNP-UHFFFAOYSA-N 0 0 339.365 2.708 50 0 EFAARN COc1ccccc1OCCNC(=O)c1csc(NC2CC2)n1 ZINC000096223362 473355977 /nfs/dbraw/zinc/35/59/77/473355977.db2.gz QCNTXJXRRXCNGP-UHFFFAOYSA-N 0 0 333.413 2.535 50 0 EFAARN Cc1nc2ccccc2n1CCNC(=O)c1n[nH]c2c1CCCCC2 ZINC000096230710 473358622 /nfs/dbraw/zinc/35/86/22/473358622.db2.gz TVWVATLCKMERPQ-UHFFFAOYSA-N 0 0 337.427 2.767 50 0 EFAARN CC(C)CNC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000096231326 473360672 /nfs/dbraw/zinc/36/06/72/473360672.db2.gz IGZRUXGOWYQOFJ-UHFFFAOYSA-N 0 0 341.436 2.965 50 0 EFAARN COc1cc(OC)nc(NC(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000096319159 473375235 /nfs/dbraw/zinc/37/52/35/473375235.db2.gz NXEDNQJJBDXRIX-UHFFFAOYSA-N 0 0 342.182 2.982 50 0 EFAARN Cc1ccc([C@H](CNC(=O)NCc2cccs2)OCCO)cc1 ZINC000096338375 473375489 /nfs/dbraw/zinc/37/54/89/473375489.db2.gz BVVQAGGEUCNRNY-INIZCTEOSA-N 0 0 334.441 2.606 50 0 EFAARN COc1ccc(NC(=O)NC[C@H](OCCO)c2ccc(C)cc2)cc1 ZINC000096338385 473375723 /nfs/dbraw/zinc/37/57/23/473375723.db2.gz KUIMDDJPDIAATC-SFHVURJKSA-N 0 0 344.411 2.875 50 0 EFAARN COc1ccccc1S(=O)(=O)NC[C@H](OC)c1cccc(F)c1 ZINC000096388411 473377655 /nfs/dbraw/zinc/37/76/55/473377655.db2.gz JVZOWYUBMMMMBD-HNNXBMFYSA-N 0 0 339.388 2.500 50 0 EFAARN CO[C@H](CNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1cccc(F)c1 ZINC000096388674 473377586 /nfs/dbraw/zinc/37/75/86/473377586.db2.gz OCCOJKWFQTVYDL-QGZVFWFLSA-N 0 0 344.386 2.885 50 0 EFAARN CC(C)CS(=O)(=O)C1CN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000096380096 473376521 /nfs/dbraw/zinc/37/65/21/473376521.db2.gz YTUWKPSTXHTPKX-BQYQJAHWSA-N 0 0 341.860 2.635 50 0 EFAARN CN1CCc2cc([C@@H](O)CNC(=O)c3cc4ccccc4o3)ccc21 ZINC000096362247 473377165 /nfs/dbraw/zinc/37/71/65/473377165.db2.gz WECNKKOLOIYCES-KRWDZBQOSA-N 0 0 336.391 2.889 50 0 EFAARN COC(=O)c1ccc(C(=O)NC[C@@H](OC)c2cccc(OC)c2)cc1 ZINC000096389892 473377911 /nfs/dbraw/zinc/37/79/11/473377911.db2.gz PDUMHKSGZGDBKF-QGZVFWFLSA-N 0 0 343.379 2.599 50 0 EFAARN CO[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1cccc(F)c1 ZINC000096388690 473378301 /nfs/dbraw/zinc/37/83/01/473378301.db2.gz CRBJAQDCHAUIQF-QGZVFWFLSA-N 0 0 348.418 2.636 50 0 EFAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2C)OC)c1 ZINC000096390199 473378996 /nfs/dbraw/zinc/37/89/96/473378996.db2.gz RLWKHNNRAACNHR-QGZVFWFLSA-N 0 0 349.452 2.978 50 0 EFAARN NC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000000030770 471317989 /nfs/dbraw/zinc/31/79/89/471317989.db2.gz CDMGJWJDBXPNOB-UHFFFAOYSA-N 0 0 333.185 2.729 50 0 EFAARN CCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC ZINC000000076260 471319520 /nfs/dbraw/zinc/31/95/20/471319520.db2.gz LBNIONXZNRDQCF-UHFFFAOYSA-N 0 0 337.397 2.745 50 0 EFAARN COC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1cccnc1 ZINC000000066340 471319780 /nfs/dbraw/zinc/31/97/80/471319780.db2.gz XNXOGLFTXJHZHK-MRXNPFEDSA-N 0 0 347.378 2.802 50 0 EFAARN C[C@]1(c2cccc(OCc3ccc(Cl)cc3)c2)NC(=O)NC1=O ZINC000000078291 471320284 /nfs/dbraw/zinc/32/02/84/471320284.db2.gz HTKHLWOQCQKQLW-QGZVFWFLSA-N 0 0 330.771 2.974 50 0 EFAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 ZINC000000082027 471320753 /nfs/dbraw/zinc/32/07/53/471320753.db2.gz ZUJIDNPDAQQIMJ-UHFFFAOYSA-N 0 0 338.454 2.616 50 0 EFAARN Cc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1C ZINC000000080142 471320789 /nfs/dbraw/zinc/32/07/89/471320789.db2.gz PDUABLANFYGETN-UHFFFAOYSA-N 0 0 338.473 2.518 50 0 EFAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)cc1 ZINC000000094436 471321743 /nfs/dbraw/zinc/32/17/43/471321743.db2.gz VGMUHBCTCXQKOV-UHFFFAOYSA-N 0 0 348.443 2.953 50 0 EFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1c(F)cccc1F ZINC000000090144 471321901 /nfs/dbraw/zinc/32/19/01/471321901.db2.gz JNXBWOFEIMJSBM-UHFFFAOYSA-N 0 0 347.350 2.671 50 0 EFAARN CC(=O)Nc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1 ZINC000000094108 471322438 /nfs/dbraw/zinc/32/24/38/471322438.db2.gz MKLWZZMXRFMJHO-UHFFFAOYSA-N 0 0 335.367 2.537 50 0 EFAARN COC(=O)c1cc(N[C@@H]2OC(=O)c3ccccc32)cc(C(=O)OC)c1 ZINC000000100195 471323294 /nfs/dbraw/zinc/32/32/94/471323294.db2.gz JAYUZRACKROPJC-OAHLLOKOSA-N 0 0 341.319 2.541 50 0 EFAARN CCOC(=O)N1N=C(C)C[C@@]1(O)c1ccc(Br)cc1 ZINC000000108376 471324197 /nfs/dbraw/zinc/32/41/97/471324197.db2.gz QKFSKBNCSORWAZ-CYBMUJFWSA-N 0 0 327.178 2.832 50 0 EFAARN CCn1c2nc(-c3ccc4c(c3)OCO4)[nH]c(=O)c2sc1=S ZINC000000117920 471324847 /nfs/dbraw/zinc/32/48/47/471324847.db2.gz HEDNQNDCZTWSGW-UHFFFAOYSA-N 0 0 333.394 2.931 50 0 EFAARN COc1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1 ZINC000000112350 471325049 /nfs/dbraw/zinc/32/50/49/471325049.db2.gz RIBZVCVBOLCRHY-UHFFFAOYSA-N 0 0 326.396 2.666 50 0 EFAARN NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000111390 471325204 /nfs/dbraw/zinc/32/52/04/471325204.db2.gz NPPVMCVYEYWVKJ-AWEZNQCLSA-N 0 0 337.206 2.820 50 0 EFAARN COC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCOCC1 ZINC000000119155 471325321 /nfs/dbraw/zinc/32/53/21/471325321.db2.gz VUTGNKBBJDJGAI-UHFFFAOYSA-N 0 0 340.379 2.562 50 0 EFAARN COc1cccc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)c1 ZINC000000116640 471325361 /nfs/dbraw/zinc/32/53/61/471325361.db2.gz XIZAOROGSWBANR-UHFFFAOYSA-N 0 0 343.452 2.920 50 0 EFAARN CC(=O)c1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 ZINC000000111659 471325459 /nfs/dbraw/zinc/32/54/59/471325459.db2.gz ZOEMIIMJFCBYJA-UHFFFAOYSA-N 0 0 340.452 2.803 50 0 EFAARN COc1ccc(O[C@H](C)C(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000000119752 471326182 /nfs/dbraw/zinc/32/61/82/471326182.db2.gz KBMXKHOLXHBXHL-CYBMUJFWSA-N 0 0 339.395 2.698 50 0 EFAARN CCOC(=O)[C@H]1CCCn2c(=O)c3c4c(sc3nc21)CCCC4 ZINC000000126472 471326443 /nfs/dbraw/zinc/32/64/43/471326443.db2.gz YPKAKLVINSHOEK-NSHDSACASA-N 0 0 332.425 2.777 50 0 EFAARN CNc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000000134047 471326624 /nfs/dbraw/zinc/32/66/24/471326624.db2.gz UNSBDZILRRYLEB-UHFFFAOYSA-N 0 0 329.367 2.828 50 0 EFAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F ZINC000000130216 471326951 /nfs/dbraw/zinc/32/69/51/471326951.db2.gz ZSPAWQYVSOMEGJ-UHFFFAOYSA-N 0 0 328.343 2.550 50 0 EFAARN Cc1cc(Br)cc(C)c1OCC(=O)NC[C@@H]1CCCO1 ZINC000000131418 471326987 /nfs/dbraw/zinc/32/69/87/471326987.db2.gz CUVFZRQWPDTSKT-ZDUSSCGKSA-N 0 0 342.233 2.740 50 0 EFAARN COC(=O)c1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000000132375 471327103 /nfs/dbraw/zinc/32/71/03/471327103.db2.gz CGFCIPNLRJVSST-UHFFFAOYSA-N 0 0 328.393 2.910 50 0 EFAARN COc1cc(C(=O)NC(C)C)c(Br)c(OC)c1OC ZINC000000137979 471327163 /nfs/dbraw/zinc/32/71/63/471327163.db2.gz MBOXNFQJQMSCKE-UHFFFAOYSA-N 0 0 332.194 2.613 50 0 EFAARN CC(C)=C[C@H]1[C@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C ZINC000000133685 471327277 /nfs/dbraw/zinc/32/72/77/471327277.db2.gz CXBMCYHAMVGWJQ-LSDHHAIUSA-N 0 0 331.412 2.965 50 0 in-man EFAARN O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 ZINC000000135972 471327302 /nfs/dbraw/zinc/32/73/02/471327302.db2.gz CZCCSGOHGQOHTD-GVDBMIGSSA-N 0 0 329.396 2.930 50 0 EFAARN COC(=O)c1cc(Br)ccc1NC(=O)c1ccncc1 ZINC000000137206 471327355 /nfs/dbraw/zinc/32/73/55/471327355.db2.gz MNHJJOQJXJNONU-UHFFFAOYSA-N 0 0 335.157 2.883 50 0 EFAARN O=C(NC(=S)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000000142162 471327964 /nfs/dbraw/zinc/32/79/64/471327964.db2.gz AAKXZYTWHMGZAU-UHFFFAOYSA-N 0 0 343.427 2.663 50 0 EFAARN Cn1cnc(S(=O)(=O)NCc2csc3ccc(Cl)cc23)c1 ZINC000000147975 471328269 /nfs/dbraw/zinc/32/82/69/471328269.db2.gz YTOLEGCNERKHRC-UHFFFAOYSA-N 0 0 341.845 2.767 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000143531 471328470 /nfs/dbraw/zinc/32/84/70/471328470.db2.gz HACQCGHVZICZSC-UHFFFAOYSA-N 0 0 325.777 2.631 50 0 EFAARN CCOc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 ZINC000000147174 471328500 /nfs/dbraw/zinc/32/85/00/471328500.db2.gz JKDGINSEVJAANR-UHFFFAOYSA-N 0 0 339.395 2.699 50 0 aggregator EFAARN COc1ccc(OC[C@H](O)CNC(=O)Nc2cc(F)ccc2C)cc1 ZINC000000151769 471328584 /nfs/dbraw/zinc/32/85/84/471328584.db2.gz YEIAMYCXYJDHMY-CQSZACIVSA-N 0 0 348.374 2.704 50 0 EFAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCc1ccccc1 ZINC000000151420 471328636 /nfs/dbraw/zinc/32/86/36/471328636.db2.gz VWJDSDISIDJYQA-UHFFFAOYSA-N 0 0 349.386 2.977 50 0 biogenic EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000148376 471328667 /nfs/dbraw/zinc/32/86/67/471328667.db2.gz RCWJHUAHFWCZOG-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN CSc1ncnc2ncn(CC(=O)Nc3ccc(C)c(C)c3)c21 ZINC000000171043 471330405 /nfs/dbraw/zinc/33/04/05/471330405.db2.gz JVTXQYJWMNUVIC-UHFFFAOYSA-N 0 0 327.413 2.804 50 0 EFAARN COC(=O)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000176836 471331845 /nfs/dbraw/zinc/33/18/45/471331845.db2.gz VRBPKKJIKDIQST-GDNBJRDFSA-N 0 0 325.295 2.957 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000000179640 471331917 /nfs/dbraw/zinc/33/19/17/471331917.db2.gz RNOGZXLIKIXCNY-UHFFFAOYSA-N 0 0 332.356 2.739 50 0 EFAARN NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1 ZINC000000181643 471331941 /nfs/dbraw/zinc/33/19/41/471331941.db2.gz LOXGIFDMUQOHSJ-UHFFFAOYSA-N 0 0 327.365 2.658 50 0 EFAARN COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1C ZINC000000184039 471332292 /nfs/dbraw/zinc/33/22/92/471332292.db2.gz FANPSCRELBLWCR-UHFFFAOYSA-N 0 0 329.396 2.918 50 0 EFAARN Cc1ccc(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)cc1C ZINC000000189281 471332451 /nfs/dbraw/zinc/33/24/51/471332451.db2.gz JEYHQEJSEJCSCV-UHFFFAOYSA-N 0 0 343.408 2.514 50 0 EFAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 ZINC000000184393 471332659 /nfs/dbraw/zinc/33/26/59/471332659.db2.gz HEMLHOZTHHKXFK-NEPJUHHUSA-N 0 0 340.305 2.651 50 0 EFAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 ZINC000000184398 471332802 /nfs/dbraw/zinc/33/28/02/471332802.db2.gz HEMLHOZTHHKXFK-NWDGAFQWSA-N 0 0 340.305 2.651 50 0 EFAARN O=c1c(F)cn(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000000186956 471332856 /nfs/dbraw/zinc/33/28/56/471332856.db2.gz BEVGENADFOBLDN-UHFFFAOYSA-N 0 0 346.308 2.524 50 0 EFAARN NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1 ZINC000000195347 471333270 /nfs/dbraw/zinc/33/32/70/471333270.db2.gz MKQVOJJQFZPVEX-UHFFFAOYSA-N 0 0 349.184 2.566 50 0 EFAARN COc1ccc(C)cc1Cn1c2ccccc2nc1S(C)(=O)=O ZINC000000203321 471334277 /nfs/dbraw/zinc/33/42/77/471334277.db2.gz ZAAUZYXIFWUEBV-UHFFFAOYSA-N 0 0 330.409 2.805 50 0 EFAARN COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1 ZINC000000205660 471334459 /nfs/dbraw/zinc/33/44/59/471334459.db2.gz FDXQXSCHIZXDIE-UHFFFAOYSA-N 0 0 334.401 2.993 50 0 EFAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000000205891 471334482 /nfs/dbraw/zinc/33/44/82/471334482.db2.gz BUNXJMSRSGGQCK-UHFFFAOYSA-N 0 0 327.380 2.911 50 0 biogenic EFAARN c1ccc(N2CC[NH+](C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000000207679 471334669 /nfs/dbraw/zinc/33/46/69/471334669.db2.gz RGRNCNJQNHRSLD-UHFFFAOYSA-N 0 0 336.483 2.868 50 0 EFAARN COc1ccc(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)cc1 ZINC000000202678 471334948 /nfs/dbraw/zinc/33/49/48/471334948.db2.gz GOPDTJMAMUZZSL-RDTXWAMCSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN COc1cc(OC)c(CN2CCCC[C@H]2CO)cc1Br ZINC000000211163 471335627 /nfs/dbraw/zinc/33/56/27/471335627.db2.gz OHYAVBVYCAPWGB-LBPRGKRZSA-N 0 0 344.249 2.813 50 0 EFAARN CC(C)N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O ZINC000000209992 471335686 /nfs/dbraw/zinc/33/56/86/471335686.db2.gz JTNGYOBVXOPXQL-JTQLQIEISA-N 0 0 325.206 2.645 50 0 EFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 ZINC000000210898 471336109 /nfs/dbraw/zinc/33/61/09/471336109.db2.gz OWFAMJFPSSUIPM-UHFFFAOYSA-N 0 0 338.473 2.780 50 0 EFAARN COc1cccc([C@@H]2C[C@@H](c3cccc(F)c3)n3nnnc3N2)c1 ZINC000000222431 471337697 /nfs/dbraw/zinc/33/76/97/471337697.db2.gz ASRBMUQEZSXELU-HOTGVXAUSA-N 0 0 325.347 2.967 50 0 EFAARN CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccccc1Cl ZINC000000241868 471338636 /nfs/dbraw/zinc/33/86/36/471338636.db2.gz IIXSPDSBCDGPOW-UHFFFAOYSA-N 0 0 344.864 2.555 50 0 EFAARN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2ccc(F)cc2)C1 ZINC000000240133 471338824 /nfs/dbraw/zinc/33/88/24/471338824.db2.gz UMDAKKCKBABBQV-QWHCGFSZSA-N 0 0 343.427 2.804 50 0 biogenic EFAARN O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000237664 471338976 /nfs/dbraw/zinc/33/89/76/471338976.db2.gz XAMQQUUFQMLHIB-UHFFFAOYSA-N 0 0 348.399 2.863 50 0 EFAARN COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br ZINC000000241658 471339038 /nfs/dbraw/zinc/33/90/38/471339038.db2.gz FUJSLLQDLDHOPK-UHFFFAOYSA-N 0 0 334.235 2.679 50 0 EFAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000000244498 471340138 /nfs/dbraw/zinc/34/01/38/471340138.db2.gz ICXCBSUHNIUMAW-JTQLQIEISA-N 0 0 328.755 2.963 50 0 EFAARN CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000000260710 471341305 /nfs/dbraw/zinc/34/13/05/471341305.db2.gz FXUBTSCJBLZGAY-KBPBESRZSA-N 0 0 340.807 2.506 50 0 EFAARN COc1ccc2c(c1OC)C(=O)N(c1ccc(NC(C)=O)cc1)C2 ZINC000000265453 471341375 /nfs/dbraw/zinc/34/13/75/471341375.db2.gz QAUAKSUMGRFCDI-UHFFFAOYSA-N 0 0 326.352 2.823 50 0 EFAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000000264691 471341398 /nfs/dbraw/zinc/34/13/98/471341398.db2.gz MLUYHMSVQVKSKC-UHFFFAOYSA-N 0 0 333.409 2.806 50 0 EFAARN COC(=O)c1ccccc1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000000264170 471341684 /nfs/dbraw/zinc/34/16/84/471341684.db2.gz WQPXEFKESXUPCC-UHFFFAOYSA-N 0 0 336.347 2.879 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000000269986 471342137 /nfs/dbraw/zinc/34/21/37/471342137.db2.gz WFUWHYHLVVRLEJ-UHFFFAOYSA-N 0 0 333.409 2.845 50 0 EFAARN O=C1[C@@H](Cc2c[nH]c3ccccc23)NC(=S)N1Cc1ccccc1 ZINC000000270546 471342255 /nfs/dbraw/zinc/34/22/55/471342255.db2.gz DWYPPIGSSKJBOL-QGZVFWFLSA-N 0 0 335.432 2.996 50 0 EFAARN COc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1 ZINC000000269304 471342740 /nfs/dbraw/zinc/34/27/40/471342740.db2.gz YTZNXNBAQYRBCD-UHFFFAOYSA-N 0 0 328.393 2.722 50 0 EFAARN COc1ccccc1[C@@H]1NC(=S)N=C(C)C1C(=O)OC(C)(C)C ZINC000000279849 471342913 /nfs/dbraw/zinc/34/29/13/471342913.db2.gz WKXFPHPNPASBRC-AWEZNQCLSA-N 0 0 334.441 2.830 50 0 EFAARN COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000000274566 471343047 /nfs/dbraw/zinc/34/30/47/471343047.db2.gz VSCCKLWRJVYMEW-UHFFFAOYSA-N 0 0 333.409 2.672 50 0 EFAARN CCC1=NN(C(=O)c2ccncc2)[C@@](O)(c2ccc(OC)cc2)C1 ZINC000000295892 471343348 /nfs/dbraw/zinc/34/33/48/471343348.db2.gz 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/nfs/dbraw/zinc/34/47/44/471344744.db2.gz YYTYFYCADXKXEL-UHFFFAOYSA-N 0 0 333.392 2.851 50 0 EFAARN O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000302376 471344797 /nfs/dbraw/zinc/34/47/97/471344797.db2.gz IBKROSLURNUKDB-IUODEOHRSA-N 0 0 326.318 2.868 50 0 EFAARN Cc1ccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000000296823 471344985 /nfs/dbraw/zinc/34/49/85/471344985.db2.gz DMMPBBYAEFBHNV-UHFFFAOYSA-N 0 0 325.364 2.687 50 0 EFAARN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccs1 ZINC000000303766 471345103 /nfs/dbraw/zinc/34/51/03/471345103.db2.gz ZTZJFMDWFGTWTM-UHFFFAOYSA-N 0 0 329.347 2.769 50 0 EFAARN O=S(=O)(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000000308663 471345637 /nfs/dbraw/zinc/34/56/37/471345637.db2.gz JSROHLOGQOSING-UHFFFAOYSA-N 0 0 339.800 2.590 50 0 EFAARN CC(=O)c1ccc(OCC(O)COc2ccc(C(C)=O)cc2)cc1 ZINC000000307784 471345712 /nfs/dbraw/zinc/34/57/12/471345712.db2.gz JLEZFEXCHDKALY-UHFFFAOYSA-N 0 0 328.364 2.911 50 0 EFAARN COc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1Cl ZINC000000310220 471346145 /nfs/dbraw/zinc/34/61/45/471346145.db2.gz BTIHIHBWVGQIIQ-UHFFFAOYSA-N 0 0 347.223 2.876 50 0 EFAARN Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2C)n1 ZINC000000313613 471347145 /nfs/dbraw/zinc/34/71/45/471347145.db2.gz PWFDJLFPQNZBQH-UHFFFAOYSA-N 0 0 329.219 2.808 50 0 EFAARN Cc1ccc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)cc1 ZINC000000339215 471349185 /nfs/dbraw/zinc/34/91/85/471349185.db2.gz KVAZGXILHIBXFT-SFHVURJKSA-N 0 0 338.407 2.751 50 0 EFAARN COC(=O)c1c(NC(=S)NC(=O)C2CC2)sc2c1CCCC2 ZINC000000358923 471350490 /nfs/dbraw/zinc/35/04/90/471350490.db2.gz VKSQKELHUOXMNB-UHFFFAOYSA-N 0 0 338.454 2.637 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)C1CC1 ZINC000000359142 471350757 /nfs/dbraw/zinc/35/07/57/471350757.db2.gz QXZHCCMUHLWUKI-UHFFFAOYSA-N 0 0 344.436 2.556 50 0 EFAARN COc1ccccc1C(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000352163 471350826 /nfs/dbraw/zinc/35/08/26/471350826.db2.gz KTNYFKVEQILOGW-XHDPSFHLSA-N 0 0 342.317 2.948 50 0 EFAARN O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000000365836 471351546 /nfs/dbraw/zinc/35/15/46/471351546.db2.gz NCBNKPXGPUILPZ-INIZCTEOSA-N 0 0 346.180 2.862 50 0 EFAARN CC(C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 ZINC000000367745 471351666 /nfs/dbraw/zinc/35/16/66/471351666.db2.gz FDZSBOHMJDSUPA-UHFFFAOYSA-N 0 0 338.363 2.711 50 0 EFAARN Cc1c(C(N)=O)sc(NC(=O)c2ccccc2)c1C(=O)OC(C)C ZINC000000370871 471352013 /nfs/dbraw/zinc/35/20/13/471352013.db2.gz SBNRJISRIRXCMQ-UHFFFAOYSA-N 0 0 346.408 2.973 50 0 EFAARN COc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1OC ZINC000000372385 471352122 /nfs/dbraw/zinc/35/21/22/471352122.db2.gz DAHJHDZZSWVOFZ-UHFFFAOYSA-N 0 0 342.380 2.870 50 0 EFAARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)O[C@H]2c2ccccc2)cc1 ZINC000000376887 471352618 /nfs/dbraw/zinc/35/26/18/471352618.db2.gz OCYNCNWHCGSPGK-RDJZCZTQSA-N 0 0 339.347 2.716 50 0 EFAARN CCc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccccc1 ZINC000000379590 471352947 /nfs/dbraw/zinc/35/29/47/471352947.db2.gz GAYMONLGDLIAOV-UHFFFAOYSA-N 0 0 333.409 2.617 50 0 EFAARN O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCOCC1 ZINC000000386110 471353920 /nfs/dbraw/zinc/35/39/20/471353920.db2.gz CXMXMWZTNNGNDH-UHFFFAOYSA-N 0 0 326.805 2.822 50 0 EFAARN COc1ccc(CCNS(=O)(=O)c2cc(C)ccc2C)cc1OC ZINC000000387211 471353941 /nfs/dbraw/zinc/35/39/41/471353941.db2.gz SONSURJPKBIHRW-UHFFFAOYSA-N 0 0 349.452 2.842 50 0 EFAARN CCOC(=O)c1cnc(SC)nc1NCC(=O)c1ccccc1 ZINC000000383939 471354011 /nfs/dbraw/zinc/35/40/11/471354011.db2.gz GIMQQPXXVZQQPU-UHFFFAOYSA-N 0 0 331.397 2.670 50 0 EFAARN Cc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 ZINC000000389221 471354169 /nfs/dbraw/zinc/35/41/69/471354169.db2.gz BDDOICTYOWZHDK-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1CCCc2ccccc21 ZINC000000416086 471356094 /nfs/dbraw/zinc/35/60/94/471356094.db2.gz XTIHDHOWNGAGMA-UHFFFAOYSA-N 0 0 333.391 2.684 50 0 EFAARN Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 ZINC000000424330 471358217 /nfs/dbraw/zinc/35/82/17/471358217.db2.gz PFGGWCOVDXSYMZ-UHFFFAOYSA-N 0 0 325.347 2.858 50 0 EFAARN 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328.343 2.550 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1C ZINC000000470429 471364457 /nfs/dbraw/zinc/36/44/57/471364457.db2.gz QVSAQRHPIVERKP-UHFFFAOYSA-N 0 0 337.397 2.822 50 0 EFAARN CCOC(=O)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000000471969 471364544 /nfs/dbraw/zinc/36/45/44/471364544.db2.gz DSXRZSKHQWAGNL-UHFFFAOYSA-N 0 0 333.409 2.734 50 0 EFAARN O=C(c1ccccc1Cl)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000000488884 471364931 /nfs/dbraw/zinc/36/49/31/471364931.db2.gz OLBLTPFCQXEQGP-OLZOCXBDSA-N 0 0 328.799 2.761 50 0 EFAARN CC1=C[C@](O)(C(F)(F)OC(F)(F)F)N(C(=O)c2ccccc2)N1 ZINC000000479744 471364954 /nfs/dbraw/zinc/36/49/54/471364954.db2.gz OSXQGVXUZCVJQO-NSHDSACASA-N 0 0 338.232 2.726 50 0 EFAARN CCN(CC)C(=O)[C@H]1C(=O)N[C@]23CCCC[C@H]2[C@H]1c1ccccc1O3 ZINC000000488166 471365038 /nfs/dbraw/zinc/36/50/38/471365038.db2.gz JSJFBZNXGZNREY-MCNSXXNHSA-N 0 0 342.439 2.664 50 0 biogenic EFAARN Cc1cccc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)c1 ZINC000000480415 471365214 /nfs/dbraw/zinc/36/52/14/471365214.db2.gz GFFGQEZRMCEREP-SFHVURJKSA-N 0 0 338.407 2.751 50 0 EFAARN COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(N)=O)c32)cc1 ZINC000000487892 471365289 /nfs/dbraw/zinc/36/52/89/471365289.db2.gz KRDNVTFSBKNJPV-UHFFFAOYSA-N 0 0 339.347 2.641 50 0 biogenic EFAARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1C ZINC000000479649 471365433 /nfs/dbraw/zinc/36/54/33/471365433.db2.gz YIIOQNZNHNSROZ-UHFFFAOYSA-N 0 0 335.381 2.591 50 0 EFAARN CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(N)=O)C1 ZINC000000483796 471365464 /nfs/dbraw/zinc/36/54/64/471365464.db2.gz MDBDGNTXYRVBOI-PWSUYJOCSA-N 0 0 336.457 2.870 50 0 EFAARN COC(=O)Cc1c(C)c2ccc(O[C@@H]3CCCCC3=O)cc2oc1=O ZINC000000488855 471365490 /nfs/dbraw/zinc/36/54/90/471365490.db2.gz JCVYJCPYWIJUIX-MRXNPFEDSA-N 0 0 344.363 2.707 50 0 biogenic EFAARN CN(c1ccc(C(=O)Nc2ccc(F)cc2F)cc1)S(C)(=O)=O ZINC000000479664 471365747 /nfs/dbraw/zinc/36/57/47/471365747.db2.gz BRWUWYCXIINWIU-UHFFFAOYSA-N 0 0 340.351 2.613 50 0 EFAARN Cc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 ZINC000000524129 471367264 /nfs/dbraw/zinc/36/72/64/471367264.db2.gz OXANPELCYHGOLI-LFIBNONCSA-N 0 0 333.416 2.983 50 0 EFAARN Cc1ccccc1-n1c(NN)nc2sc3c(c2c1=O)CCCC3 ZINC000000509575 471368074 /nfs/dbraw/zinc/36/80/74/471368074.db2.gz AANAFJGZUDKWOR-UHFFFAOYSA-N 0 0 326.425 2.920 50 0 EFAARN Cc1ccc(-c2nn(CCC(=O)N(C)C)c(=O)c3ccccc32)cc1 ZINC000000527364 471368308 /nfs/dbraw/zinc/36/83/08/471368308.db2.gz UXVVOXVZPYHBHC-UHFFFAOYSA-N 0 0 335.407 2.850 50 0 EFAARN COc1ccccc1NC(=O)[C@H]1CC(=O)n2c3ccccc3nc2N1 ZINC000000529007 471368358 /nfs/dbraw/zinc/36/83/58/471368358.db2.gz GYPOQVLMUYHGPZ-CYBMUJFWSA-N 0 0 336.351 2.508 50 0 EFAARN CCCn1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 ZINC000000527571 471368446 /nfs/dbraw/zinc/36/84/46/471368446.db2.gz JOVDGXCJMWHVIR-UHFFFAOYSA-N 0 0 337.383 2.914 50 0 EFAARN CCN1CCO[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O ZINC000000546205 471369407 /nfs/dbraw/zinc/36/94/07/471369407.db2.gz ZGQMEJOFVVNQEK-LBPRGKRZSA-N 0 0 331.199 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471490554 /nfs/dbraw/zinc/49/05/54/471490554.db2.gz CNQMDWHEUMCDEM-HNNXBMFYSA-N 0 0 345.443 2.823 50 0 EFAARN CC1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000005195376 471491614 /nfs/dbraw/zinc/49/16/14/471491614.db2.gz RNGAUGYPKWGPPQ-CQSZACIVSA-N 0 0 335.835 2.887 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccccn3)ccc12 ZINC000005205849 471491670 /nfs/dbraw/zinc/49/16/70/471491670.db2.gz LECHJFSMLWDJNF-ZDUSSCGKSA-N 0 0 338.363 2.580 50 0 biogenic EFAARN COc1ccc(C(=O)NN2CCc3cc4ccc(OC)cc4nc32)cc1 ZINC000005246238 471493910 /nfs/dbraw/zinc/49/39/10/471493910.db2.gz OHSLVIUVAZOXAH-UHFFFAOYSA-N 0 0 349.390 2.960 50 0 EFAARN O=C(CSc1nccc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000005237490 471494246 /nfs/dbraw/zinc/49/42/46/471494246.db2.gz ZKDYXGORBQTHAX-UHFFFAOYSA-N 0 0 329.303 2.520 50 0 EFAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1cc(F)ccc1F ZINC000005253404 471494880 /nfs/dbraw/zinc/49/48/80/471494880.db2.gz ZQGGYUKMRVIIID-UHFFFAOYSA-N 0 0 349.724 2.967 50 0 EFAARN COc1ccc(C)cc1NC(=O)C(=O)NCCCc1ccccc1 ZINC000005250868 471495009 /nfs/dbraw/zinc/49/50/09/471495009.db2.gz KXXHYDUCNPTHIM-UHFFFAOYSA-N 0 0 326.396 2.691 50 0 EFAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1cccnc1Cl ZINC000005253401 471495568 /nfs/dbraw/zinc/49/55/68/471495568.db2.gz HGELPTLCWYVPJY-UHFFFAOYSA-N 0 0 349.177 2.737 50 0 EFAARN CC(C)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 ZINC000005271342 471497904 /nfs/dbraw/zinc/49/79/04/471497904.db2.gz RMAVQYBBXSBFAT-UHFFFAOYSA-N 0 0 336.395 2.944 50 0 EFAARN COc1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCCC1=O ZINC000005329349 471499677 /nfs/dbraw/zinc/49/96/77/471499677.db2.gz IOKYYWVBEFVEDV-UHFFFAOYSA-N 0 0 346.408 2.623 50 0 EFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccccc1F ZINC000005339271 471500027 /nfs/dbraw/zinc/50/00/27/471500027.db2.gz WWLLLBUGSOJDMA-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000005388200 471502365 /nfs/dbraw/zinc/50/23/65/471502365.db2.gz RTNKVSDCMTWUKT-UHFFFAOYSA-N 0 0 349.390 2.948 50 0 EFAARN C[C@H](NC(=O)c1ccccc1Br)c1nnc2ccccn21 ZINC000005452064 471506439 /nfs/dbraw/zinc/50/64/39/471506439.db2.gz YDMPBDWDZRJQTQ-JTQLQIEISA-N 0 0 345.200 2.983 50 0 EFAARN O=c1c2[nH]c3cccc(Cl)c3c2ncn1CCCn1ccnc1 ZINC000005461471 471506951 /nfs/dbraw/zinc/50/69/51/471506951.db2.gz CFMHRMIKRLXAHN-UHFFFAOYSA-N 0 0 327.775 2.818 50 0 EFAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000005453113 471506994 /nfs/dbraw/zinc/50/69/94/471506994.db2.gz KREZUMCQIDLSAL-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN Cc1cc(-c2nnc3sc(COc4ccc(C)cc4)nn32)[nH]n1 ZINC000005458914 471507242 /nfs/dbraw/zinc/50/72/42/471507242.db2.gz MTRAACVZQYLMEC-UHFFFAOYSA-N 0 0 326.385 2.772 50 0 EFAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1ccc(C)cc1 ZINC000005473807 471508162 /nfs/dbraw/zinc/50/81/62/471508162.db2.gz DJOUGCAFBCQVTM-UHFFFAOYSA-N 0 0 346.408 2.893 50 0 EFAARN Cc1ccccc1NC(=O)c1n[nH]cc1I ZINC000005490955 471509024 /nfs/dbraw/zinc/50/90/24/471509024.db2.gz SJBGMWLBKNDSJI-UHFFFAOYSA-N 0 0 327.125 2.575 50 0 EFAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCCO ZINC000005574931 471510808 /nfs/dbraw/zinc/51/08/08/471510808.db2.gz ZKLMIBJHDUKUJK-KRWDZBQOSA-N 0 0 335.359 2.721 50 0 EFAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000005571269 471510897 /nfs/dbraw/zinc/51/08/97/471510897.db2.gz KYVIXHGYXVALGC-UHFFFAOYSA-N 0 0 330.453 2.814 50 0 EFAARN O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000005604013 471512257 /nfs/dbraw/zinc/51/22/57/471512257.db2.gz APJRRHLODDFXAC-UHFFFAOYSA-N 0 0 330.409 2.723 50 0 EFAARN O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccccc1C(F)(F)F ZINC000005614653 471513576 /nfs/dbraw/zinc/51/35/76/471513576.db2.gz GFZISTFECPQLEW-UHFFFAOYSA-N 0 0 345.302 2.637 50 0 EFAARN CCOc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1 ZINC000005630564 471513944 /nfs/dbraw/zinc/51/39/44/471513944.db2.gz YTEWBJRJZCJFLP-UHFFFAOYSA-N 0 0 327.380 2.601 50 0 EFAARN CCn1c(=S)[nH]nc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005679280 471516415 /nfs/dbraw/zinc/51/64/15/471516415.db2.gz SUQXVXZIPDXCSQ-MRVPVSSYSA-N 0 0 346.865 2.653 50 0 EFAARN COc1cc([C@@H]([NH3+])CC(=O)[O-])ccc1OCc1cnc(Cl)s1 ZINC000005702262 471517430 /nfs/dbraw/zinc/51/74/30/471517430.db2.gz ZHJHJKWOHLTZEQ-JTQLQIEISA-N 0 0 342.804 2.859 50 0 EFAARN COC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000005729679 471518927 /nfs/dbraw/zinc/51/89/27/471518927.db2.gz DQFQSWLRJGZJOV-UHFFFAOYSA-N 0 0 326.304 2.717 50 0 biogenic EFAARN COc1cccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)c1 ZINC000005778106 471519845 /nfs/dbraw/zinc/51/98/45/471519845.db2.gz QHSUJSLCSKYMGN-UHFFFAOYSA-N 0 0 327.380 2.785 50 0 EFAARN COC(=O)c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 ZINC000005880131 471524108 /nfs/dbraw/zinc/52/41/08/471524108.db2.gz BKPMNWZVSJHOBA-UHFFFAOYSA-N 0 0 345.376 2.674 50 0 EFAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC[C@H]1CCCO1 ZINC000005928508 471525642 /nfs/dbraw/zinc/52/56/42/471525642.db2.gz QBNLMXQRPLAJKP-SNVBAGLBSA-N 0 0 325.821 2.604 50 0 EFAARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000005902436 471525758 /nfs/dbraw/zinc/52/57/58/471525758.db2.gz OQNLGDZCDKFPFW-AWEZNQCLSA-N 0 0 347.396 2.673 50 0 EFAARN CCOC(=O)Cc1nc2ccccc2n(Cc2cccc(C)c2)c1=O ZINC000005952825 471526421 /nfs/dbraw/zinc/52/64/21/471526421.db2.gz SWCRNFYJYTYWFV-UHFFFAOYSA-N 0 0 336.391 2.859 50 0 EFAARN NC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000005938341 471526773 /nfs/dbraw/zinc/52/67/73/471526773.db2.gz AJIZKQCODPBQFT-CQSZACIVSA-N 0 0 341.392 2.877 50 0 EFAARN NC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000005938340 471527267 /nfs/dbraw/zinc/52/72/67/471527267.db2.gz AJIZKQCODPBQFT-AWEZNQCLSA-N 0 0 341.392 2.877 50 0 EFAARN COc1ccc(-c2nc(SCC(=O)N3CCC(C)CC3)n[nH]2)cc1 ZINC000006154795 471534290 /nfs/dbraw/zinc/53/42/90/471534290.db2.gz APCMYSJQWKAMQS-UHFFFAOYSA-N 0 0 346.456 2.831 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1F ZINC000006219994 471534771 /nfs/dbraw/zinc/53/47/71/471534771.db2.gz RLENYPVPNNGHLI-UHFFFAOYSA-N 0 0 347.342 2.811 50 0 EFAARN Cc1nnsc1SCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000006188257 471535867 /nfs/dbraw/zinc/53/58/67/471535867.db2.gz HAQYXKWPSXGPNQ-UHFFFAOYSA-N 0 0 349.890 2.571 50 0 EFAARN COCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000006190211 471535909 /nfs/dbraw/zinc/53/59/09/471535909.db2.gz NLNQFVHRPPBEIS-LGMDPLHJSA-N 0 0 342.395 2.512 50 0 EFAARN Cn1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1=O ZINC000006306234 471539318 /nfs/dbraw/zinc/53/93/18/471539318.db2.gz LLTHAMWRVMELPU-UHFFFAOYSA-N 0 0 347.418 2.732 50 0 EFAARN O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000006340709 471540328 /nfs/dbraw/zinc/54/03/28/471540328.db2.gz RKKBCTYXDSPTKQ-WTGUMLROSA-N 0 0 348.446 2.826 50 0 EFAARN CC(C)(C)[C@@H]1CC[C@@H]2OCCOCCOCCOCCO[C@@H]2C1 ZINC000006357368 471542139 /nfs/dbraw/zinc/54/21/39/471542139.db2.gz KEDVODGFVKTPLB-IXDOHACOSA-N 0 0 330.465 2.666 50 0 EFAARN O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000006340848 471542179 /nfs/dbraw/zinc/54/21/79/471542179.db2.gz RKKBCTYXDSPTKQ-UAFMIMERSA-N 0 0 348.446 2.826 50 0 EFAARN COc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1OC ZINC000006411679 471544721 /nfs/dbraw/zinc/54/47/21/471544721.db2.gz HBOMOQRMLGFXNB-UHFFFAOYSA-N 0 0 344.436 2.551 50 0 EFAARN O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1 ZINC000006471616 471547154 /nfs/dbraw/zinc/54/71/54/471547154.db2.gz AEORHOVSCQRRRR-CYBMUJFWSA-N 0 0 344.333 2.719 50 0 EFAARN NC(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000006542836 471549706 /nfs/dbraw/zinc/54/97/06/471549706.db2.gz FVNLCUALWIAMPD-QGZVFWFLSA-N 0 0 340.379 2.596 50 0 EFAARN CCCn1c(SCC(=O)N[C@@H](C)CC)nc2ccccc2c1=O ZINC000006560642 471550662 /nfs/dbraw/zinc/55/06/62/471550662.db2.gz WLUOYAVSEJBXDX-LBPRGKRZSA-N 0 0 333.457 2.813 50 0 EFAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N1C(=O)c2ccccc2C1=O ZINC000006587099 471552631 /nfs/dbraw/zinc/55/26/31/471552631.db2.gz FQIFGZNOZKLQQY-SECBINFHSA-N 0 0 330.290 2.588 50 0 EFAARN CCOc1ccc(NC(=O)N[C@H](CCSC)C(=O)OC)cc1 ZINC000006595766 471552767 /nfs/dbraw/zinc/55/27/67/471552767.db2.gz SSHUGWBJBHVAIH-CYBMUJFWSA-N 0 0 326.418 2.502 50 0 EFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3CCCC3)cc2O1 ZINC000006624532 471555324 /nfs/dbraw/zinc/55/53/24/471555324.db2.gz DDQIPSQHKBLJGZ-UHFFFAOYSA-N 0 0 333.384 2.574 50 0 biogenic EFAARN COc1cc(NC(=O)COC(=O)c2cccc(F)c2)cc(OC)c1 ZINC000006639451 471556093 /nfs/dbraw/zinc/55/60/93/471556093.db2.gz YTOSIAPCNJQYJT-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN COc1cc(C2N=NC(=S)N2c2cccnc2)cc(OC)c1OC ZINC000006659391 471557483 /nfs/dbraw/zinc/55/74/83/471557483.db2.gz GNUMNUMASXUDKD-UHFFFAOYSA-N 0 0 344.396 2.644 50 0 EFAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1nnc2ccccn21 ZINC000006670232 471558352 /nfs/dbraw/zinc/55/83/52/471558352.db2.gz IBCBIKCDJXMBIG-LBPRGKRZSA-N 0 0 344.802 2.509 50 0 EFAARN CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 ZINC000006673677 471558718 /nfs/dbraw/zinc/55/87/18/471558718.db2.gz WKEMXQOQZQXSES-RYUDHWBXSA-N 0 0 348.852 2.574 50 0 EFAARN CN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000006680272 471559313 /nfs/dbraw/zinc/55/93/13/471559313.db2.gz RBAUZYSKMBUAPJ-UHFFFAOYSA-N 0 0 344.845 2.904 50 0 EFAARN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(F)cc1 ZINC000006697966 471559708 /nfs/dbraw/zinc/55/97/08/471559708.db2.gz LJSKDSMCPCJXCL-UHFFFAOYSA-N 0 0 347.371 2.696 50 0 EFAARN O=C(NCCOc1ccccc1Cl)c1cccc(-n2cnnc2)c1 ZINC000006702796 471560452 /nfs/dbraw/zinc/56/04/52/471560452.db2.gz VRJBPVIKCZQVJI-UHFFFAOYSA-N 0 0 342.786 2.730 50 0 EFAARN CC(C)c1ccc(O[C@@H](C)c2nnc(SCC(N)=O)n2C)cc1 ZINC000006699610 471560655 /nfs/dbraw/zinc/56/06/55/471560655.db2.gz HKFOCVRLRWJLKI-NSHDSACASA-N 0 0 334.445 2.656 50 0 EFAARN CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000006700848 471560839 /nfs/dbraw/zinc/56/08/39/471560839.db2.gz VORXYPMYFZDVGG-UHFFFAOYSA-N 0 0 331.821 2.691 50 0 EFAARN O=C(CNC(=O)c1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000006702983 471561404 /nfs/dbraw/zinc/56/14/04/471561404.db2.gz PDMDWALOTBHKDJ-UHFFFAOYSA-N 0 0 342.464 2.959 50 0 EFAARN Cc1csc2[nH]c(SCC(=O)NCc3ccccc3)nc(=O)c12 ZINC000006703713 471561807 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ZINC000006729285 471562955 /nfs/dbraw/zinc/56/29/55/471562955.db2.gz FIPPSIXDDKCDEQ-UHFFFAOYSA-N 0 0 325.206 2.646 50 0 EFAARN CCCNS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000006725626 471562993 /nfs/dbraw/zinc/56/29/93/471562993.db2.gz NRUIVYKZCCPBQD-UHFFFAOYSA-N 0 0 346.452 2.946 50 0 EFAARN O=C(Nc1ccc(F)cc1F)N1CCN(C(=O)c2ccco2)CC1 ZINC000006726168 471563060 /nfs/dbraw/zinc/56/30/60/471563060.db2.gz DXWYWLDDFFYRBF-UHFFFAOYSA-N 0 0 335.310 2.548 50 0 EFAARN CCCn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 ZINC000006726752 471563262 /nfs/dbraw/zinc/56/32/62/471563262.db2.gz AEWNMFMHWNCJNL-UHFFFAOYSA-N 0 0 330.457 2.974 50 0 EFAARN CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000006730796 471563641 /nfs/dbraw/zinc/56/36/41/471563641.db2.gz QEHGVXFCXMMLRQ-MSOLQXFVSA-N 0 0 348.487 2.911 50 0 EFAARN COc1cc(CNC(=O)c2nc(-c3ccccc3)no2)cc(OC)c1 ZINC000006742871 471564465 /nfs/dbraw/zinc/56/44/65/471564465.db2.gz IGJYQJPKQXYURY-UHFFFAOYSA-N 0 0 339.351 2.684 50 0 EFAARN 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/nfs/dbraw/zinc/94/41/21/471944121.db2.gz WQVMWRAKCXCGFI-UHFFFAOYSA-N 0 0 337.379 2.986 50 0 EFAARN CCNS(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(C)cc2)c1 ZINC000016607344 471944185 /nfs/dbraw/zinc/94/41/85/471944185.db2.gz OTLXNVDAGOBSJK-UHFFFAOYSA-N 0 0 348.424 2.554 50 0 EFAARN O=C(c1ccc(Br)o1)N1CCN(Cc2ccco2)CC1 ZINC000016604967 471944256 /nfs/dbraw/zinc/94/42/56/471944256.db2.gz YQTZNCNKWBSVDP-UHFFFAOYSA-N 0 0 339.189 2.593 50 0 EFAARN Cc1sc2ncc(C(=O)NCc3ccc(Cl)cc3)c(=O)n2c1C ZINC000016626660 471945267 /nfs/dbraw/zinc/94/52/67/471945267.db2.gz WYDGFBJITQHSFY-UHFFFAOYSA-N 0 0 347.827 2.956 50 0 EFAARN CC[C@@H](C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000016661362 471946610 /nfs/dbraw/zinc/94/66/10/471946610.db2.gz HFZYQQJVTWBKGB-LLVKDONJSA-N 0 0 327.409 2.951 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCCCCC2)c1 ZINC000016649413 471947026 /nfs/dbraw/zinc/94/70/26/471947026.db2.gz ORWPRNYPILPERX-UHFFFAOYSA-N 0 0 342.436 2.529 50 0 EFAARN CCc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1 ZINC000016648386 471947060 /nfs/dbraw/zinc/94/70/60/471947060.db2.gz AUANLJXJAIQYET-UHFFFAOYSA-N 0 0 325.347 2.803 50 0 EFAARN COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)c(OC)cc1C ZINC000016780221 471949603 /nfs/dbraw/zinc/94/96/03/471949603.db2.gz DTBVBZCOINFNHM-UHFFFAOYSA-N 0 0 346.408 2.907 50 0 EFAARN CCc1nn(CC(=O)NC2CCCCCC2)c(=S)n1-n1cccc1 ZINC000016777922 471950015 /nfs/dbraw/zinc/95/00/15/471950015.db2.gz KUZVWRCNVSYGBH-UHFFFAOYSA-N 0 0 347.488 2.928 50 0 EFAARN COCc1nc2ccccc2n1C[C@H](O)COc1cccc(C)c1 ZINC000016903761 471951447 /nfs/dbraw/zinc/95/14/47/471951447.db2.gz JHBWKKHKQQYURE-HNNXBMFYSA-N 0 0 326.396 2.931 50 0 EFAARN Cc1cccc(N(C(=O)C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)c1C ZINC000016890148 471951988 /nfs/dbraw/zinc/95/19/88/471951988.db2.gz PBCBYBHVLDUURI-NSHDSACASA-N 0 0 333.331 2.509 50 0 EFAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000016969884 471953282 /nfs/dbraw/zinc/95/32/82/471953282.db2.gz AYEXSTRNLGYBSQ-BHOVCMIXSA-N 0 0 348.483 2.889 50 0 EFAARN CCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccccc3C)nn21 ZINC000017027201 471953389 /nfs/dbraw/zinc/95/33/89/471953389.db2.gz BUOSPFNNOASPIE-UHFFFAOYSA-N 0 0 325.372 2.934 50 0 EFAARN Cc1ccc(-n2nnnc2CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000017052239 471954243 /nfs/dbraw/zinc/95/42/43/471954243.db2.gz LNDWZCMWHXFPPF-UHFFFAOYSA-N 0 0 342.790 2.946 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2F)c(OC)c1 ZINC000017066584 471954254 /nfs/dbraw/zinc/95/42/54/471954254.db2.gz UITJUSMAEWCANG-UHFFFAOYSA-N 0 0 325.361 2.952 50 0 EFAARN CCOC(=O)Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000017045264 471954423 /nfs/dbraw/zinc/95/44/23/471954423.db2.gz AISAXWZNDRFFPO-UHFFFAOYSA-N 0 0 340.792 2.941 50 0 EFAARN Cc1nnc(NC(=O)CSc2nnc(C3CC3)n2C(C)C)s1 ZINC000017071042 471955281 /nfs/dbraw/zinc/95/52/81/471955281.db2.gz LSVHUFMNRLUYKC-UHFFFAOYSA-N 0 0 338.462 2.627 50 0 EFAARN Cc1ccnc(SCC(=O)Nc2ccc(Br)cn2)n1 ZINC000017071070 471955436 /nfs/dbraw/zinc/95/54/36/471955436.db2.gz FOIHJEORYZROLY-UHFFFAOYSA-N 0 0 339.218 2.673 50 0 EFAARN COc1cccc(OC)c1C(=O)/N=c1/sc2ccccc2n1C ZINC000017149588 471957592 /nfs/dbraw/zinc/95/75/92/471957592.db2.gz NNFCZWUQDCFPQU-ISLYRVAYSA-N 0 0 328.393 2.998 50 0 EFAARN O=C(NCc1nnnn1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000017200336 471958775 /nfs/dbraw/zinc/95/87/75/471958775.db2.gz SBNVUZYQZXGSOB-UHFFFAOYSA-N 0 0 347.300 2.611 50 0 EFAARN CCN1c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2CC1=O ZINC000017288987 471960410 /nfs/dbraw/zinc/96/04/10/471960410.db2.gz YLFSTVKXVBPHPZ-UHFFFAOYSA-N 0 0 330.409 2.705 50 0 EFAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)C1 ZINC000017841466 471964368 /nfs/dbraw/zinc/96/43/68/471964368.db2.gz WNCZPIMABVNLJT-TXEJJXNPSA-N 0 0 331.441 2.520 50 0 EFAARN CCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1C ZINC000017837213 471964517 /nfs/dbraw/zinc/96/45/17/471964517.db2.gz HYTDMEWBJLCIJO-TXEJJXNPSA-N 0 0 327.446 2.500 50 0 EFAARN Cc1cc(C(=O)CSc2nccc(=O)[nH]2)c(C)n1Cc1ccco1 ZINC000017841442 471964625 /nfs/dbraw/zinc/96/46/25/471964625.db2.gz AZKBNWMUDGWELX-UHFFFAOYSA-N 0 0 343.408 2.805 50 0 EFAARN COc1ccc(Nc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 ZINC000017993833 471967209 /nfs/dbraw/zinc/96/72/09/471967209.db2.gz CLZDYWRPFKANTP-UHFFFAOYSA-N 0 0 327.340 2.693 50 0 biogenic EFAARN O=C(CNC(=O)c1ccccc1F)Nc1ccc(F)c(F)c1F ZINC000018049536 471967448 /nfs/dbraw/zinc/96/74/48/471967448.db2.gz DNEGTJVFBUNOOU-UHFFFAOYSA-N 0 0 326.249 2.612 50 0 EFAARN CC[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)OC ZINC000018045128 471967760 /nfs/dbraw/zinc/96/77/60/471967760.db2.gz DUTFCCNJYVVJGB-LBPRGKRZSA-N 0 0 344.396 2.565 50 0 EFAARN CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)C1C(=O)OCC ZINC000018145072 471970458 /nfs/dbraw/zinc/97/04/58/471970458.db2.gz JIPFUFUUCZPYJH-OAHLLOKOSA-N 0 0 327.388 2.614 50 0 EFAARN CCCc1cc(=O)[nH]c(Nc2nc(C)c3cc(OC)ccc3n2)n1 ZINC000018193171 471972369 /nfs/dbraw/zinc/97/23/69/471972369.db2.gz JDCOTFAKKTUMPZ-UHFFFAOYSA-N 0 0 325.372 2.726 50 0 EFAARN O=C1c2ccccc2[C@@](O)(c2ncc[nH]2)N1c1ccc(Cl)cc1 ZINC000018191876 471972384 /nfs/dbraw/zinc/97/23/84/471972384.db2.gz LYJGJMIQEVLCBP-QGZVFWFLSA-N 0 0 325.755 2.917 50 0 EFAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000018227624 471973458 /nfs/dbraw/zinc/97/34/58/471973458.db2.gz NCGWOFLXLOXRBA-UHFFFAOYSA-N 0 0 343.330 2.828 50 0 EFAARN CCOC(=O)CN1NC2(CCC(C(C)(C)CC)CC2)NC1=S ZINC000018275985 471974444 /nfs/dbraw/zinc/97/44/44/471974444.db2.gz YCQNTGALEHWUOX-UHFFFAOYSA-N 0 0 327.494 2.567 50 0 EFAARN CCCCCC(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl ZINC000019228679 471979033 /nfs/dbraw/zinc/97/90/33/471979033.db2.gz CSEWWLRIUIUQLO-NSHDSACASA-N 0 0 331.671 2.711 50 0 EFAARN Brc1csc(CN2CCN(c3ncccn3)CC2)c1 ZINC000019536700 471981335 /nfs/dbraw/zinc/98/13/35/471981335.db2.gz YHFQRZPQNUZGRM-UHFFFAOYSA-N 0 0 339.262 2.623 50 0 EFAARN CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O ZINC000033337383 471984659 /nfs/dbraw/zinc/98/46/59/471984659.db2.gz PCQYMKYNXQIJLU-GXDHUFHOSA-N 0 0 340.335 2.646 50 0 EFAARN O[C@H]1CCCN(c2ccc(-c3nc(-c4ccccc4F)no3)cn2)C1 ZINC000019742029 471984807 /nfs/dbraw/zinc/98/48/07/471984807.db2.gz HURQYNZFWKLCSD-ZDUSSCGKSA-N 0 0 340.358 2.899 50 0 EFAARN Cc1cc(CN2CCN(c3ncccn3)CC2)c2ccc(F)cc2n1 ZINC000019811073 471985084 /nfs/dbraw/zinc/98/50/84/471985084.db2.gz KPABKTVVVKQLST-UHFFFAOYSA-N 0 0 337.402 2.795 50 0 EFAARN O[C@@H](COCc1ccccc1)CN1CCN(c2ccccc2F)CC1 ZINC000019809558 471985123 /nfs/dbraw/zinc/98/51/23/471985123.db2.gz YWPZLCUKMWLIJV-GOSISDBHSA-N 0 0 344.430 2.525 50 0 EFAARN C[C@@H]1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1 ZINC000019913629 471985538 /nfs/dbraw/zinc/98/55/38/471985538.db2.gz BHCOUVSYFBAXAH-HNNXBMFYSA-N 0 0 336.439 2.564 50 0 EFAARN Cn1c(=O)cc(Oc2ccc(Cl)c(Cl)c2Cl)n(C)c1=O ZINC000020031911 471987114 /nfs/dbraw/zinc/98/71/14/471987114.db2.gz UKLLUTZGQVMUJI-UHFFFAOYSA-N 0 0 335.574 2.837 50 0 EFAARN COC(=O)[C@H](c1ccccc1)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000020246809 471988518 /nfs/dbraw/zinc/98/85/18/471988518.db2.gz ZBZCXRUKPZPMDU-INIZCTEOSA-N 0 0 348.443 2.890 50 0 EFAARN CCOC(=O)c1ccc(N2CN(Cc3ccco3)CNC2=S)cc1 ZINC000020171117 471988539 /nfs/dbraw/zinc/98/85/39/471988539.db2.gz OSEWYQDUXXCASX-UHFFFAOYSA-N 0 0 345.424 2.568 50 0 EFAARN COc1ccc([C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000020218814 471988628 /nfs/dbraw/zinc/98/86/28/471988628.db2.gz HFPXVDOTRRFISI-LJQANCHMSA-N 0 0 330.403 2.690 50 0 EFAARN CN1CCc2c(sc3ncn4nc(-c5cccc(O)c5)nc4c23)C1 ZINC000020566132 471990867 /nfs/dbraw/zinc/99/08/67/471990867.db2.gz MXCTVTHSRGBJSV-UHFFFAOYSA-N 0 0 337.408 2.700 50 0 EFAARN Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000034782359 471992013 /nfs/dbraw/zinc/99/20/13/471992013.db2.gz SCDXRVSGIAKNJZ-UHFFFAOYSA-N 0 0 330.453 2.598 50 0 EFAARN COc1cc(-c2nnc(-c3cccc(N)c3)[nH]2)cc(OC)c1OC ZINC000034925950 471992646 /nfs/dbraw/zinc/99/26/46/471992646.db2.gz SKWCTPDADFKXFA-UHFFFAOYSA-N 0 0 326.356 2.747 50 0 EFAARN CC(C)c1ccc(-n2nnnc2C2(N3CCOCC3)CCCC2)cc1 ZINC000035622626 471995884 /nfs/dbraw/zinc/99/58/84/471995884.db2.gz ZLGRXKQMMFTEIE-UHFFFAOYSA-N 0 0 341.459 2.887 50 0 EFAARN Cc1cc(N)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000035587901 471995965 /nfs/dbraw/zinc/99/59/65/471995965.db2.gz VDKHCMPJUGNGIH-UHFFFAOYSA-N 0 0 325.763 2.545 50 0 EFAARN O=C(c1ccc(Cl)cc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036071019 471998150 /nfs/dbraw/zinc/99/81/50/471998150.db2.gz GOHJFFFWHDRQTC-KRWDZBQOSA-N 0 0 340.810 2.922 50 0 EFAARN Cc1cc(OCC(=O)Nc2cccc(F)c2)nc(N2CCCCC2)n1 ZINC000021360314 471999638 /nfs/dbraw/zinc/99/96/38/471999638.db2.gz VCQBQUJSEGLEQW-UHFFFAOYSA-N 0 0 344.390 2.932 50 0 EFAARN Cc1cc(NC(=O)c2ccnn2C)n(-c2nc3ccccc3s2)n1 ZINC000021684386 472003488 /nfs/dbraw/zinc/00/34/88/472003488.db2.gz DWWXCDWHQANLOI-UHFFFAOYSA-N 0 0 338.396 2.776 50 0 EFAARN O=C1CS(=O)(=O)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000022016019 472008832 /nfs/dbraw/zinc/00/88/32/472008832.db2.gz ZBWLTEQIIMRSSH-HNNXBMFYSA-N 0 0 339.775 2.939 50 0 EFAARN CCOC(=O)[C@]1(C)CC(=O)C(=O)N1c1ccc(Br)cc1 ZINC000022185109 472011077 /nfs/dbraw/zinc/01/10/77/472011077.db2.gz WZDWMYLQKLWIFU-AWEZNQCLSA-N 0 0 340.173 2.559 50 0 EFAARN O=C(NCc1ccccc1F)c1cn(Cc2ccc(F)cc2)nn1 ZINC000067264108 472011288 /nfs/dbraw/zinc/01/12/88/472011288.db2.gz BSPXFTJNGFJQHT-UHFFFAOYSA-N 0 0 328.322 2.535 50 0 EFAARN Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000023115065 472026423 /nfs/dbraw/zinc/02/64/23/472026423.db2.gz KVOUIDDAUNJCML-QGZVFWFLSA-N 0 0 344.430 2.696 50 0 EFAARN O=C1COc2cc(Cl)ccc2N1Cc1nc(-c2ccncc2)no1 ZINC000023126172 472027252 /nfs/dbraw/zinc/02/72/52/472027252.db2.gz NVLKFEHGWZYQFL-UHFFFAOYSA-N 0 0 342.742 2.711 50 0 EFAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CC(C)C)CC1 ZINC000039974991 472027469 /nfs/dbraw/zinc/02/74/69/472027469.db2.gz IVGZQJJUNRILBC-UHFFFAOYSA-N 0 0 330.881 2.611 50 0 EFAARN O=c1[nH]c(N2CCOCC2)nc2nccc(C=Cc3cccs3)c12 ZINC000040388511 472032279 /nfs/dbraw/zinc/03/22/79/472032279.db2.gz OXZPPKCWZWOCIQ-ONEGZZNKSA-N 0 0 340.408 2.799 50 0 EFAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)n1 ZINC000040513700 472035520 /nfs/dbraw/zinc/03/55/20/472035520.db2.gz KTGPQYCUQMJZSJ-LBPRGKRZSA-N 0 0 331.807 2.689 50 0 EFAARN Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000023973523 472040939 /nfs/dbraw/zinc/04/09/39/472040939.db2.gz SRLFTQVKPYSRSG-IBGZPJMESA-N 0 0 342.414 2.937 50 0 EFAARN COc1ccc(CC(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1 ZINC000023980467 472041390 /nfs/dbraw/zinc/04/13/90/472041390.db2.gz ZBTBQYXAWDQNKN-SFHVURJKSA-N 0 0 342.439 2.665 50 0 biogenic EFAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 ZINC000041014377 472043049 /nfs/dbraw/zinc/04/30/49/472043049.db2.gz NAXVVYFUZUTUCW-ZDUSSCGKSA-N 0 0 340.379 2.756 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1Br ZINC000041091687 472043653 /nfs/dbraw/zinc/04/36/53/472043653.db2.gz HRCPUPNTOMRGEI-NSHDSACASA-N 0 0 348.262 2.523 50 0 EFAARN OCCNc1nc(Nc2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000041150014 472047438 /nfs/dbraw/zinc/04/74/38/472047438.db2.gz YZMFKOKWHVTIKA-UHFFFAOYSA-N 0 0 338.367 2.549 50 0 EFAARN CSc1nc2nc(-c3ccccc3)oc2c(N2CCOCC2)n1 ZINC000041154753 472048598 /nfs/dbraw/zinc/04/85/98/472048598.db2.gz HCRNXOXQARSMSD-UHFFFAOYSA-N 0 0 328.397 2.843 50 0 EFAARN O=C(CCn1nc(-c2ccccc2)ccc1=O)NCc1ccccc1 ZINC000041253522 472050625 /nfs/dbraw/zinc/05/06/25/472050625.db2.gz HZKSWMUFMANZOF-UHFFFAOYSA-N 0 0 333.391 2.617 50 0 EFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1[C@H](C)c1ccccc1 ZINC000024334596 472051779 /nfs/dbraw/zinc/05/17/79/472051779.db2.gz KHYFJLFPHBQVQC-LLVKDONJSA-N 0 0 329.396 2.904 50 0 EFAARN Cc1noc2nc(C)cc(C(=O)Nc3ccc(Cn4cncn4)cc3)c12 ZINC000024632194 472062040 /nfs/dbraw/zinc/06/20/40/472062040.db2.gz GESXKRSHELFQTJ-UHFFFAOYSA-N 0 0 348.366 2.732 50 0 EFAARN COC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000041450608 472063541 /nfs/dbraw/zinc/06/35/41/472063541.db2.gz CNKBGEOUWUKKJA-UHFFFAOYSA-N 0 0 328.324 2.888 50 0 EFAARN COc1cc(N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000067642158 472064141 /nfs/dbraw/zinc/06/41/41/472064141.db2.gz WXWWSKQZRNMCMK-UHFFFAOYSA-N 0 0 347.846 2.960 50 0 EFAARN CC(C)NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000054317549 472076070 /nfs/dbraw/zinc/07/60/70/472076070.db2.gz SFVWQNPEQQMLRD-UHFFFAOYSA-N 0 0 326.352 2.806 50 0 EFAARN O[C@@H]1CN(c2nccc3occc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067743517 472082691 /nfs/dbraw/zinc/08/26/91/472082691.db2.gz IWNOOUGUOZABCB-DZGCQCFKSA-N 0 0 338.363 2.911 50 0 EFAARN COc1nc2ccccc2cc1-c1ncc(F)c(N2CCOCC2)n1 ZINC000067757557 472084926 /nfs/dbraw/zinc/08/49/26/472084926.db2.gz SBKMEIMNHMVITL-UHFFFAOYSA-N 0 0 340.358 2.676 50 0 EFAARN COCCN(Cc1cccs1)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000041846127 472090112 /nfs/dbraw/zinc/09/01/12/472090112.db2.gz ZMDDFNZLYHPPMA-UHFFFAOYSA-N 0 0 342.420 2.878 50 0 EFAARN c1nc2c([nH]1)[C@@H](c1ccccn1)N(Cc1ccc3c(c1)OCCO3)CC2 ZINC000067822157 472094513 /nfs/dbraw/zinc/09/45/13/472094513.db2.gz NIPKPMXWPGRYMI-HXUWFJFHSA-N 0 0 348.406 2.724 50 0 EFAARN COCc1nc(CNC2CCN(c3cccc(C)c3C)CC2)no1 ZINC000067851943 472099008 /nfs/dbraw/zinc/09/90/08/472099008.db2.gz FGVACRLEPSIGAY-UHFFFAOYSA-N 0 0 330.432 2.591 50 0 EFAARN Cc1cccc(-c2c[nH]nc2C2CCN(c3cc(N)nc(N)n3)CC2)c1 ZINC000067868043 472100840 /nfs/dbraw/zinc/10/08/40/472100840.db2.gz DYTDVVQCSAFRCS-UHFFFAOYSA-N 0 0 349.442 2.724 50 0 EFAARN O=C(NCCCN1CCOCC1)Nc1cccc(Cl)c1Cl ZINC000025663692 472107121 /nfs/dbraw/zinc/10/71/21/472107121.db2.gz YFVZQWPKACQIKA-UHFFFAOYSA-N 0 0 332.231 2.837 50 0 EFAARN Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1cnc2n1CCCC2 ZINC000067934841 472111663 /nfs/dbraw/zinc/11/16/63/472111663.db2.gz ZQRNPPQISWKAOR-UHFFFAOYSA-N 0 0 347.728 2.877 50 0 EFAARN O=C(COC(=O)c1ccnc(Cl)c1)NCCCc1ccccc1 ZINC000025859254 472114754 /nfs/dbraw/zinc/11/47/54/472114754.db2.gz FJCYMQFXIXEXBH-UHFFFAOYSA-N 0 0 332.787 2.641 50 0 EFAARN O=S(=O)(Nc1ccccc1CO)c1cccc(Br)c1 ZINC000042266948 472125645 /nfs/dbraw/zinc/12/56/45/472125645.db2.gz NKFNOBUAGUGTDA-UHFFFAOYSA-N 0 0 342.214 2.742 50 0 EFAARN COCCN(Cc1ccsc1)S(=O)(=O)c1c(F)cccc1F ZINC000042382241 472134944 /nfs/dbraw/zinc/13/49/44/472134944.db2.gz DAKUVCUKBBBSMR-UHFFFAOYSA-N 0 0 347.408 2.864 50 0 EFAARN CCCn1cnc2c1nc(NCCO)nc2Nc1ccc(C)cc1 ZINC000026532961 472141337 /nfs/dbraw/zinc/14/13/37/472141337.db2.gz YPMOCPSMSWZMER-UHFFFAOYSA-N 0 0 326.404 2.693 50 0 EFAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000075534561 472152383 /nfs/dbraw/zinc/15/23/83/472152383.db2.gz FNTOJKZQVLWKLE-OAHLLOKOSA-N 0 0 348.406 2.785 50 0 EFAARN Cc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)o1 ZINC000027022473 472159170 /nfs/dbraw/zinc/15/91/70/472159170.db2.gz LLIVTIOBBCAFDP-TYQAZIJWSA-N 0 0 335.388 2.771 50 0 EFAARN CCOC(=O)C1=C(C)Nc2nc(C(F)(F)F)nn2[C@H]1c1ccco1 ZINC000027022873 472159329 /nfs/dbraw/zinc/15/93/29/472159329.db2.gz WNHOADBVDKUSJU-JTQLQIEISA-N 0 0 342.277 2.742 50 0 EFAARN CCc1nnc(NC(=O)c2ccc(OCc3nonc3C)cc2)s1 ZINC000027795332 472196620 /nfs/dbraw/zinc/19/66/20/472196620.db2.gz NBIDXFJUTDGMTN-UHFFFAOYSA-N 0 0 345.384 2.623 50 0 EFAARN c1nnc2c3ccccc3c(N3CCN(c4ccccc4)CC3)nn12 ZINC000027795188 472196888 /nfs/dbraw/zinc/19/68/88/472196888.db2.gz PLFXTEOZCHAFPB-UHFFFAOYSA-N 0 0 330.395 2.604 50 0 EFAARN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000027794905 472197158 /nfs/dbraw/zinc/19/71/58/472197158.db2.gz YAOBDURQTKWVFX-LBPRGKRZSA-N 0 0 340.379 2.986 50 0 EFAARN C[C@@H]([C@@H]1COc2ccccc2O1)n1cnc2cc(F)ccc2c1=O ZINC000043135888 472203188 /nfs/dbraw/zinc/20/31/88/472203188.db2.gz NEYMFDJFZULCQI-GTNSWQLSSA-N 0 0 326.327 2.937 50 0 EFAARN Fc1ccccc1N1CCN(c2nn3cnnc3c3ccccc32)CC1 ZINC000027985356 472206959 /nfs/dbraw/zinc/20/69/59/472206959.db2.gz BGMKIKYNWWTJQX-UHFFFAOYSA-N 0 0 348.385 2.743 50 0 EFAARN Cc1noc(CN2CCC[C@@](C)(c3nc(-c4ccccc4)no3)C2)n1 ZINC000075876551 472213304 /nfs/dbraw/zinc/21/33/04/472213304.db2.gz QVVVJIVOQQCCMG-GOSISDBHSA-N 0 0 339.399 2.982 50 0 EFAARN COc1ccc(C(=O)N2CCC[C@@](C)(c3nc(C4CC4)no3)C2)cn1 ZINC000075876530 472213526 /nfs/dbraw/zinc/21/35/26/472213526.db2.gz GHPQMJFECAIEMZ-GOSISDBHSA-N 0 0 342.399 2.545 50 0 EFAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000028287924 472221889 /nfs/dbraw/zinc/22/18/89/472221889.db2.gz XRSXQPSRBACEJV-OAHLLOKOSA-N 0 0 344.342 2.953 50 0 EFAARN CC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(C)cc2)cc1 ZINC000028614126 472230128 /nfs/dbraw/zinc/23/01/28/472230128.db2.gz OXMDHQCDQMLAGS-UHFFFAOYSA-N 0 0 341.363 2.758 50 0 EFAARN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000028681055 472232991 /nfs/dbraw/zinc/23/29/91/472232991.db2.gz UMRYEIIXEIVFKR-UHFFFAOYSA-N 0 0 334.372 2.519 50 0 EFAARN Cc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000028937976 472243145 /nfs/dbraw/zinc/24/31/45/472243145.db2.gz UAHKYSHQLJEMFS-UHFFFAOYSA-N 0 0 347.459 2.795 50 0 EFAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cnn(Cc3ccco3)c2N1 ZINC000085411761 472245221 /nfs/dbraw/zinc/24/52/21/472245221.db2.gz CNBYZGWVTPVADN-ZDUSSCGKSA-N 0 0 337.335 2.727 50 0 EFAARN COc1ccc(SCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000085472358 472251339 /nfs/dbraw/zinc/25/13/39/472251339.db2.gz NRRHNCOUHZLLOD-UHFFFAOYSA-N 0 0 341.498 2.992 50 0 EFAARN Cc1nn(-c2ncc(NC(=O)Cc3ccc(F)cc3)cn2)c(C)c1C ZINC000085470413 472251380 /nfs/dbraw/zinc/25/13/80/472251380.db2.gz DTSSWYQQAODZIT-UHFFFAOYSA-N 0 0 339.374 2.908 50 0 EFAARN O=C(N[C@@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)C1CCC1 ZINC000085470794 472251468 /nfs/dbraw/zinc/25/14/68/472251468.db2.gz FOGSKDYSYJCTRF-CQSZACIVSA-N 0 0 340.402 2.778 50 0 EFAARN O=C(c1cc(-n2cccc2)ccn1)N1CCN(Cc2ccccc2)CC1 ZINC000085472822 472252203 /nfs/dbraw/zinc/25/22/03/472252203.db2.gz GBUYUNXPOINPOX-UHFFFAOYSA-N 0 0 346.434 2.830 50 0 EFAARN Cc1ccccc1OCC(=O)NCCc1nc(-c2ccco2)cn1C ZINC000085471259 472252420 /nfs/dbraw/zinc/25/24/20/472252420.db2.gz UBYDWEPBFWYHPT-UHFFFAOYSA-N 0 0 339.395 2.726 50 0 EFAARN COCCN(Cc1ccoc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000085474332 472253214 /nfs/dbraw/zinc/25/32/14/472253214.db2.gz GZSKSHGSLIQUHZ-HWKANZROSA-N 0 0 329.352 2.697 50 0 EFAARN O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000085560729 472257351 /nfs/dbraw/zinc/25/73/51/472257351.db2.gz KOTJUSZQEGOQLH-CQSZACIVSA-N 0 0 333.771 2.922 50 0 EFAARN Cc1ccccc1NC(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 ZINC000085561106 472257370 /nfs/dbraw/zinc/25/73/70/472257370.db2.gz DCQXBSDUYVLPAY-HNNXBMFYSA-N 0 0 328.368 2.969 50 0 EFAARN O=C(Cc1n[nH]c2ccc(F)cc12)NCCOc1ccc(F)cc1 ZINC000085558449 472257383 /nfs/dbraw/zinc/25/73/83/472257383.db2.gz WHZWXLLLXLSXRZ-UHFFFAOYSA-N 0 0 331.322 2.579 50 0 EFAARN CC[C@H](C(=O)NC[C@H](O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000085559025 472257607 /nfs/dbraw/zinc/25/76/07/472257607.db2.gz ZVKVDDKNLSQWKA-ROUUACIJSA-N 0 0 325.408 2.965 50 0 EFAARN COC(=O)c1ccc(NC(=O)C[C@@H]2CC(=O)Oc3ccccc32)cc1 ZINC000085874722 472269846 /nfs/dbraw/zinc/26/98/46/472269846.db2.gz ISZOGDRNSRZBKI-CYBMUJFWSA-N 0 0 339.347 2.895 50 0 biogenic EFAARN CC[C@@H](C)[C@@H](C(=O)NCc1cccnc1)N1Cc2ccccc2C1=O ZINC000085879048 472270309 /nfs/dbraw/zinc/27/03/09/472270309.db2.gz UGJBHICPJNHZJD-KDOFPFPSSA-N 0 0 337.423 2.769 50 0 biogenic EFAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccncc1 ZINC000043983045 472277294 /nfs/dbraw/zinc/27/72/94/472277294.db2.gz 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/nfs/dbraw/zinc/33/50/25/472335025.db2.gz MFVBXJFUNRILMG-UHFFFAOYSA-N 0 0 336.370 2.731 50 0 EFAARN O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000069419712 472338756 /nfs/dbraw/zinc/33/87/56/472338756.db2.gz FYEMELMMLZAZBQ-OAHLLOKOSA-N 0 0 344.361 2.999 50 0 EFAARN O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccsc1 ZINC000044836698 472342307 /nfs/dbraw/zinc/34/23/07/472342307.db2.gz DOBTZCTVTOUALE-UHFFFAOYSA-N 0 0 330.321 2.884 50 0 EFAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000030771700 472347851 /nfs/dbraw/zinc/34/78/51/472347851.db2.gz ZZFSEYZYITULGQ-UHFFFAOYSA-N 0 0 335.473 2.855 50 0 EFAARN C[C@H](Cc1ccc2ccccc2c1)NC(=O)CSc1nc[nH]n1 ZINC000069457634 472348524 /nfs/dbraw/zinc/34/85/24/472348524.db2.gz MQPCNCZIXURIMW-GFCCVEGCSA-N 0 0 326.425 2.797 50 0 EFAARN CC(C)Cc1cc(-c2nn3c(nnc3C(F)(F)F)s2)n(C)n1 ZINC000044893671 472349854 /nfs/dbraw/zinc/34/98/54/472349854.db2.gz GVWNYQZYCOIUJT-UHFFFAOYSA-N 0 0 330.339 2.804 50 0 EFAARN COc1ccccc1NC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000044902268 472350709 /nfs/dbraw/zinc/35/07/09/472350709.db2.gz LNIIVPMKGORFCB-UHFFFAOYSA-N 0 0 329.404 2.661 50 0 EFAARN CC(=O)Nc1cccc(NC(=O)c2cnc3ccc(F)cc3c2O)c1 ZINC000044900525 472351087 /nfs/dbraw/zinc/35/10/87/472351087.db2.gz UMOFFPJWLIYAIX-UHFFFAOYSA-N 0 0 339.326 2.878 50 0 EFAARN O=C(c1cnc2ccc(OC(F)(F)F)cc2c1O)N1CCCC1 ZINC000044903307 472351127 /nfs/dbraw/zinc/35/11/27/472351127.db2.gz PPPWDNGCXKDPLT-UHFFFAOYSA-N 0 0 326.274 2.663 50 0 EFAARN O=C(Nc1ccccc1C(=O)NC1CC1)C(=O)c1c[nH]c2ccccc12 ZINC000030952693 472355135 /nfs/dbraw/zinc/35/51/35/472355135.db2.gz XHJNIMWNERFCLX-UHFFFAOYSA-N 0 0 347.374 2.882 50 0 EFAARN CCOc1ccccc1CNC(=O)c1ccc(N2CCOCC2)cc1 ZINC000044950071 472355769 /nfs/dbraw/zinc/35/57/69/472355769.db2.gz NVPUZZFDMUBQGJ-UHFFFAOYSA-N 0 0 340.423 2.852 50 0 EFAARN Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)CSc1nc[nH]n1 ZINC000069513243 472360777 /nfs/dbraw/zinc/36/07/77/472360777.db2.gz MCLUJUMWNVNSEJ-VIFPVBQESA-N 0 0 334.376 2.968 50 0 EFAARN COC(=O)N1[C@@H]2C[C@](C)(Br)[C@](C)(Br)C[C@@H]21 ZINC000045069513 472369397 /nfs/dbraw/zinc/36/93/97/472369397.db2.gz UMWVRFNGHWUNIB-FZVWYJBASA-N 0 0 341.043 2.907 50 0 EFAARN CCN(CC)OCCCOC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000045069021 472369543 /nfs/dbraw/zinc/36/95/43/472369543.db2.gz LBEKJMABGFIJRR-UHFFFAOYSA-N 0 0 341.404 2.533 50 0 EFAARN C[C@H]1CCCCN1S(=O)(=O)N1CCC(Oc2ccccc2)CC1 ZINC000057023295 472376143 /nfs/dbraw/zinc/37/61/43/472376143.db2.gz KOHJPAZJKFEQQT-HNNXBMFYSA-N 0 0 338.473 2.649 50 0 EFAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCCO)CO1 ZINC000057128747 472384370 /nfs/dbraw/zinc/38/43/70/472384370.db2.gz SJBXKSNDHHGLFN-UHFFFAOYSA-N 0 0 337.803 2.933 50 0 EFAARN O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1ccccc1 ZINC000045251424 472386232 /nfs/dbraw/zinc/38/62/32/472386232.db2.gz JTCKUZIOJDTCBK-CQSZACIVSA-N 0 0 329.421 2.518 50 0 EFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000031819176 472397798 /nfs/dbraw/zinc/39/77/98/472397798.db2.gz ZEYJRQSTNOHPNL-VIFPVBQESA-N 0 0 327.369 2.861 50 0 EFAARN O=C(NCc1cccnc1)c1ccc2c(c1)C(=O)N(C1CCCC1)C2=O ZINC000031819487 472398277 /nfs/dbraw/zinc/39/82/77/472398277.db2.gz WKKCEFDWVSEWMJ-UHFFFAOYSA-N 0 0 349.390 2.550 50 0 EFAARN CCc1cc2c(ncnc2NCCC(=O)NCc2ccncc2)s1 ZINC000031868921 472399836 /nfs/dbraw/zinc/39/98/36/472399836.db2.gz QKBCOJZTCMSLPT-UHFFFAOYSA-N 0 0 341.440 2.767 50 0 EFAARN CCCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1 ZINC000031903956 472401048 /nfs/dbraw/zinc/40/10/48/472401048.db2.gz KDZVWGQDKOMJOW-UHFFFAOYSA-N 0 0 341.473 2.893 50 0 EFAARN Cc1cccc(N2Cc3nc(=O)n(Cc4cccc(F)c4)n3C2=O)c1 ZINC000032074371 472412306 /nfs/dbraw/zinc/41/23/06/472412306.db2.gz GZEUZFRNSVZORP-UHFFFAOYSA-N 0 0 338.342 2.529 50 0 EFAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC3CCCC3)nn1C)C2 ZINC000032071006 472412982 /nfs/dbraw/zinc/41/29/82/472412982.db2.gz UMLVGWWAMKXHQH-UHFFFAOYSA-N 0 0 341.411 2.681 50 0 EFAARN COCCNC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 ZINC000032096392 472414425 /nfs/dbraw/zinc/41/44/25/472414425.db2.gz PGAMALNBMUMYDW-UHFFFAOYSA-N 0 0 338.407 2.983 50 0 EFAARN O=C([O-])C1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000057312289 472414847 /nfs/dbraw/zinc/41/48/47/472414847.db2.gz OVHGWDWEZOEXRT-UHFFFAOYSA-N 0 0 327.380 2.578 50 0 EFAARN COc1c2c(c(NC(=O)C3CCCCC3)c3c1CN(C)CC3)OCO2 ZINC000032123820 472415290 /nfs/dbraw/zinc/41/52/90/472415290.db2.gz YJMFWMJAWJVYPQ-UHFFFAOYSA-N 0 0 346.427 2.931 50 0 biogenic EFAARN CCc1nc2c(C)nn(CC)c2c(NCc2c(C)nn(C)c2C)n1 ZINC000057355559 472420522 /nfs/dbraw/zinc/42/05/22/472420522.db2.gz ONGFWMJUODELFJ-UHFFFAOYSA-N 0 0 327.436 2.679 50 0 EFAARN CCN1C[C@H](C(=O)NCc2cccc(Oc3ccccc3)c2)CC1=O ZINC000032362797 472425888 /nfs/dbraw/zinc/42/58/88/472425888.db2.gz CUNPVJPOKLSQSS-MRXNPFEDSA-N 0 0 338.407 2.964 50 0 EFAARN Cc1ccc(CN2C[C@H](C(=O)NCc3ccccc3C)CC2=O)cc1 ZINC000032498665 472441498 /nfs/dbraw/zinc/44/14/98/472441498.db2.gz YAQNWCSRRSYZTL-LJQANCHMSA-N 0 0 336.435 2.968 50 0 EFAARN COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000057472116 472442904 /nfs/dbraw/zinc/44/29/04/472442904.db2.gz QASZMBWNECSPPL-UHFFFAOYSA-N 0 0 331.343 2.616 50 0 EFAARN CCOc1ccccc1[C@H](C)NS(=O)(=O)c1cccc2nonc21 ZINC000032578717 472443740 /nfs/dbraw/zinc/44/37/40/472443740.db2.gz RKCNGCNWNCMBRU-NSHDSACASA-N 0 0 347.396 2.661 50 0 EFAARN CCOc1cccc([C@@H](C)NS(=O)(=O)c2cccc3nonc32)c1 ZINC000032578714 472443763 /nfs/dbraw/zinc/44/37/63/472443763.db2.gz UPNQEOGEKAVYTM-LLVKDONJSA-N 0 0 347.396 2.661 50 0 EFAARN O=C(Nc1ccnn1Cc1ccco1)c1cc(=O)c2ccccc2o1 ZINC000032593512 472445187 /nfs/dbraw/zinc/44/51/87/472445187.db2.gz MOCGEXXJYZAPER-UHFFFAOYSA-N 0 0 335.319 2.883 50 0 EFAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)CC1 ZINC000032602270 472446604 /nfs/dbraw/zinc/44/66/04/472446604.db2.gz ADJBGIAVONTZFW-UHFFFAOYSA-N 0 0 337.272 2.628 50 0 EFAARN COc1cc(-c2nc(-c3ccc(N)cc3)n[nH]2)cc(OC)c1OC ZINC000032616705 472446629 /nfs/dbraw/zinc/44/66/29/472446629.db2.gz FYKTYWZHLHOSKY-UHFFFAOYSA-N 0 0 326.356 2.747 50 0 EFAARN COc1ccc(NC(=O)c2cnc3ccc(F)cc3c2O)c(OC)c1 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COc1ccccc1Cc1nc(-c2ncccc2C)n(CCCO)n1 ZINC000584891964 479272687 /nfs/dbraw/zinc/27/26/87/479272687.db2.gz QWLIFPIRPRDNKT-UHFFFAOYSA-N 0 0 338.411 2.630 50 0 EFAARN CC(C)CN(Cc1ccccn1)C(=O)NCCc1noc(C2CC2)n1 ZINC000584889234 479272877 /nfs/dbraw/zinc/27/28/77/479272877.db2.gz NGYRAMSJGYGKQY-UHFFFAOYSA-N 0 0 343.431 2.752 50 0 EFAARN CCCc1ncncc1C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000584890001 479273442 /nfs/dbraw/zinc/27/34/42/479273442.db2.gz OTNYYGBSBDOMEW-UHFFFAOYSA-N 0 0 335.411 2.853 50 0 EFAARN CNc1ccc(Cl)cc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000584889880 479273468 /nfs/dbraw/zinc/27/34/68/479273468.db2.gz HTBKBTQUJVZBDW-CYBMUJFWSA-N 0 0 345.834 2.571 50 0 EFAARN Cc1cnn([C@@H](C)C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000584895636 479273693 /nfs/dbraw/zinc/27/36/93/479273693.db2.gz KRKYBPMALICQEE-AWEZNQCLSA-N 0 0 325.416 2.904 50 0 EFAARN CC[C@H](NC(=O)N(C)CCCn1nc(C)cc1C)c1nc(C)c[nH]1 ZINC000584896793 479273726 /nfs/dbraw/zinc/27/37/26/479273726.db2.gz AGBFEEZQMYPTMZ-HNNXBMFYSA-N 0 0 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Cn1nc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c2ccccc21 ZINC000952974446 1284948325 /nfs/dbraw/zinc/94/83/25/1284948325.db2.gz JAUIAAVGYFFLJJ-UHFFFAOYSA-N 0 0 348.406 2.647 50 0 EFAARN CCc1cccc(OC2CN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)c1 ZINC000952976867 1284951439 /nfs/dbraw/zinc/95/14/39/1284951439.db2.gz IMAYFOZTMXXHOP-UHFFFAOYSA-N 0 0 349.390 2.801 50 0 EFAARN C[C@@H](O)c1nc2cc(NC(=O)c3scc4c3OCCO4)ccc2[nH]1 ZINC000952978642 1284954416 /nfs/dbraw/zinc/95/44/16/1284954416.db2.gz BMAALMXTLQLLMC-MRVPVSSYSA-N 0 0 345.380 2.701 50 0 EFAARN CN(Cc1nc(-c2ccccn2)no1)C(=O)NCCc1ccccc1 ZINC000952979243 1284958291 /nfs/dbraw/zinc/95/82/91/1284958291.db2.gz VSTNYULZUGIASJ-UHFFFAOYSA-N 0 0 337.383 2.516 50 0 EFAARN CC(C)Cc1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)[nH]c(=O)n1 ZINC000952967142 1284963377 /nfs/dbraw/zinc/96/33/77/1284963377.db2.gz GUTXWSOYQWPWOR-QGZVFWFLSA-N 0 0 343.427 2.576 50 0 EFAARN Nc1nc2c(c(C(=O)N3CC[C@H]3c3ccc(F)cc3)n1)CCCC2 ZINC000952968739 1284965175 /nfs/dbraw/zinc/96/51/75/1284965175.db2.gz 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CCN(CC)c1ccc(N)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000003885400 210083285 /nfs/dbraw/zinc/08/32/85/210083285.db2.gz ZAUAYLWAUCTLJS-UHFFFAOYSA-N 0 0 349.456 2.924 50 0 EFAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cncn2)cc1 ZINC000102167928 219188576 /nfs/dbraw/zinc/18/85/76/219188576.db2.gz VOMUAVLXWMKYJI-BJWYYQGGSA-N 0 0 340.427 2.614 50 0 EFAARN O=C(Nn1c(=O)c2ccccc2[nH]c1=S)c1ccccc1Cl ZINC000102325223 219194041 /nfs/dbraw/zinc/19/40/41/219194041.db2.gz JGVMZHACNTVAKX-UHFFFAOYSA-N 0 0 331.784 2.723 50 0 EFAARN COc1ccc(OC)c(NC(=S)NCCCn2nc(C)cc2C)c1 ZINC000003641006 210070891 /nfs/dbraw/zinc/07/08/91/210070891.db2.gz GTFTWWMMMXMXLE-UHFFFAOYSA-N 0 0 348.472 2.894 50 0 EFAARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1 ZINC000003624098 210069505 /nfs/dbraw/zinc/06/95/05/210069505.db2.gz DXVQIIKAGUMYNM-AWEZNQCLSA-N 0 0 341.338 2.605 50 0 EFAARN O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1Cl ZINC000003618067 210067528 /nfs/dbraw/zinc/06/75/28/210067528.db2.gz GTMFCZZZICCZAG-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/02/49/95/210024995.db2.gz DSLPNHYTWJOPNC-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN COc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)c(OC)c1 ZINC000003386708 210025415 /nfs/dbraw/zinc/02/54/15/210025415.db2.gz LSIAIYSIIYFVRG-UHFFFAOYSA-N 0 0 329.352 2.524 50 0 EFAARN CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(C)cc1 ZINC000102747025 219227136 /nfs/dbraw/zinc/22/71/36/219227136.db2.gz IMYUKMSLJMOROH-CFVMTHIKSA-N 0 0 332.396 2.945 50 0 EFAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)cc1 ZINC000003345741 210014965 /nfs/dbraw/zinc/01/49/65/210014965.db2.gz CMHQMPIBGIJPST-UHFFFAOYSA-N 0 0 335.791 2.533 50 0 EFAARN CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)s1 ZINC000003341694 210013004 /nfs/dbraw/zinc/01/30/04/210013004.db2.gz YKXUYFFQPOITTR-LBPRGKRZSA-N 0 0 344.440 2.655 50 0 EFAARN Cc1cc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)no1 ZINC000043983061 213604143 /nfs/dbraw/zinc/60/41/43/213604143.db2.gz BDILVBQVDVRLGV-UHFFFAOYSA-N 0 0 343.383 2.624 50 0 EFAARN COC(=O)N1CCC(CNC(=O)Nc2c(F)cccc2F)CC1 ZINC000043982871 213604342 /nfs/dbraw/zinc/60/43/42/213604342.db2.gz DRKHCDWFAILTHV-UHFFFAOYSA-N 0 0 327.331 2.565 50 0 EFAARN CCOc1ccc(-c2nnc(CC(=O)n3nc(C)cc3C)o2)cc1 ZINC000067172663 215120170 /nfs/dbraw/zinc/12/01/70/215120170.db2.gz PPBISLIOCMFANA-UHFFFAOYSA-N 0 0 326.356 2.832 50 0 EFAARN CCc1ccc(CNC(=O)COC(=O)c2ccc(OC)cc2)cc1 ZINC000067197753 215122504 /nfs/dbraw/zinc/12/25/04/215122504.db2.gz LECDUXWZJBJPGK-UHFFFAOYSA-N 0 0 327.380 2.731 50 0 EFAARN O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1 ZINC000003317513 210005344 /nfs/dbraw/zinc/00/53/44/210005344.db2.gz IIEPJQCANDOPBC-UHFFFAOYSA-N 0 0 347.754 2.542 50 0 EFAARN COC(=O)C1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1 ZINC000043842262 213600137 /nfs/dbraw/zinc/60/01/37/213600137.db2.gz QLZJFRYOLKOYIU-NSHDSACASA-N 0 0 325.792 2.519 50 0 EFAARN O=C(NCCc1cccs1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000067264165 215128992 /nfs/dbraw/zinc/12/89/92/215128992.db2.gz CHHCNAUGPPAYPQ-UHFFFAOYSA-N 0 0 332.816 2.955 50 0 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/nfs/dbraw/zinc/28/60/30/213286030.db2.gz XYTFSQXACAJTKK-UHFFFAOYSA-N 0 0 345.424 2.719 50 0 EFAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1nncs1 ZINC000040267917 213286408 /nfs/dbraw/zinc/28/64/08/213286408.db2.gz KHMGRFSBMQMWJA-UHFFFAOYSA-N 0 0 349.466 2.762 50 0 EFAARN O=C(C[C@@H]1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1 ZINC000001479660 209752913 /nfs/dbraw/zinc/75/29/13/209752913.db2.gz XZHKKZBYOJMNHN-NSHDSACASA-N 0 0 347.421 2.736 50 0 EFAARN COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3cccc(C)c32)cc1 ZINC000039921428 213243999 /nfs/dbraw/zinc/24/39/99/213243999.db2.gz SCKSMAXJNLUXFU-FQEVSTJZSA-N 0 0 339.391 2.717 50 0 EFAARN Cc1noc(-c2ccc(NCc3ccccc3-n3cncn3)nc2)n1 ZINC000039485515 213238019 /nfs/dbraw/zinc/23/80/19/213238019.db2.gz GELNDJZJWXDWLZ-UHFFFAOYSA-N 0 0 333.355 2.633 50 0 EFAARN CC(C)n1cc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cn1 ZINC000039509557 213237674 /nfs/dbraw/zinc/23/76/74/213237674.db2.gz CDBIRPDTFRCHGE-UHFFFAOYSA-N 0 0 346.475 2.719 50 0 EFAARN c1cc(-c2nn3c(CN4CCCCC4)nnc3s2)cc2c1OCO2 ZINC000039389267 213235619 /nfs/dbraw/zinc/23/56/19/213235619.db2.gz HSDLULXTGDUTRS-UHFFFAOYSA-N 0 0 343.412 2.567 50 0 EFAARN CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2NC=O)n1 ZINC000001405086 209741534 /nfs/dbraw/zinc/74/15/34/209741534.db2.gz QBZUBTYLXYGOKI-UHFFFAOYSA-N 0 0 342.380 2.741 50 0 EFAARN COc1ccccc1Oc1ccc(C(=O)N[C@H]2CCSC2=O)cn1 ZINC000001404270 209741381 /nfs/dbraw/zinc/74/13/81/209741381.db2.gz OMYOGXVKLAJGAN-LBPRGKRZSA-N 0 0 344.392 2.644 50 0 EFAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038946919 213230821 /nfs/dbraw/zinc/23/08/21/213230821.db2.gz GGBBQTINPXLLMO-HZPDHXFCSA-N 0 0 342.370 2.507 50 0 EFAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2ccnc2)cc1 ZINC000038858798 213230081 /nfs/dbraw/zinc/23/00/81/213230081.db2.gz NIXAIKZFRXYIDU-UHFFFAOYSA-N 0 0 335.363 2.590 50 0 EFAARN Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000038907426 213229998 /nfs/dbraw/zinc/22/99/98/213229998.db2.gz ZRLWTKJKTXCZNF-UHFFFAOYSA-N 0 0 334.423 2.829 50 0 EFAARN 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Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000072121847 216014618 /nfs/dbraw/zinc/01/46/18/216014618.db2.gz MMPULCCBKYYSTO-LJQANCHMSA-N 0 0 345.487 2.781 50 0 EFAARN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(Cc1csc(C)n1)CC2 ZINC000072122272 216014871 /nfs/dbraw/zinc/01/48/71/216014871.db2.gz PRFSTDVACKVUKE-HNNXBMFYSA-N 0 0 337.489 2.603 50 0 EFAARN O=C(Cc1noc(C(=O)NC2CCCCCC2)n1)Nc1ccccc1 ZINC000032070038 212784529 /nfs/dbraw/zinc/78/45/29/212784529.db2.gz ONYQKJGIRBUFMX-UHFFFAOYSA-N 0 0 342.399 2.703 50 0 EFAARN CC(C)c1cc(NCCc2noc([C@@H]3CCCO3)n2)n2nccc2n1 ZINC000072124094 216016658 /nfs/dbraw/zinc/01/66/58/216016658.db2.gz PEFXWMYXQAEBSE-ZDUSSCGKSA-N 0 0 342.403 2.742 50 0 EFAARN CN(C)C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072124082 216016899 /nfs/dbraw/zinc/01/68/99/216016899.db2.gz IXEIYQDUVZFSEO-GVDBMIGSSA-N 0 0 335.398 2.508 50 0 EFAARN CC(C)c1cc(NCCc2noc([C@H]3CCCO3)n2)n2nccc2n1 ZINC000072124095 216016909 /nfs/dbraw/zinc/01/69/09/216016909.db2.gz 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/nfs/dbraw/zinc/02/34/88/216023488.db2.gz HOPQGYMZTDMHOK-OAHLLOKOSA-N 0 0 335.411 2.819 50 0 EFAARN CCCc1oncc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 ZINC000072134417 216024181 /nfs/dbraw/zinc/02/41/81/216024181.db2.gz XDHGDOLMSOTKKP-AWEZNQCLSA-N 0 0 333.432 2.538 50 0 EFAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@](O)(CO)C1 ZINC000072137069 216025272 /nfs/dbraw/zinc/02/52/72/216025272.db2.gz BVARSLWEYVPTOD-KRWDZBQOSA-N 0 0 335.787 2.559 50 0 EFAARN CSc1nccc(N2CCC3(CC2)c2ccccc2NC3=O)n1 ZINC000072143149 216028723 /nfs/dbraw/zinc/02/87/23/216028723.db2.gz INOMQCKRWGRERH-UHFFFAOYSA-N 0 0 326.425 2.689 50 0 EFAARN C[C@@]1(O)CCN(C(=O)Cc2ccc(O)cc2)C[C@@H]1Cc1ccccc1 ZINC000072143947 216029361 /nfs/dbraw/zinc/02/93/61/216029361.db2.gz VPIPSVWQDBKZDQ-GHTZIAJQSA-N 0 0 339.435 2.777 50 0 EFAARN CC1(C)Cc2cc(-c3nccn3[C@@H]3C=CS(=O)(=O)C3)ccc2O1 ZINC000072146516 216033545 /nfs/dbraw/zinc/03/35/45/216033545.db2.gz RJLNZLKMPRSWRK-CQSZACIVSA-N 0 0 330.409 2.747 50 0 EFAARN c1ncn2c1CN(Cc1cnc(NCc3ccccc3)nc1)CCC2 ZINC000072152173 216041462 /nfs/dbraw/zinc/04/14/62/216041462.db2.gz LYXIXFVPMPEPBV-UHFFFAOYSA-N 0 0 334.427 2.691 50 0 EFAARN O=C1OCCCN1CCn1ccnc1-c1ccc(-c2cc[nH]n2)s1 ZINC000072152103 216041541 /nfs/dbraw/zinc/04/15/41/216041541.db2.gz OPYUPAONYRGFFD-UHFFFAOYSA-N 0 0 343.412 2.844 50 0 EFAARN CN1C[C@]2(CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)C2)OC1=O ZINC000072153290 216041925 /nfs/dbraw/zinc/04/19/25/216041925.db2.gz IFGALXMWPRWVFA-HNNXBMFYSA-N 0 0 343.210 2.589 50 0 EFAARN CC(C)NC(=O)c1cc(N(C)Cc2[nH]nc3c2CCCCC3)ccn1 ZINC000072147570 216035678 /nfs/dbraw/zinc/03/56/78/216035678.db2.gz JDSZCKNAXRKSMU-UHFFFAOYSA-N 0 0 341.459 2.848 50 0 EFAARN Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 ZINC000072147800 216035786 /nfs/dbraw/zinc/03/57/86/216035786.db2.gz JHUOEMVPMNYBOZ-AWEZNQCLSA-N 0 0 341.455 2.782 50 0 EFAARN CCCc1nc2c(cnn2C)c(NCc2ncc(C)c(OC)c2C)n1 ZINC000072148622 216036132 /nfs/dbraw/zinc/03/61/32/216036132.db2.gz TUYHXZDHPZPBOW-UHFFFAOYSA-N 0 0 340.431 2.948 50 0 EFAARN Cc1cnn(CCCNc2nc(C(C)(C)C)nc3c2cnn3C)c1 ZINC000072149082 216036640 /nfs/dbraw/zinc/03/66/40/216036640.db2.gz QPNOEUHJBMWIEE-UHFFFAOYSA-N 0 0 327.436 2.668 50 0 EFAARN O=C1C[C@H](Nc2cc(C3CC3)ncn2)CN1CCc1ccc(F)cc1 ZINC000072150327 216037554 /nfs/dbraw/zinc/03/75/54/216037554.db2.gz UBKWMIJPBFLVLQ-INIZCTEOSA-N 0 0 340.402 2.749 50 0 EFAARN Cc1ccccc1CC[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000072149805 216037698 /nfs/dbraw/zinc/03/76/98/216037698.db2.gz CXZCLVDHPYTAEY-MRXNPFEDSA-N 0 0 347.484 2.762 50 0 EFAARN C(CN1CCOCC1)[C@@H]1CCCCN1Cc1noc(C2CCCC2)n1 ZINC000072150317 216037763 /nfs/dbraw/zinc/03/77/63/216037763.db2.gz UGUMKULIECYLCQ-KRWDZBQOSA-N 0 0 348.491 2.804 50 0 EFAARN Cc1ccc(-c2cc(CN3CC[C@@]4(CN(C)C(=O)O4)C3)on2)cc1 ZINC000072162175 216049758 /nfs/dbraw/zinc/04/97/58/216049758.db2.gz PVHKJFSBCFYHQK-GOSISDBHSA-N 0 0 327.384 2.677 50 0 EFAARN C[NH+]1CCC(N(Cc2ccc(C(=O)[O-])cc2)Cc2cccnc2)CC1 ZINC000072161763 216050226 /nfs/dbraw/zinc/05/02/26/216050226.db2.gz SCUHHDSQSBSFRM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/04/67/84/216046784.db2.gz SCPYWQNEXWEELA-KRWDZBQOSA-N 0 0 342.418 2.742 50 0 EFAARN COCCc1noc(-c2cn(Cc3cccc4ccccc43)nn2)n1 ZINC000072157403 216047091 /nfs/dbraw/zinc/04/70/91/216047091.db2.gz GUHKDVNHTNIIEY-UHFFFAOYSA-N 0 0 335.367 2.719 50 0 EFAARN COc1ccc(-c2csc(CCNC(=O)[C@H]3CCCO3)n2)cc1 ZINC000031848768 212753448 /nfs/dbraw/zinc/75/34/48/212753448.db2.gz BUDPUQXFGIUTPF-OAHLLOKOSA-N 0 0 332.425 2.656 50 0 EFAARN COc1ccccc1-n1cc(C(=O)N2CC(c3cccnc3)C2)cn1 ZINC000072164949 216054165 /nfs/dbraw/zinc/05/41/65/216054165.db2.gz PLZMDFMQVONWEX-UHFFFAOYSA-N 0 0 334.379 2.516 50 0 EFAARN CNC(=O)c1noc(CN2CCC[C@H](CCc3ccccc3C)C2)n1 ZINC000072166009 216056542 /nfs/dbraw/zinc/05/65/42/216056542.db2.gz DUYDANLGDSRAHJ-OAHLLOKOSA-N 0 0 342.443 2.582 50 0 EFAARN CC(C)CCn1c2ccccc2nc1CN1CCC[C@](O)(CO)CC1 ZINC000072168125 216059817 /nfs/dbraw/zinc/05/98/17/216059817.db2.gz XOFGZMJTTYIZGN-HXUWFJFHSA-N 0 0 345.487 2.792 50 0 EFAARN O=C(C1CC1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 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O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270659 216093459 /nfs/dbraw/zinc/09/34/59/216093459.db2.gz VOFQENQIRRLVSD-KBXCAEBGSA-N 0 0 342.418 2.748 50 0 EFAARN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270637 216093562 /nfs/dbraw/zinc/09/35/62/216093562.db2.gz BCNVLBLICBUQPK-NEPJUHHUSA-N 0 0 333.823 2.665 50 0 EFAARN CCOC(=O)N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000000378035 209558675 /nfs/dbraw/zinc/55/86/75/209558675.db2.gz OZJFHCADTAVDMY-UHFFFAOYSA-N 0 0 327.837 2.811 50 0 EFAARN COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000379600 209560057 /nfs/dbraw/zinc/56/00/57/209560057.db2.gz SRTYDPOAMHYMIW-UHFFFAOYSA-N 0 0 347.436 2.980 50 0 EFAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000000363763 209552134 /nfs/dbraw/zinc/55/21/34/209552134.db2.gz VCXFBPYXDSUCQY-UHFFFAOYSA-N 0 0 335.381 2.673 50 0 EFAARN CCc1nnc(SCc2ccc(OC)c(Br)c2)n1N ZINC000000305912 209526983 /nfs/dbraw/zinc/52/69/83/209526983.db2.gz KWJSYXNASKWUOJ-UHFFFAOYSA-N 0 0 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O=C(Nc1ccccc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000075172239 216595259 /nfs/dbraw/zinc/59/52/59/216595259.db2.gz XFXBNMZVGHFHRD-UHFFFAOYSA-N 0 0 348.410 2.621 50 0 EFAARN COCCN1C[C@H](Cc2ccc(OC)c(C(F)(F)F)c2)CC1=O ZINC000252499356 240307301 /nfs/dbraw/zinc/30/73/01/240307301.db2.gz RZFYRKVDXPUBBB-GFCCVEGCSA-N 0 0 331.334 2.751 50 0 EFAARN c1sc(-c2ccccc2)nc1CN1CCN(c2ncccn2)CC1 ZINC000022201100 212282790 /nfs/dbraw/zinc/28/27/90/212282790.db2.gz SQZJSXOPKTUEQV-UHFFFAOYSA-N 0 0 337.452 2.922 50 0 EFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000195599696 241029627 /nfs/dbraw/zinc/02/96/27/241029627.db2.gz KZGUSOORCRPXRT-IOASZLSFSA-N 0 0 336.457 2.702 50 0 EFAARN CCOc1ccccc1C(=O)NC[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000211087432 241078829 /nfs/dbraw/zinc/07/88/29/241078829.db2.gz JSWQEISRTATRQG-OAHLLOKOSA-N 0 0 345.395 2.566 50 0 EFAARN CCn1cc(Cl)c(C(=O)NCc2cccc(-n3cccn3)c2)n1 ZINC000215055044 241103162 /nfs/dbraw/zinc/10/31/62/241103162.db2.gz NJMNUNBPWYLNJU-UHFFFAOYSA-N 0 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COc1ccc2c(c1)[C@H](C(=O)NCc1nc(C)c(C)s1)CC(=O)N2 ZINC000019731964 212058662 /nfs/dbraw/zinc/05/86/62/212058662.db2.gz RZZJEGHHUZGYIT-CYBMUJFWSA-N 0 0 345.424 2.511 50 0 EFAARN C[C@H]1CCc2sc3ncnc(NCCN4CCOCC4)c3c2C1 ZINC000019682051 212054130 /nfs/dbraw/zinc/05/41/30/212054130.db2.gz OVNODESDYGDNIQ-LBPRGKRZSA-N 0 0 332.473 2.560 50 0 EFAARN O=C(NCCCN1CCOCC1)Nc1cccc(C(F)(F)F)c1 ZINC000019681794 212054177 /nfs/dbraw/zinc/05/41/77/212054177.db2.gz NZFZWYWUXYAQDR-UHFFFAOYSA-N 0 0 331.338 2.549 50 0 EFAARN CCOC(=O)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000019634220 212052477 /nfs/dbraw/zinc/05/24/77/212052477.db2.gz VYBZKVJHORKSTM-UHFFFAOYSA-N 0 0 327.222 2.723 50 0 EFAARN CCOc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F ZINC000019619291 212051088 /nfs/dbraw/zinc/05/10/88/212051088.db2.gz NPCSOVKQWRZWMH-UHFFFAOYSA-N 0 0 348.399 2.676 50 0 EFAARN COc1ccc(-c2nc(CN(C)[C@@H]3CCOC3)c(C)o2)c(OC)c1 ZINC000019595216 212050433 /nfs/dbraw/zinc/05/04/33/212050433.db2.gz ANIHLRDMSALESP-CYBMUJFWSA-N 0 0 332.400 2.888 50 0 EFAARN Cc1ncc(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)c(C)n1 ZINC000019595181 212050007 /nfs/dbraw/zinc/05/00/07/212050007.db2.gz KCMQSWQIGWWJTF-SFHVURJKSA-N 0 0 335.411 2.851 50 0 EFAARN COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccs1 ZINC000085412988 284198289 /nfs/dbraw/zinc/19/82/89/284198289.db2.gz XBELOGUZTDNLIW-IUODEOHRSA-N 0 0 328.345 2.920 50 0 EFAARN Brc1ccc(CN2CCN(c3ncccn3)CC2)cc1 ZINC000019537345 212040833 /nfs/dbraw/zinc/04/08/33/212040833.db2.gz GUSXYWVMIBACMK-UHFFFAOYSA-N 0 0 333.233 2.561 50 0 EFAARN CN(C)C(=O)N1CCC[C@H](C(=O)NCCCSc2ccccc2)C1 ZINC000047991645 213880273 /nfs/dbraw/zinc/88/02/73/213880273.db2.gz WBSWDLBUQRSVIJ-HNNXBMFYSA-N 0 0 349.500 2.679 50 0 EFAARN C[C@H](O)c1cn(CC2CCN(C(=O)CC3CCCCCC3)CC2)nn1 ZINC000048501583 213943453 /nfs/dbraw/zinc/94/34/53/213943453.db2.gz WBNMMENFOAZYCV-HNNXBMFYSA-N 0 0 348.491 2.931 50 0 EFAARN COc1cccc([C@H](O)CN2CCN(c3ccccc3F)CC2)c1 ZINC000049420878 214007143 /nfs/dbraw/zinc/00/71/43/214007143.db2.gz AXLTZXBVULPBIT-LJQANCHMSA-N 0 0 330.403 2.690 50 0 EFAARN COc1cccc(NC(=O)NC[C@H]2COC3(CCCC3)O2)c1OC ZINC000049504418 214012841 /nfs/dbraw/zinc/01/28/41/214012841.db2.gz BMHWCKOBXHOYOK-LBPRGKRZSA-N 0 0 336.388 2.511 50 0 EFAARN O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(-c2ccco2)on1 ZINC000049504137 214012933 /nfs/dbraw/zinc/01/29/33/214012933.db2.gz FYUNTUQYLXPGKH-GFCCVEGCSA-N 0 0 332.356 2.740 50 0 EFAARN O=C(c1cc(C2CC2)on1)N1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484360 214013218 /nfs/dbraw/zinc/01/32/18/214013218.db2.gz LBUNWURFEPLTJH-UHFFFAOYSA-N 0 0 342.380 2.903 50 0 EFAARN COc1cccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000049543560 214015316 /nfs/dbraw/zinc/01/53/16/214015316.db2.gz BROMIALSLSGBIE-UHFFFAOYSA-N 0 0 349.390 2.700 50 0 biogenic EFAARN CCc1ccc(CN(C)c2ccc(-c3nc(COC)no3)cn2)nc1 ZINC000019114095 212001003 /nfs/dbraw/zinc/00/10/03/212001003.db2.gz HTYGGKUJJGRTNB-UHFFFAOYSA-N 0 0 339.399 2.872 50 0 EFAARN COc1ccc([C@H](O)[C@H](CN2CCOCC2)c2ccccc2)cc1F ZINC000019229398 212007781 /nfs/dbraw/zinc/00/77/81/212007781.db2.gz RDWKKDSOTUKQKO-XLIONFOSSA-N 0 0 345.414 2.984 50 0 EFAARN COC(=O)CCCC(=O)NCc1cccnc1N1CCCCCCC1 ZINC000019146967 212002134 /nfs/dbraw/zinc/00/21/34/212002134.db2.gz ZWGXVVQJQVQTBA-UHFFFAOYSA-N 0 0 347.459 2.812 50 0 EFAARN c1c[nH]c(CN2CCC[C@@H](Cn3cc(C4CCCCC4)nn3)C2)n1 ZINC000019145463 212002231 /nfs/dbraw/zinc/00/22/31/212002231.db2.gz CELDYGKDIZDARN-OAHLLOKOSA-N 0 0 328.464 2.961 50 0 EFAARN O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(F)cc1F ZINC000018149058 211984462 /nfs/dbraw/zinc/98/44/62/211984462.db2.gz DQNJONYEEOWXAL-STQMWFEESA-N 0 0 348.349 2.635 50 0 EFAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1F ZINC000078582193 217080330 /nfs/dbraw/zinc/08/03/30/217080330.db2.gz GZKBLCHVMPAFAC-UHFFFAOYSA-N 0 0 341.342 2.913 50 0 EFAARN Cc1ccccc1C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 ZINC000018033974 211978006 /nfs/dbraw/zinc/97/80/06/211978006.db2.gz JIGQQFHWZNUXHB-OAHLLOKOSA-N 0 0 347.378 2.770 50 0 EFAARN C[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1nnc2ccccn21 ZINC000078602261 217083753 /nfs/dbraw/zinc/08/37/53/217083753.db2.gz LZLSGMPJDFQORX-SNVBAGLBSA-N 0 0 338.396 2.672 50 0 EFAARN COC(=O)c1sc(NC(=S)NC(C)(C)C)c(C(=O)OC)c1C ZINC000017071899 211953585 /nfs/dbraw/zinc/95/35/85/211953585.db2.gz KDZIRVNABKXZCV-UHFFFAOYSA-N 0 0 344.458 2.715 50 0 EFAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)NC2CC2)cs1 ZINC000016973764 211944238 /nfs/dbraw/zinc/94/42/38/211944238.db2.gz XERAWJGRKWINDA-UHFFFAOYSA-N 0 0 346.412 2.617 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c(OC)c1 ZINC000017071485 211952017 /nfs/dbraw/zinc/95/20/17/211952017.db2.gz JTLPKVFOVOFDPA-UHFFFAOYSA-N 0 0 341.816 2.836 50 0 EFAARN CCn1nc(NC(=O)CCC(=O)OC)c2cc3cccc(C)c3nc21 ZINC000016956819 211943401 /nfs/dbraw/zinc/94/34/01/211943401.db2.gz VYEWZWDYMUGVOU-UHFFFAOYSA-N 0 0 340.383 2.805 50 0 EFAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1CCCC1 ZINC000017056891 211947759 /nfs/dbraw/zinc/94/77/59/211947759.db2.gz HXLSEIFPYKSYJN-UHFFFAOYSA-N 0 0 349.481 2.578 50 0 EFAARN CC(C)c1ccc(-n2nnc(C(=O)NCc3ccccc3)c2N)cc1 ZINC000016648891 211925632 /nfs/dbraw/zinc/92/56/32/211925632.db2.gz XEJZBZMNJJDUEP-UHFFFAOYSA-N 0 0 335.411 2.903 50 0 EFAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cccs1 ZINC000206232353 284321009 /nfs/dbraw/zinc/32/10/09/284321009.db2.gz RWYCMBNYVPKVBX-CYBMUJFWSA-N 0 0 341.392 2.557 50 0 EFAARN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)[C@@H]1CCCO1 ZINC000016607074 211919353 /nfs/dbraw/zinc/91/93/53/211919353.db2.gz KACVDKSHNMKDPJ-INIZCTEOSA-N 0 0 336.347 2.973 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000016604742 211918978 /nfs/dbraw/zinc/91/89/78/211918978.db2.gz UIPIKWDKJDNAAM-UHFFFAOYSA-N 0 0 332.406 2.801 50 0 EFAARN COc1ccc2c(ccn2CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000079189299 217199912 /nfs/dbraw/zinc/19/99/12/217199912.db2.gz BOUVCCVVUXMFJW-JXFKEZNVSA-N 0 0 342.439 2.804 50 0 biogenic EFAARN Cn1c(=O)cc(C(=O)NCCn2ccc3ccccc32)c2ccccc21 ZINC000079188804 217200007 /nfs/dbraw/zinc/20/00/07/217200007.db2.gz BCCANEZLHBTRKA-UHFFFAOYSA-N 0 0 345.402 2.923 50 0 biogenic EFAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccco1 ZINC000079188445 217200765 /nfs/dbraw/zinc/20/07/65/217200765.db2.gz BNBVBVOHMOHNFC-CJNGLKHVSA-N 0 0 326.304 2.842 50 0 biogenic EFAARN CCOc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)ncn1 ZINC000079438697 217225198 /nfs/dbraw/zinc/22/51/98/217225198.db2.gz IDXIKIMRSOTNGM-ZDUSSCGKSA-N 0 0 336.436 2.711 50 0 EFAARN CC(C)c1cc(-c2nnc3sc(-c4ccncc4)nn32)n(C)n1 ZINC000079479184 217230459 /nfs/dbraw/zinc/23/04/59/217230459.db2.gz KDULGMLVMKTQIQ-UHFFFAOYSA-N 0 0 325.401 2.772 50 0 EFAARN Cn1cc(CCCC(=O)NCc2nnc3ccccn32)c2ccccc21 ZINC000079480180 217230593 /nfs/dbraw/zinc/23/05/93/217230593.db2.gz GEMRZCBBKDJZPH-UHFFFAOYSA-N 0 0 347.422 2.860 50 0 EFAARN COc1cc(CCC(=O)Nc2nc(-c3ccncc3)cs2)on1 ZINC000079480176 217230835 /nfs/dbraw/zinc/23/08/35/217230835.db2.gz DYGLPJRRZSPAAH-UHFFFAOYSA-N 0 0 330.369 2.773 50 0 EFAARN Cn1cc(CC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 ZINC000079477487 217230871 /nfs/dbraw/zinc/23/08/71/217230871.db2.gz JZPNOLHMXDVZCY-UHFFFAOYSA-N 0 0 346.394 2.550 50 0 EFAARN COc1ccc(-c2nn3c(nnc3-c3c(Cl)cnn3C)s2)cc1 ZINC000079488606 217232456 /nfs/dbraw/zinc/23/24/56/217232456.db2.gz ZMXUSXZZGCNLJB-UHFFFAOYSA-N 0 0 346.803 2.915 50 0 EFAARN COCCn1cc(CCC(=O)Nc2cc(C)n(C)n2)c2ccccc21 ZINC000079489929 217232530 /nfs/dbraw/zinc/23/25/30/217232530.db2.gz YNALHPZUUVUSGF-UHFFFAOYSA-N 0 0 340.427 2.901 50 0 EFAARN COC(=O)CC1CCN(C(=O)c2cc3cc(F)ccc3n2C)CC1 ZINC000079488651 217232764 /nfs/dbraw/zinc/23/27/64/217232764.db2.gz YRXVUZVQMIYXDO-UHFFFAOYSA-N 0 0 332.375 2.733 50 0 EFAARN O=C(Cn1ccc2c1cccc2Cl)NCc1nnc2ccccn21 ZINC000079486679 217232788 /nfs/dbraw/zinc/23/27/88/217232788.db2.gz XPMQMSBJOBBGQG-UHFFFAOYSA-N 0 0 339.786 2.654 50 0 EFAARN CC(=O)N1CCN(C(=O)CCc2cn(C(C)C)c3ccccc23)CC1 ZINC000079488675 217232852 /nfs/dbraw/zinc/23/28/52/217232852.db2.gz WGGVQBDEUOAFMX-UHFFFAOYSA-N 0 0 341.455 2.846 50 0 EFAARN COc1ccc2cc(NC(=O)CCCNc3ncccn3)cnc2c1 ZINC000079487699 217233112 /nfs/dbraw/zinc/23/31/12/217233112.db2.gz MYYRGXLRGOEDAN-UHFFFAOYSA-N 0 0 337.383 2.864 50 0 EFAARN CC1(C)C[C@@H](NC(=O)CCc2nc(-c3ccccc3)no2)CCO1 ZINC000079493676 217234228 /nfs/dbraw/zinc/23/42/28/217234228.db2.gz TZFNHLCTGAMTBN-AWEZNQCLSA-N 0 0 329.400 2.743 50 0 EFAARN COCCn1cc(CCC(=O)NCc2cccnc2)c2ccccc21 ZINC000079498154 217235522 /nfs/dbraw/zinc/23/55/22/217235522.db2.gz GAQKGISOELYZIT-UHFFFAOYSA-N 0 0 337.423 2.932 50 0 EFAARN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)cc1 ZINC000080345102 217298939 /nfs/dbraw/zinc/29/89/39/217298939.db2.gz XRFYVUXHIQUTNY-CYBMUJFWSA-N 0 0 338.429 2.944 50 0 EFAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000015317479 211814275 /nfs/dbraw/zinc/81/42/75/211814275.db2.gz WIEWTCYEXRHMNO-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN Cc1cc(C)nc(SCC(=O)NCc2nc3cc(F)ccc3[nH]2)n1 ZINC000080872816 217336266 /nfs/dbraw/zinc/33/62/66/217336266.db2.gz PTNVAINHPJJWKQ-UHFFFAOYSA-N 0 0 345.403 2.517 50 0 EFAARN CCC(=O)NCc1nnc(SCc2ccncc2)n1CC(C)C ZINC000014992589 211785477 /nfs/dbraw/zinc/78/54/77/211785477.db2.gz KKCNEQIKZWPILT-UHFFFAOYSA-N 0 0 333.461 2.648 50 0 EFAARN Cc1occc1C(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000014964673 211777632 /nfs/dbraw/zinc/77/76/32/211777632.db2.gz KEIFFVCFJUVKSJ-MRXNPFEDSA-N 0 0 326.396 2.552 50 0 EFAARN CC[C@@]1(CCC(=O)NCc2cc(-c3ccccc3)on2)CCC(=O)N1 ZINC000014953230 211777310 /nfs/dbraw/zinc/77/73/10/211777310.db2.gz ZWXGZIWDKRURGB-LJQANCHMSA-N 0 0 341.411 2.797 50 0 EFAARN Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000014495332 211741290 /nfs/dbraw/zinc/74/12/90/211741290.db2.gz CNDFCAWZTVBEQG-CHWSQXEVSA-N 0 0 346.814 2.928 50 0 EFAARN Cc1nc(-c2cccnc2)ncc1C(=O)N1Cc2ccccc2[C@H](O)C1 ZINC000082108163 217467196 /nfs/dbraw/zinc/46/71/96/217467196.db2.gz ATHXYDVDUNIIEU-GOSISDBHSA-N 0 0 346.390 2.536 50 0 EFAARN O=C(c1scc2c1OCCO2)N1CCC(CCn2cccn2)CC1 ZINC000082099326 217466806 /nfs/dbraw/zinc/46/68/06/217466806.db2.gz 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/nfs/dbraw/zinc/48/25/46/217482546.db2.gz CSQSUTXPEGJKGA-INIZCTEOSA-N 0 0 329.400 2.844 50 0 EFAARN COc1cccc(OC2CN(C(=O)CCc3ccccc3OC)C2)c1 ZINC000085533023 217674891 /nfs/dbraw/zinc/67/48/91/217674891.db2.gz CKHKOIJFTSSINZ-UHFFFAOYSA-N 0 0 341.407 2.926 50 0 EFAARN CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c21 ZINC000013676140 211604899 /nfs/dbraw/zinc/60/48/99/211604899.db2.gz GYWGXEGOXODOQU-UHFFFAOYSA-N 0 0 343.456 2.584 50 0 investigational EFAARN COCCNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000013624437 211593031 /nfs/dbraw/zinc/59/30/31/211593031.db2.gz FPHPCBKCLPOIMK-UHFFFAOYSA-N 0 0 336.413 2.512 50 0 EFAARN Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000013533796 211573214 /nfs/dbraw/zinc/57/32/14/211573214.db2.gz CJDFPKNZLUIFIO-LLVKDONJSA-N 0 0 327.837 2.520 50 0 EFAARN CC(C)NC(=O)c1cc(NC(=O)NCCc2c[nH]cn2)ccc1Cl ZINC000426387601 247272974 /nfs/dbraw/zinc/27/29/74/247272974.db2.gz FJBOLLYRMDIULU-UHFFFAOYSA-N 0 0 349.822 2.566 50 0 EFAARN Cc1nnc(CCNC(=O)c2cc3cccc(C)c3nc2C)s1 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/nfs/dbraw/zinc/34/76/60/211347660.db2.gz YFVWCFNTTAYTFJ-GOSISDBHSA-N 0 0 334.379 2.663 50 0 EFAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000012322902 211347342 /nfs/dbraw/zinc/34/73/42/211347342.db2.gz UGVWVLDDENPESW-UHFFFAOYSA-N 0 0 329.400 2.861 50 0 EFAARN O=C(COc1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012323492 211346959 /nfs/dbraw/zinc/34/69/59/211346959.db2.gz YALNYRYAGDIKJD-OAHLLOKOSA-N 0 0 336.395 2.514 50 0 EFAARN COc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1cccs1)CC3 ZINC000012322543 211346642 /nfs/dbraw/zinc/34/66/42/211346642.db2.gz DCTPYKICQYMXQA-UHFFFAOYSA-N 0 0 348.449 2.985 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)c1cc(F)ccc1-n1cnnn1 ZINC000012321149 211346350 /nfs/dbraw/zinc/34/63/50/211346350.db2.gz JXKXWYHMHDMSHC-UHFFFAOYSA-N 0 0 347.737 2.716 50 0 EFAARN O=C(Cc1ccncc1)N1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000012320517 211346245 /nfs/dbraw/zinc/34/62/45/211346245.db2.gz FPBPJYQQIIWADG-MRXNPFEDSA-N 0 0 330.815 2.748 50 0 EFAARN CC(=O)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000012321600 211346272 /nfs/dbraw/zinc/34/62/72/211346272.db2.gz AJUBZSJJINSHNO-UHFFFAOYSA-N 0 0 334.375 2.797 50 0 EFAARN O=C(Nc1ccccc1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000012315733 211345060 /nfs/dbraw/zinc/34/50/60/211345060.db2.gz UFLYFVQXDZDGNQ-INIZCTEOSA-N 0 0 327.359 2.748 50 0 EFAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1Cc1cccnc1 ZINC000012308267 211341495 /nfs/dbraw/zinc/34/14/95/211341495.db2.gz LTDXMMHCKOZATG-LJQANCHMSA-N 0 0 347.422 2.870 50 0 EFAARN O=C(NCCc1cccnc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012308550 211341157 /nfs/dbraw/zinc/34/11/57/211341157.db2.gz ISNCCGSVEAJOCP-GOSISDBHSA-N 0 0 343.471 2.559 50 0 EFAARN COC(=O)CCC(=O)N1CCC[C@@H](CCc2cccc(OC)c2)C1 ZINC000012373790 211358685 /nfs/dbraw/zinc/35/86/85/211358685.db2.gz CGLDZYVAVOFLGC-INIZCTEOSA-N 0 0 333.428 2.820 50 0 EFAARN O=C(NCCNC(=O)c1ccc2cc[nH]c2c1)c1c[nH]c2ccccc12 ZINC000012296494 211335409 /nfs/dbraw/zinc/33/54/09/211335409.db2.gz FNANBEFNZVTAID-UHFFFAOYSA-N 0 0 346.390 2.809 50 0 biogenic EFAARN O=S(=O)(c1cccs1)N1CCO[C@H](Cc2cccc(F)c2)C1 ZINC000012297141 211335200 /nfs/dbraw/zinc/33/52/00/211335200.db2.gz ODHYCOMIMMSADG-CQSZACIVSA-N 0 0 341.429 2.519 50 0 EFAARN COCc1c(C(=O)NCc2ccccc2)nnn1-c1ccc(C)cc1 ZINC000012274343 211331739 /nfs/dbraw/zinc/33/17/39/211331739.db2.gz BOODARBOVAETQO-UHFFFAOYSA-N 0 0 336.395 2.652 50 0 EFAARN Cc1ccccc1-n1nnnc1SCCC(=O)NC1CCCCC1 ZINC000012274100 211331234 /nfs/dbraw/zinc/33/12/34/211331234.db2.gz PQFARYLYEDTLLA-UHFFFAOYSA-N 0 0 345.472 2.902 50 0 EFAARN CCOC(=O)c1cc2c(C)n(C)c(C)c2cc(C(=O)OCC)c1=O ZINC000012249915 211330474 /nfs/dbraw/zinc/33/04/74/211330474.db2.gz KLUOBXIQWWWMSA-UHFFFAOYSA-N 0 0 331.368 2.509 50 0 EFAARN COc1cccc2cc(C(=O)Nc3nnc(-c4ccno4)o3)oc21 ZINC000012234641 211326538 /nfs/dbraw/zinc/32/65/38/211326538.db2.gz LTCRZUNSUKRNLW-UHFFFAOYSA-N 0 0 326.268 2.732 50 0 EFAARN O=C(C(=O)N1CCO[C@@H](CCCc2ccccc2)C1)c1ccco1 ZINC000012303129 211340417 /nfs/dbraw/zinc/34/04/17/211340417.db2.gz GEAJUOGGCBNEQW-INIZCTEOSA-N 0 0 327.380 2.713 50 0 EFAARN COc1ccc(C(=O)NCc2cccnc2-n2cnc3ccccc32)o1 ZINC000012306128 211339504 /nfs/dbraw/zinc/33/95/04/211339504.db2.gz WCCJOAHXVMIJGU-UHFFFAOYSA-N 0 0 348.362 2.952 50 0 EFAARN CCn1ccnc1CN(C)Cc1nc(Cc2ccccc2F)no1 ZINC000012302685 211338920 /nfs/dbraw/zinc/33/89/20/211338920.db2.gz LEIPRXYPUALJDC-UHFFFAOYSA-N 0 0 329.379 2.648 50 0 EFAARN C[C@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000090607490 217944198 /nfs/dbraw/zinc/94/41/98/217944198.db2.gz LXUAABFKCKIWMG-HNNXBMFYSA-N 0 0 326.396 2.919 50 0 EFAARN Cc1ccc2nc(C)c(NC(=O)c3ccc(F)c(F)c3)c(=O)n2c1 ZINC000012180736 211310277 /nfs/dbraw/zinc/31/02/77/211310277.db2.gz UVBZTAZPZIJQSK-UHFFFAOYSA-N 0 0 329.306 2.842 50 0 EFAARN CSc1ncccc1C(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000012206143 211321251 /nfs/dbraw/zinc/32/12/51/211321251.db2.gz RQNAOTFFOZVMLN-ZDUSSCGKSA-N 0 0 347.484 2.857 50 0 EFAARN COCCCNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000012138435 211303183 /nfs/dbraw/zinc/30/31/83/211303183.db2.gz BQWBCHAGXPEUGS-UHFFFAOYSA-N 0 0 326.396 2.634 50 0 EFAARN CC(C)c1nnc2n1CCN(Cc1cccn1-c1ccccn1)CC2 ZINC000012130636 211301076 /nfs/dbraw/zinc/30/10/76/211301076.db2.gz BHXXJYJPKCDCGH-UHFFFAOYSA-N 0 0 336.443 2.646 50 0 EFAARN COc1ccc(CC(=O)NCCc2nc3cc(F)ccc3[nH]2)cc1 ZINC000012128742 211300031 /nfs/dbraw/zinc/30/00/31/211300031.db2.gz BZLFVTIGJAMDHO-UHFFFAOYSA-N 0 0 327.359 2.612 50 0 EFAARN O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1cccc(F)c1 ZINC000012099414 211291465 /nfs/dbraw/zinc/29/14/65/211291465.db2.gz CEBUKVKKLUEGAT-LJQANCHMSA-N 0 0 344.386 2.707 50 0 EFAARN O=C(Cc1ccsc1)N1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012100336 211291470 /nfs/dbraw/zinc/29/14/70/211291470.db2.gz QREWAOAZWDRQIJ-UHFFFAOYSA-N 0 0 346.427 2.691 50 0 EFAARN O=C(NCC(F)(F)F)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012093720 211289582 /nfs/dbraw/zinc/28/95/82/211289582.db2.gz QMBKRFCWMHCPEJ-AWEZNQCLSA-N 0 0 342.361 2.536 50 0 EFAARN COC(=O)CCCNC(=O)c1cc(COc2cc(C)ccc2C)on1 ZINC000012072470 211286438 /nfs/dbraw/zinc/28/64/38/211286438.db2.gz DRJMUGFPJRJRRA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/28/01/92/211280192.db2.gz APYWOQNXRMHPCA-UHFFFAOYSA-N 0 0 331.397 2.611 50 0 EFAARN COCCC[C@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000091494053 218014593 /nfs/dbraw/zinc/01/45/93/218014593.db2.gz SPZYWZARGBVVCL-CQSZACIVSA-N 0 0 328.416 2.751 50 0 EFAARN CNc1ncc(CN(C)C(=O)c2ccc([C@H]3CCCO3)s2)cn1 ZINC000091350755 217995742 /nfs/dbraw/zinc/99/57/42/217995742.db2.gz KAWJKMXXEKFVID-GFCCVEGCSA-N 0 0 332.429 2.704 50 0 EFAARN C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000012001920 211277857 /nfs/dbraw/zinc/27/78/57/211277857.db2.gz SGIIEFIBLXLGLY-CQSZACIVSA-N 0 0 344.436 2.853 50 0 EFAARN Cc1ccc2[nH]c(CN[C@@H](C)c3cn4ncsc4n3)cc(=O)c2c1 ZINC000091351014 217997029 /nfs/dbraw/zinc/99/70/29/217997029.db2.gz UBESYOPDZIXDEI-NSHDSACASA-N 0 0 339.424 2.792 50 0 EFAARN O=c1[nH]c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1CCCC2 ZINC000011991443 211276391 /nfs/dbraw/zinc/27/63/91/211276391.db2.gz NSDFISZFWPZIJX-UHFFFAOYSA-N 0 0 344.846 2.629 50 0 EFAARN Cc1nnc(=O)[nH]c1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000011990584 211276265 /nfs/dbraw/zinc/27/62/65/211276265.db2.gz ZYAVPHJMTMGYBE-UHFFFAOYSA-N 0 0 345.211 2.923 50 0 EFAARN COC[C@]1(O)CCN(C(=O)Nc2ccc(F)c(F)c2)CC1(C)C ZINC000091410329 218001489 /nfs/dbraw/zinc/00/14/89/218001489.db2.gz VXTLTJCQTRBZQA-MRXNPFEDSA-N 0 0 328.359 2.606 50 0 EFAARN CCNc1ncc(C(=O)N2CCC(OC)(c3ccccc3)CC2)cn1 ZINC000091411715 218002580 /nfs/dbraw/zinc/00/25/80/218002580.db2.gz YWLWVTWHYKSGAI-UHFFFAOYSA-N 0 0 340.427 2.686 50 0 EFAARN C[C@@H]1CN(C(=O)NCC2CCCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000091424808 218003093 /nfs/dbraw/zinc/00/30/93/218003093.db2.gz QDRUDZHLRKGDPL-BEFAXECRSA-N 0 0 338.492 2.776 50 0 EFAARN Cc1ccc(CNC(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)o1 ZINC000011935476 211271513 /nfs/dbraw/zinc/27/15/13/211271513.db2.gz RISNXRIJZOHFES-UHFFFAOYSA-N 0 0 335.367 2.639 50 0 EFAARN Cc1cc(C)n(CCCN(C)C(=O)[C@H]2COc3ccccc3C2)n1 ZINC000091440135 218006283 /nfs/dbraw/zinc/00/62/83/218006283.db2.gz GVOCWQONJJDRJZ-QGZVFWFLSA-N 0 0 327.428 2.600 50 0 EFAARN O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000011933138 211269243 /nfs/dbraw/zinc/26/92/43/211269243.db2.gz FZBWVPQYDRLAKV-AWEZNQCLSA-N 0 0 348.418 2.502 50 0 EFAARN COCCN(Cc1cnn(C)c1)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000091461622 218009745 /nfs/dbraw/zinc/00/97/45/218009745.db2.gz YVQWNWYYKIOHAL-ZDUSSCGKSA-N 0 0 347.484 2.895 50 0 EFAARN C[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cn2ncsc2n1 ZINC000091461656 218009986 /nfs/dbraw/zinc/00/99/86/218009986.db2.gz VQCAFXVLSZDOIB-SECBINFHSA-N 0 0 343.387 2.622 50 0 EFAARN CCCN(C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000091459605 218010247 /nfs/dbraw/zinc/01/02/47/218010247.db2.gz JYHLWHHWPWCQIH-UHFFFAOYSA-N 0 0 329.444 2.720 50 0 EFAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1snnc1C ZINC000011914117 211267580 /nfs/dbraw/zinc/26/75/80/211267580.db2.gz WVBMFVONRNDLOW-UHFFFAOYSA-N 0 0 325.415 2.954 50 0 EFAARN CC[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)n1cccn1 ZINC000091462648 218010935 /nfs/dbraw/zinc/01/09/35/218010935.db2.gz 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COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1O ZINC000000187775 286379950 /nfs/dbraw/zinc/37/99/50/286379950.db2.gz JRZJFINUEMXOPS-RHSMWYFYSA-N 0 0 338.363 2.570 50 0 biogenic EFAARN COc1cccc2c1OCCCN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000215461130 286481843 /nfs/dbraw/zinc/48/18/43/286481843.db2.gz XLUDKAHWZFJMAW-GOSISDBHSA-N 0 0 339.391 2.810 50 0 EFAARN COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018255839 292347992 /nfs/dbraw/zinc/34/79/92/292347992.db2.gz PMJGZIRWEARIMC-KHSMEXAKSA-N 0 0 347.414 2.915 50 0 EFAARN Cc1ccc2nc(NC(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)sc2c1 ZINC000008473858 292392488 /nfs/dbraw/zinc/39/24/88/292392488.db2.gz ORWAIBLRBPYKIS-JPVDKZRHSA-N 0 0 328.393 2.741 50 0 EFAARN COCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002454561 292520820 /nfs/dbraw/zinc/52/08/20/292520820.db2.gz GAGNNYWHKIBVEU-BTRQGYIVSA-N 0 0 333.387 2.525 50 0 EFAARN Cc1ccc(C2=NOC3(CCN(C(=O)c4ccoc4)CC3)N2)cc1 ZINC000169754962 226561417 /nfs/dbraw/zinc/56/14/17/226561417.db2.gz VAZGFEVUWLUEAK-UHFFFAOYSA-N 0 0 325.368 2.502 50 0 EFAARN CC[C@H](C(=O)N1CCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711877 287457048 /nfs/dbraw/zinc/45/70/48/287457048.db2.gz UYXJBCGUDMGQNP-CQSZACIVSA-N 0 0 344.864 2.507 50 0 EFAARN CCOc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C ZINC000000816465 544420250 /nfs/dbraw/zinc/42/02/50/544420250.db2.gz JXQNCOPBCLMXMO-UHFFFAOYSA-N 0 0 334.441 2.884 50 0 EFAARN CC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1cccs1 ZINC000048673950 544447932 /nfs/dbraw/zinc/44/79/32/544447932.db2.gz TVSMLAZFJINCAP-SECBINFHSA-N 0 0 333.866 2.873 50 0 EFAARN Cc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc1F ZINC000067240066 544458271 /nfs/dbraw/zinc/45/82/71/544458271.db2.gz DVCGXGPGVOHHKV-UHFFFAOYSA-N 0 0 325.347 2.608 50 0 EFAARN COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000085474410 262501703 /nfs/dbraw/zinc/50/17/03/262501703.db2.gz YOPJTBSZJZPEAV-UHFFFAOYSA-N 0 0 327.377 2.564 50 0 EFAARN Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000281609460 273451926 /nfs/dbraw/zinc/45/19/26/273451926.db2.gz SLGFZUIOIHLIFX-CQSZACIVSA-N 0 0 341.383 2.614 50 0 EFAARN CCCCn1ccnc1C1CCN(c2ncccc2C(N)=O)CC1 ZINC000091893689 273606637 /nfs/dbraw/zinc/60/66/37/273606637.db2.gz CZMGWHRKYBJBQO-UHFFFAOYSA-N 0 0 327.432 2.561 50 0 EFAARN CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000284007008 273785666 /nfs/dbraw/zinc/78/56/66/273785666.db2.gz PRMMOWCDECJOTQ-KGLIPLIRSA-N 0 0 327.446 2.831 50 0 EFAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000616977 273805199 /nfs/dbraw/zinc/80/51/99/273805199.db2.gz XXFLGWVLMQTFPL-INIZCTEOSA-N 0 0 338.860 2.921 50 0 EFAARN COc1ccc(-n2c3nncn3c3sc4c(c3c2=O)CCC4)cc1 ZINC000000503540 274104942 /nfs/dbraw/zinc/10/49/42/274104942.db2.gz UVTYVVWMMJZRFN-UHFFFAOYSA-N 0 0 338.392 2.592 50 0 EFAARN Cc1nc2c(c(N(C)C[C@@H]3CCOC3)n1)Cc1ccccc1OC2 ZINC000095522506 274846743 /nfs/dbraw/zinc/84/67/43/274846743.db2.gz BQXKRCCIHZFGPI-AWEZNQCLSA-N 0 0 325.412 2.741 50 0 EFAARN Cc1nccn1-c1ccccc1-c1nc2c([nH]1)C(=O)NCC(C)(C)C2 ZINC000095384976 274859707 /nfs/dbraw/zinc/85/97/07/274859707.db2.gz FDTQLXDVEBWGLC-UHFFFAOYSA-N 0 0 335.411 2.883 50 0 EFAARN c1ccc2nc(-c3nn4c(nnc4-c4cnccn4)s3)ccc2c1 ZINC000013728825 275071923 /nfs/dbraw/zinc/07/19/23/275071923.db2.gz PTFKFNUNOXRPAM-UHFFFAOYSA-N 0 0 331.364 2.858 50 0 EFAARN CC(C)c1cc(C(=O)N2CCCN3C(=O)c4ccccc4[C@@H]32)on1 ZINC000097117627 275725931 /nfs/dbraw/zinc/72/59/31/275725931.db2.gz SOQNMIVFGPXMSX-INIZCTEOSA-N 0 0 325.368 2.799 50 0 EFAARN CC1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccccc1)c1nnnn12 ZINC000000493925 275873557 /nfs/dbraw/zinc/87/35/57/275873557.db2.gz SVXZWEXLNSNKEI-UHFFFAOYSA-N 0 0 343.390 2.776 50 0 EFAARN CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccc2)C1 ZINC000017028803 276014176 /nfs/dbraw/zinc/01/41/76/276014176.db2.gz SJQXTZQXFXMIQD-UHFFFAOYSA-N 0 0 330.457 2.744 50 0 EFAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1 ZINC000014920218 276298992 /nfs/dbraw/zinc/29/89/92/276298992.db2.gz ZGRKVGLUUAHRTJ-VZAMPYOESA-N 0 0 325.364 2.565 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(F)cc1 ZINC000001207391 276426436 /nfs/dbraw/zinc/42/64/36/276426436.db2.gz HKVJUNYZHAHHLW-CQSZACIVSA-N 0 0 334.372 2.649 50 0 EFAARN CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(N)=O)C1 ZINC000013327301 276474674 /nfs/dbraw/zinc/47/46/74/276474674.db2.gz DPZRWTGOFFPCBE-SECBINFHSA-N 0 0 333.413 2.911 50 0 EFAARN CCc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000000199610 276686710 /nfs/dbraw/zinc/68/67/10/276686710.db2.gz PHIYFACNTWTEHT-FOWTUZBSSA-N 0 0 333.416 2.928 50 0 EFAARN CN(C)c1nc2c(s1)[C@H](c1cccc3cnccc31)CC(=O)NC2 ZINC000065372398 276895996 /nfs/dbraw/zinc/89/59/96/276895996.db2.gz QREMCWRSVDVJCE-AWEZNQCLSA-N 0 0 338.436 2.909 50 0 EFAARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 ZINC000002503524 277051093 /nfs/dbraw/zinc/05/10/93/277051093.db2.gz XBSXBYSDSSOZQJ-RISCZKNCSA-N 0 0 330.409 2.817 50 0 EFAARN CC(C)(C)C(=O)C[C@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000000115464 277128306 /nfs/dbraw/zinc/12/83/06/277128306.db2.gz AEUCNSFJDALKJR-CQSZACIVSA-N 0 0 326.190 2.594 50 0 EFAARN COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(C)=O ZINC000002544916 277147608 /nfs/dbraw/zinc/14/76/08/277147608.db2.gz SBWGJVPHWINFOZ-UHFFFAOYSA-N 0 0 325.320 2.868 50 0 EFAARN COC(=O)c1ccc(I)cc1Br ZINC000114054631 277159195 /nfs/dbraw/zinc/15/91/95/277159195.db2.gz AGPATUQJKLIKMY-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN CN1C[C@@]2(CCCN(c3nc(-c4ccccc4)no3)CC2)OC1=O ZINC000072147278 277201302 /nfs/dbraw/zinc/20/13/02/277201302.db2.gz OTEYGPQNYQELDS-KRWDZBQOSA-N 0 0 328.372 2.548 50 0 EFAARN CN1C[C@H](C(=O)N2CCc3c([nH]c4ccccc43)C2)Oc2ccccc21 ZINC000097745180 277201900 /nfs/dbraw/zinc/20/19/00/277201900.db2.gz BZRGXISFFPXLBU-HXUWFJFHSA-N 0 0 347.418 2.950 50 0 EFAARN CO[C@@H]1CCCOC12CCN(C(=O)CCc1scnc1C)CC2 ZINC000095369149 277285892 /nfs/dbraw/zinc/28/58/92/277285892.db2.gz WHDFEABWTJIXSH-OAHLLOKOSA-N 0 0 338.473 2.571 50 0 EFAARN CO[C@@H]1COCC[C@H]1Nc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000223170599 277302444 /nfs/dbraw/zinc/30/24/44/277302444.db2.gz AOVRSFJCWYLMAN-VXGBXAGGSA-N 0 0 331.338 2.590 50 0 EFAARN CO[C@H]1CCCOC12CCN(c1nccc(C(F)(F)F)n1)CC2 ZINC000095391839 277337695 /nfs/dbraw/zinc/33/76/95/277337695.db2.gz LTBVUOPCSABDSY-LBPRGKRZSA-N 0 0 331.338 2.660 50 0 EFAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)cc2)N1 ZINC000034792444 277371329 /nfs/dbraw/zinc/37/13/29/277371329.db2.gz YCCPHMBIMIJBPW-ROUUACIJSA-N 0 0 336.391 2.953 50 0 biogenic EFAARN COc1cc(OC)cc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)c1 ZINC000067434274 277387038 /nfs/dbraw/zinc/38/70/38/277387038.db2.gz AXQWBSZVROZSGR-CQSZACIVSA-N 0 0 327.384 2.711 50 0 EFAARN COc1cc2c(cc1OC)CN1C(=S)N(C3CCCC3)C(=O)[C@@H]1C2 ZINC000004761240 277394084 /nfs/dbraw/zinc/39/40/84/277394084.db2.gz ITTDFMSHNWACDX-AWEZNQCLSA-N 0 0 346.452 2.500 50 0 EFAARN COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c(Cl)c(C)nn21 ZINC000020617452 277418358 /nfs/dbraw/zinc/41/83/58/277418358.db2.gz LGDUQYBGYTZMAO-UHFFFAOYSA-N 0 0 345.742 2.873 50 0 EFAARN COc1nn(C)cc1C(=O)Nc1nc2c(s1)COc1ccccc1-2 ZINC000036709453 277490641 /nfs/dbraw/zinc/49/06/41/277490641.db2.gz GFTKSKLAQSWUIX-UHFFFAOYSA-N 0 0 342.380 2.697 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4nsnc4c32)cc1O ZINC000096231015 277927461 /nfs/dbraw/zinc/92/74/61/277927461.db2.gz IDAZLFAHYFZMFI-VIFPVBQESA-N 0 0 328.349 2.847 50 0 EFAARN COc1ccc2c(c1)OC(=O)CC21CC(=O)Oc2cc(OC)ccc21 ZINC000000082402 277970374 /nfs/dbraw/zinc/97/03/74/277970374.db2.gz RXHSDADWLZWBMY-UHFFFAOYSA-N 0 0 340.331 2.608 50 0 EFAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ccco2)nc2ncnn21 ZINC000216513860 278008225 /nfs/dbraw/zinc/00/82/25/278008225.db2.gz AJUGDWZUINVNMY-CYBMUJFWSA-N 0 0 325.372 2.818 50 0 EFAARN COc1ccccc1CN1c2ccccc2C2(OCCCO2)C1=O ZINC000004511526 278049817 /nfs/dbraw/zinc/04/98/17/278049817.db2.gz CARSYUDIQVLGCH-UHFFFAOYSA-N 0 0 325.364 2.832 50 0 EFAARN CSCCC(=O)N1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095378323 278127203 /nfs/dbraw/zinc/12/72/03/278127203.db2.gz WDLVVFOMYMXPEH-INIZCTEOSA-N 0 0 346.496 2.747 50 0 EFAARN CSc1nnc2n1c1ccsc1c(=O)n2Cc1cccs1 ZINC000045924536 278181456 /nfs/dbraw/zinc/18/14/56/278181456.db2.gz MAQNMYJSOXSDJP-UHFFFAOYSA-N 0 0 334.451 2.937 50 0 EFAARN CC(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000033819213 278181943 /nfs/dbraw/zinc/18/19/43/278181943.db2.gz GNKDBGIZYLUGAK-INIZCTEOSA-N 0 0 327.771 2.592 50 0 EFAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000254095516 278239332 /nfs/dbraw/zinc/23/93/32/278239332.db2.gz AYEXSTRNLGYBSQ-ZOILLALWSA-N 0 0 348.483 2.889 50 0 EFAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCCC1)C2=O ZINC000039570384 278302125 /nfs/dbraw/zinc/30/21/25/278302125.db2.gz GICXFBIHBOZKBO-UHFFFAOYSA-N 0 0 349.475 2.526 50 0 EFAARN CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000067800554 278382313 /nfs/dbraw/zinc/38/23/13/278382313.db2.gz GXSJKYVMHUVSNW-UHFFFAOYSA-N 0 0 334.416 2.874 50 0 EFAARN CC1=CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C=O)CC3)cc21 ZINC000226074795 278493787 /nfs/dbraw/zinc/49/37/87/278493787.db2.gz JBDIUUUUPHLWTB-UHFFFAOYSA-N 0 0 343.496 2.768 50 0 EFAARN CC1=CC[C@@H]2CN(S(=O)(=O)N3CCc4ccccc4C3)C[C@@H]2C1 ZINC000072120942 278503575 /nfs/dbraw/zinc/50/35/75/278503575.db2.gz PCMCJTVASPWKOL-MSOLQXFVSA-N 0 0 332.469 2.578 50 0 EFAARN C[C@@H]1CCc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c32)C1 ZINC000000938973 278619815 /nfs/dbraw/zinc/61/98/15/278619815.db2.gz UEOAZBCOMWERPU-SNVBAGLBSA-N 0 0 326.425 2.858 50 0 EFAARN CCCN1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2 ZINC000057531440 278802118 /nfs/dbraw/zinc/80/21/18/278802118.db2.gz KHKCXMMITZGEBX-CYBMUJFWSA-N 0 0 339.317 2.566 50 0 EFAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccn4)sc3nc12 ZINC000000426912 278969023 /nfs/dbraw/zinc/96/90/23/278969023.db2.gz NAMRUKNOBGSFNS-UHFFFAOYSA-N 0 0 336.376 2.865 50 0 EFAARN Cc1nc(NC(=O)c2cnc3sc4c(n3c2=O)CCC4)sc1C ZINC000061718779 279101463 /nfs/dbraw/zinc/10/14/63/279101463.db2.gz HXPCFWMMTMYHQT-UHFFFAOYSA-N 0 0 346.437 2.570 50 0 EFAARN Cc1nc2c(s1)CCC[C@H]2NC(=O)Cc1ccc2c(c1)OCO2 ZINC000219925098 279115567 /nfs/dbraw/zinc/11/55/67/279115567.db2.gz JHQCQDYYKDTZNV-GFCCVEGCSA-N 0 0 330.409 2.917 50 0 EFAARN Cc1nc2sc3c(c2c2nc(-c4cccnc4)nn21)CCN(C)C3 ZINC000020566713 279146765 /nfs/dbraw/zinc/14/67/65/279146765.db2.gz WMWPPGCUJKDXSM-UHFFFAOYSA-N 0 0 336.424 2.697 50 0 EFAARN CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O ZINC000238882250 279251721 /nfs/dbraw/zinc/25/17/21/279251721.db2.gz CWROMPSYTREGNL-RBSFLKMASA-N 0 0 328.393 2.615 50 0 EFAARN Cn1c2cc3c(cc2s/c1=N/C(=O)c1ccc(F)cc1)OCCO3 ZINC000011612388 279316971 /nfs/dbraw/zinc/31/69/71/279316971.db2.gz VTDCUMZUJYDJEJ-HTXNQAPBSA-N 0 0 344.367 2.891 50 0 EFAARN CCOC(=O)C1=C(C)N(C)C(=S)N(C(C)=O)[C@H]1c1ccccc1 ZINC000002145135 279530119 /nfs/dbraw/zinc/53/01/19/279530119.db2.gz OLVLGAXDYIKAHM-HNNXBMFYSA-N 0 0 332.425 2.644 50 0 EFAARN CCO[C@@]1(O)Oc2ccc3ccccc3c2[C@@H]2NC(=O)N(C)C(C)=C21 ZINC000002161293 279889506 /nfs/dbraw/zinc/88/95/06/279889506.db2.gz BYSBMFGSGXRFEG-PKOBYXMFSA-N 0 0 340.379 2.885 50 0 biogenic EFAARN O=C(N[C@H]1CCCc2ccccc21)N1CCC2(COC(=O)O2)CC1 ZINC000426501920 279962687 /nfs/dbraw/zinc/96/26/87/279962687.db2.gz SYDHRGGKXMPFPS-HNNXBMFYSA-N 0 0 330.384 2.775 50 0 EFAARN O=C(Nc1cc(F)c(F)c(F)c1)c1cc2c([nH]c1=O)CCCC2=O ZINC000071375995 280007865 /nfs/dbraw/zinc/00/78/65/280007865.db2.gz BDHKGCMFVXJFRC-UHFFFAOYSA-N 0 0 336.269 2.564 50 0 EFAARN CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000004029668 280104573 /nfs/dbraw/zinc/10/45/73/280104573.db2.gz JXVKMIMOPKYYME-WBMJQRKESA-N 0 0 339.439 2.797 50 0 biogenic EFAARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 ZINC000013389019 280175820 /nfs/dbraw/zinc/17/58/20/280175820.db2.gz FGLZXUUMILEIGI-BHTHQVBYSA-N 0 0 348.196 2.672 50 0 EFAARN O=C(c1ccc(O)cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000352095 280189046 /nfs/dbraw/zinc/18/90/46/280189046.db2.gz HOUUJZSFWDPLLD-SMDDNHRTSA-N 0 0 328.290 2.645 50 0 EFAARN O=C1C[C@H](c2ccc(Cl)nc2)c2c(n[nH]c2-c2cccnc2)N1 ZINC000065387654 280273607 /nfs/dbraw/zinc/27/36/07/280273607.db2.gz YQVOGGLSKBZPOH-LLVKDONJSA-N 0 0 325.759 2.994 50 0 EFAARN Cc1cc(-c2nc3c([nH]2)C(=O)NC[C@H](c2ccc(Cl)cc2)C3)n[nH]1 ZINC000067641167 280288295 /nfs/dbraw/zinc/28/82/95/280288295.db2.gz ZBTSCWOYOVGUBW-LLVKDONJSA-N 0 0 341.802 2.831 50 0 EFAARN O=C1O[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc21 ZINC000211112903 280312495 /nfs/dbraw/zinc/31/24/95/280312495.db2.gz GOQJWXLHBPZRKV-SFHVURJKSA-N 0 0 343.404 2.537 50 0 EFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCn2c3ccccc3nc2C1 ZINC000005983520 280340074 /nfs/dbraw/zinc/34/00/74/280340074.db2.gz HLFRCVHQKZWCLX-UHFFFAOYSA-N 0 0 347.827 2.894 50 0 EFAARN Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nn3cnnc3)c2c1 ZINC000001074032 280410699 /nfs/dbraw/zinc/41/06/99/280410699.db2.gz KOXFFLZPQZYTTJ-UHFFFAOYSA-N 0 0 344.378 2.889 50 0 EFAARN Cc1cc(C)cc(-n2nnc3c2ncn(Cc2ccccc2)c3=O)c1 ZINC000005057288 280413772 /nfs/dbraw/zinc/41/37/72/280413772.db2.gz RNQKLFFTUJTOAS-UHFFFAOYSA-N 0 0 331.379 2.642 50 0 EFAARN Cc1ccc(-c2nc3sc4c(c3c(=O)n2N)CC(C)(C)OC4)cc1 ZINC000000522049 280729265 /nfs/dbraw/zinc/72/92/65/280729265.db2.gz LORRFEOYRBXOOC-UHFFFAOYSA-N 0 0 341.436 2.999 50 0 EFAARN CC(C)n1ncc2c1NC(=O)C[C@@]21c2cc(F)ccc2N(C)C1=O ZINC000072405844 280793376 /nfs/dbraw/zinc/79/33/76/280793376.db2.gz QDLSZCYSSGZYOW-QGZVFWFLSA-N 0 0 328.347 2.857 50 0 EFAARN CC1(C)C[C@@H](N2CCN([C@H]3CCOC(C)(C)C3)C2=S)CCO1 ZINC000012296911 281301778 /nfs/dbraw/zinc/30/17/78/281301778.db2.gz BAUALJMLWACTKT-KBPBESRZSA-N 0 0 326.506 2.804 50 0 biogenic EFAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccn1 ZINC000008609997 281349149 /nfs/dbraw/zinc/34/91/49/281349149.db2.gz NSTJYGYOPXHMDA-KRWDZBQOSA-N 0 0 346.394 2.909 50 0 EFAARN CCc1cc(=O)n(CC(=O)NC2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000057508582 281374763 /nfs/dbraw/zinc/37/47/63/281374763.db2.gz DYTQPEZMRXTWGZ-UHFFFAOYSA-N 0 0 343.402 2.671 50 0 EFAARN CCc1cc(=O)n(CC(=O)N2CCCC[C@@H]2C)c(-c2ccccc2)n1 ZINC000057527172 281375066 /nfs/dbraw/zinc/37/50/66/281375066.db2.gz LIKZVANIOHZEDD-HNNXBMFYSA-N 0 0 339.439 2.874 50 0 EFAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CCC[C@@H]32)C(=O)O1 ZINC000004915459 281399054 /nfs/dbraw/zinc/39/90/54/281399054.db2.gz XTWQGUSOZFXNTJ-CYBMUJFWSA-N 0 0 335.787 2.687 50 0 EFAARN Cc1cccnc1CN1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000077302361 281410180 /nfs/dbraw/zinc/41/01/80/281410180.db2.gz SRZIBDDCOFDYBC-UHFFFAOYSA-N 0 0 335.411 2.762 50 0 EFAARN CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@H](c2ccc(O)cc2)NC(=O)N1 ZINC000000276386 281658318 /nfs/dbraw/zinc/65/83/18/281658318.db2.gz JLBPZSIGHSQLDT-ABAIWWIYSA-N 0 0 332.400 2.998 50 0 EFAARN Cc1csc(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)n1 ZINC000000426854 281735999 /nfs/dbraw/zinc/73/59/99/281735999.db2.gz IYNDSMFMDVAQQJ-UHFFFAOYSA-N 0 0 342.405 2.926 50 0 EFAARN Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](c1cccs1)C2 ZINC000010156557 281929177 /nfs/dbraw/zinc/92/91/77/281929177.db2.gz LZYWFOCWOKVXTM-CYBMUJFWSA-N 0 0 342.468 2.511 50 0 EFAARN C[C@@H]1Nc2ncnn2[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000011694756 288860153 /nfs/dbraw/zinc/86/01/53/288860153.db2.gz HQOSDIGJABKOAQ-IAOVAPTHSA-N 0 0 333.395 2.936 50 0 EFAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCCCCC4)n(C)c3nc12 ZINC000002917211 292710936 /nfs/dbraw/zinc/71/09/36/292710936.db2.gz BGZUTCFWFZHYBT-UHFFFAOYSA-N 0 0 338.411 2.511 50 0 EFAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N12 ZINC000000489758 289066557 /nfs/dbraw/zinc/06/65/57/289066557.db2.gz ORSIOYOQUPWJOK-PXAZEXFGSA-N 0 0 337.423 2.767 50 0 biogenic EFAARN CN(C)[C@@H](C(=O)N1CCC2(CCOCC2)CC1)c1ccccc1F ZINC000095382691 289271070 /nfs/dbraw/zinc/27/10/70/289271070.db2.gz GJOHMMNWDDYGNY-QGZVFWFLSA-N 0 0 334.435 2.848 50 0 EFAARN CN1CCC[C@]2(CCN(C(=O)c3scc4c3CCCC4)C2)C1=O ZINC000012203550 290003962 /nfs/dbraw/zinc/00/39/62/290003962.db2.gz KKMMAMLUJXMFGA-GOSISDBHSA-N 0 0 332.469 2.711 50 0 EFAARN Cc1cnc(C)c(N2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)n1 ZINC000095365906 292887837 /nfs/dbraw/zinc/88/78/37/292887837.db2.gz AMFCQNLOHQISEQ-IBGZPJMESA-N 0 0 328.460 2.855 50 0 EFAARN CC(C)Oc1cccc(CNC(=O)Cn2c3ccccc3oc2=O)c1 ZINC000128395558 293101502 /nfs/dbraw/zinc/10/15/02/293101502.db2.gz XLXWDLNCWJBXRE-UHFFFAOYSA-N 0 0 340.379 2.698 50 0 EFAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc2c(cc1C)OCCO2 ZINC000221173205 293120089 /nfs/dbraw/zinc/12/00/89/293120089.db2.gz WQCRVXWDKVCTRO-ZDUSSCGKSA-N 0 0 329.400 2.939 50 0 EFAARN Cn1c2nc3ccccc3n2c2c(c1=O)[C@@H](c1ccccc1)CC(=O)N2 ZINC000004708283 294192959 /nfs/dbraw/zinc/19/29/59/294192959.db2.gz KFTREWYYLIVIIC-CYBMUJFWSA-N 0 0 344.374 2.660 50 0 EFAARN Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000012365968 294360591 /nfs/dbraw/zinc/36/05/91/294360591.db2.gz NKLYLAWZYMAIJY-INIZCTEOSA-N 0 0 337.420 2.865 50 0 EFAARN COc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(OC)cc1Cl ZINC000000264653 295015313 /nfs/dbraw/zinc/01/53/13/295015313.db2.gz BMJCSHSYKKYZNO-SNVBAGLBSA-N 0 0 333.837 2.920 50 0 EFAARN COc1ccc(OC)c([C@@H]2NC(=S)N=C3C4CCN(CC4)C32)c1 ZINC000013598749 295181764 /nfs/dbraw/zinc/18/17/64/295181764.db2.gz PGQNBMMYJAYSJK-HNNXBMFYSA-N 0 0 331.441 2.571 50 0 EFAARN COc1ccc([C@H]2c3cc4c(cc3NC3=COC(=O)C32)OCO4)cc1 ZINC000026950863 295217946 /nfs/dbraw/zinc/21/79/46/295217946.db2.gz WEBUTZOAMUORPD-KRWDZBQOSA-N 0 0 337.331 2.792 50 0 EFAARN COc1ccc([C@@H]2c3c(C)onc3C[C@@](C)(O)[C@H]2C(C)=O)cc1OC ZINC000001066049 295233138 /nfs/dbraw/zinc/23/31/38/295233138.db2.gz NLXCKNGJJCILBJ-CEXWTWQISA-N 0 0 345.395 2.644 50 0 biogenic EFAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 ZINC000000184397 295250669 /nfs/dbraw/zinc/25/06/69/295250669.db2.gz HEMLHOZTHHKXFK-VXGBXAGGSA-N 0 0 340.305 2.651 50 0 EFAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]c(=S)n3C)c1OC ZINC000096775076 295315334 /nfs/dbraw/zinc/31/53/34/295315334.db2.gz RIDOZEAYCJSKBZ-VIFPVBQESA-N 0 0 347.396 2.584 50 0 EFAARN COc1ccccc1-c1ccnc2nc(N3CCCCC3)[nH]c(=O)c12 ZINC000013686071 295344466 /nfs/dbraw/zinc/34/44/66/295344466.db2.gz QJNNYJAQHNYGAS-UHFFFAOYSA-N 0 0 336.395 2.984 50 0 EFAARN COC(=O)Cn1cc(CNC2(c3cccc(Cl)c3)CCCC2)nn1 ZINC000295737230 295368573 /nfs/dbraw/zinc/36/85/73/295368573.db2.gz OQUWLFBDJUWIGR-UHFFFAOYSA-N 0 0 348.834 2.664 50 0 EFAARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1csnn1 ZINC000001387597 295590317 /nfs/dbraw/zinc/59/03/17/295590317.db2.gz SGOSSUVDJFJWKC-UHFFFAOYSA-N 0 0 332.332 2.684 50 0 EFAARN O=C(c1ccccc1-c1ccccc1)N1CCc2c(nc[nH]c2=O)C1 ZINC000071745596 304564061 /nfs/dbraw/zinc/56/40/61/304564061.db2.gz JSUKWGCOTAXZHR-UHFFFAOYSA-N 0 0 331.375 2.635 50 0 EFAARN C[C@H](C(=O)Nc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000006700949 298195565 /nfs/dbraw/zinc/19/55/65/298195565.db2.gz SHVAUIMXCHYGON-GFCCVEGCSA-N 0 0 336.388 2.619 50 0 EFAARN Cc1ccc(C2(C(=O)N3CCC[C@]4(CN(C)C(=O)O4)CC3)CC2)cc1 ZINC000072157869 301568208 /nfs/dbraw/zinc/56/82/08/301568208.db2.gz HVCUMLFVSDDJPT-LJQANCHMSA-N 0 0 342.439 2.860 50 0 EFAARN Cc1ccc(N2C(=S)N(C(=O)c3ccccc3)C[C@@]2(C)O)cc1 ZINC000000366680 301624372 /nfs/dbraw/zinc/62/43/72/301624372.db2.gz HVNUQAOBOCNAKP-GOSISDBHSA-N 0 0 326.421 2.951 50 0 EFAARN Cc1nc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)sc1C ZINC000012321532 302609598 /nfs/dbraw/zinc/60/95/98/302609598.db2.gz LYTBYYGNMDQCQJ-UHFFFAOYSA-N 0 0 334.792 2.641 50 0 EFAARN Cc1nc2cc(S(=O)(=O)c3ccc4[nH]c(C)nc4c3)ccc2[nH]1 ZINC000000355007 302664612 /nfs/dbraw/zinc/66/46/12/302664612.db2.gz YXLVEDPPXRBLQZ-UHFFFAOYSA-N 0 0 326.381 2.889 50 0 EFAARN Cc1nn(C)c(C)c1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C(C)C ZINC000079479508 302780234 /nfs/dbraw/zinc/78/02/34/302780234.db2.gz RMBZCOYJJLTLEX-CYBMUJFWSA-N 0 0 335.433 2.944 50 0 EFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccccc1)CC(=O)N2 ZINC000071280696 302806280 /nfs/dbraw/zinc/80/62/80/302806280.db2.gz GBZUFGMGOCBWDE-KBPBESRZSA-N 0 0 345.424 2.675 50 0 EFAARN Cn1cc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)CC2)c2ccccc21 ZINC000072173920 302906767 /nfs/dbraw/zinc/90/67/67/302906767.db2.gz FUNFIFHVBKTDFE-LJQANCHMSA-N 0 0 341.411 2.625 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000004226052 303232810 /nfs/dbraw/zinc/23/28/10/303232810.db2.gz DMDYIZUVUNJITL-IUCAKERBSA-N 0 0 337.253 2.647 50 0 EFAARN c1nc2c([nH]1)[C@@H](c1ccc3c(c1)OCCO3)N(Cc1cccnc1)CC2 ZINC000067587706 304863989 /nfs/dbraw/zinc/86/39/89/304863989.db2.gz GKWICQYYNGSJRY-HXUWFJFHSA-N 0 0 348.406 2.724 50 0 EFAARN Fc1ccc(N2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000301070604 311117262 /nfs/dbraw/zinc/11/72/62/311117262.db2.gz GXCITPNAABWMRH-UHFFFAOYSA-N 0 0 338.390 2.518 50 0 EFAARN CN(C(=O)Cc1ccon1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000331689861 311408028 /nfs/dbraw/zinc/40/80/28/311408028.db2.gz WRDZCFBSVOEFRZ-DZGCQCFKSA-N 0 0 341.194 2.641 50 0 EFAARN CC(C)(C)OC(=O)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1 ZINC000497241402 315363548 /nfs/dbraw/zinc/36/35/48/315363548.db2.gz WCRXWYBRKZIHCR-UHFFFAOYSA-N 0 0 333.432 2.768 50 0 EFAARN CC(=O)c1cc(C(=O)NCc2noc(-c3cccs3)n2)cs1 ZINC000550211925 318189750 /nfs/dbraw/zinc/18/97/50/318189750.db2.gz QXHLONDJHVMMPW-UHFFFAOYSA-N 0 0 333.394 2.992 50 0 EFAARN CCCc1sc(NC(=O)Cc2c(C)noc2C)nc1C(=O)OC ZINC000085431243 462546107 /nfs/dbraw/zinc/54/61/07/462546107.db2.gz BBEFFOPCSBTRBM-UHFFFAOYSA-N 0 0 337.401 2.668 50 0 EFAARN O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007767161 462749952 /nfs/dbraw/zinc/74/99/52/462749952.db2.gz JGIVKSUWYQJIGG-NSHDSACASA-N 0 0 341.392 2.877 50 0 EFAARN O=c1nc(CSc2ncccn2)[nH]c2sc3c(c21)CCCC3 ZINC000041103673 472044006 /nfs/dbraw/zinc/04/40/06/472044006.db2.gz STDUNVNFYBHSOG-UHFFFAOYSA-N 0 0 330.438 2.946 50 0 EFAARN CCc1nc(C)cn1S(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000041095520 472044503 /nfs/dbraw/zinc/04/45/03/472044503.db2.gz LJALBIUTJLNUGC-UHFFFAOYSA-N 0 0 328.821 2.961 50 0 EFAARN O=c1c2c(n(Cc3ccccc3)c(=O)n1Cc1ccccc1)CCC2 ZINC000041105037 472044663 /nfs/dbraw/zinc/04/46/63/472044663.db2.gz PGPBTRQAISXNAQ-UHFFFAOYSA-N 0 0 332.403 2.595 50 0 EFAARN COc1ccccc1-c1cc(C(=O)N[C@H]2CCOC(C)(C)C2)[nH]n1 ZINC000095475880 473211211 /nfs/dbraw/zinc/21/12/11/473211211.db2.gz YVFNXFUHSDFQDM-LBPRGKRZSA-N 0 0 329.400 2.773 50 0 EFAARN Cc1noc(C)c1-c1nn2c(nnc2-c2cc(C(C)C)nn2C)s1 ZINC000095473656 473211219 /nfs/dbraw/zinc/21/12/19/473211219.db2.gz XGENEQQULJVROF-UHFFFAOYSA-N 0 0 343.416 2.982 50 0 EFAARN COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1oc(C)cc(=O)c1O ZINC000095477433 473211236 /nfs/dbraw/zinc/21/12/36/473211236.db2.gz XWNVLNCFCOYCMF-SECBINFHSA-N 0 0 342.269 2.766 50 0 EFAARN O=C(c1csc(-n2cccc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000095474826 473211257 /nfs/dbraw/zinc/21/12/57/473211257.db2.gz PIHRFXJSFAIHMN-DYVFJYSZSA-N 0 0 331.441 2.701 50 0 EFAARN CC(C)n1ccc2c1cccc2C(=O)NCCCN1CCOCC1 ZINC000095476664 473211308 /nfs/dbraw/zinc/21/13/08/473211308.db2.gz UFWYRIGXZBOSHN-UHFFFAOYSA-N 0 0 329.444 2.674 50 0 EFAARN CC[C@@H](C)[C@H](C(=O)NCc1ccncc1)N1Cc2ccccc2C1=O ZINC000095472689 473210681 /nfs/dbraw/zinc/21/06/81/473210681.db2.gz KXKSBTRIFZSITD-RDTXWAMCSA-N 0 0 337.423 2.769 50 0 EFAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)NCc2ccco2)cc1 ZINC000095473815 473211448 /nfs/dbraw/zinc/21/14/48/473211448.db2.gz FGYCFMSNTHYWPV-UHFFFAOYSA-N 0 0 325.368 2.846 50 0 EFAARN COc1cc(OC)cc(-c2nnc3sc(-c4cc(C)no4)nn32)c1 ZINC000095473962 473211558 /nfs/dbraw/zinc/21/15/58/473211558.db2.gz VHBRTMGEIRNNGI-UHFFFAOYSA-N 0 0 343.368 2.833 50 0 EFAARN Cc1n[nH]c(C)c1CCC(=O)Nc1nnc(CCC2CCCC2)[nH]1 ZINC000095475570 473211997 /nfs/dbraw/zinc/21/19/97/473211997.db2.gz UGQYUJOHNZJHJD-UHFFFAOYSA-N 0 0 330.436 2.839 50 0 EFAARN CCCn1cc(-c2nnc3sc(-c4cccnc4)nn32)c(C)n1 ZINC000095476539 473212038 /nfs/dbraw/zinc/21/20/38/473212038.db2.gz CCDJTSHEPSJGOP-UHFFFAOYSA-N 0 0 325.401 2.830 50 0 EFAARN Cc1nc(-c2ccc(C)c(N3CCNC3=O)c2)n(CC(F)(F)F)n1 ZINC000095503854 473215644 /nfs/dbraw/zinc/21/56/44/473215644.db2.gz PUJGBHKIURIFRQ-UHFFFAOYSA-N 0 0 339.321 2.654 50 0 EFAARN Cc1nn(C)c2nc(N[C@@H](C)c3nc(-c4ccncc4)no3)sc12 ZINC000095504970 473215649 /nfs/dbraw/zinc/21/56/49/473215649.db2.gz LTGBJCNGGBKRTM-VIFPVBQESA-N 0 0 341.400 2.956 50 0 EFAARN CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC)nc3)n[nH]2)c1C ZINC000095479139 473212278 /nfs/dbraw/zinc/21/22/78/473212278.db2.gz 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/nfs/dbraw/zinc/21/30/35/473213035.db2.gz SPCKWCTXTQZWRS-HNNXBMFYSA-N 0 0 326.448 2.533 50 0 EFAARN CC(C)C[C@H](O)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 ZINC000095498946 473213229 /nfs/dbraw/zinc/21/32/29/473213229.db2.gz JKPALXTUUZLVLT-SFHVURJKSA-N 0 0 345.487 2.941 50 0 EFAARN COc1ccc(-c2nc(CN3C(=O)OC(C)(C)C3=O)c(C)o2)cc1 ZINC000095497989 473213828 /nfs/dbraw/zinc/21/38/28/473213828.db2.gz IPUMTNJSDAJEGI-UHFFFAOYSA-N 0 0 330.340 2.916 50 0 EFAARN Cc1nn(C)c2nc(NC3CCN(Cc4cccnc4)CC3)sc12 ZINC000095499859 473213976 /nfs/dbraw/zinc/21/39/76/473213976.db2.gz YGYCRGIPYKBSMF-UHFFFAOYSA-N 0 0 342.472 2.810 50 0 EFAARN COc1cccc([C@H]2CCN2C(=O)CN2CC3(CCCC3)CC2=O)c1 ZINC000095502100 473214199 /nfs/dbraw/zinc/21/41/99/473214199.db2.gz XJCIOKIAWGXIGT-QGZVFWFLSA-N 0 0 342.439 2.761 50 0 EFAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)C(=O)c2ccco2)C1 ZINC000095501636 473214527 /nfs/dbraw/zinc/21/45/27/473214527.db2.gz JTIVAJOYWZDNEO-CQSZACIVSA-N 0 0 329.400 2.865 50 0 EFAARN O=C(Nc1ccc(SCc2ccco2)cc1)N1CCOC[C@H](O)C1 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471328181 /nfs/dbraw/zinc/32/81/81/471328181.db2.gz RFRKXFAUIXHBJZ-UHFFFAOYSA-N 0 0 327.380 2.601 50 0 EFAARN Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000000147925 471328244 /nfs/dbraw/zinc/32/82/44/471328244.db2.gz MCEIQQALINQHMV-UHFFFAOYSA-N 0 0 347.390 2.653 50 0 EFAARN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000000147031 471328282 /nfs/dbraw/zinc/32/82/82/471328282.db2.gz OFCKOTCJAPNLDO-UHFFFAOYSA-N 0 0 325.773 2.912 50 0 EFAARN CCOC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2)c1 ZINC000000146063 471328375 /nfs/dbraw/zinc/32/83/75/471328375.db2.gz XULRQKVAEHQBIE-UHFFFAOYSA-N 0 0 328.393 2.990 50 0 EFAARN CCOC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000000145946 471328451 /nfs/dbraw/zinc/32/84/51/471328451.db2.gz DIAFQLXNPMINSU-UHFFFAOYSA-N 0 0 332.356 2.827 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000000155281 471328750 /nfs/dbraw/zinc/32/87/50/471328750.db2.gz ZSRMMWHAYDUQDC-UHFFFAOYSA-N 0 0 345.207 2.893 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 ZINC000000149206 471329286 /nfs/dbraw/zinc/32/92/86/471329286.db2.gz YVXQPWWRJPDLNH-UHFFFAOYSA-N 0 0 333.365 2.720 50 0 EFAARN COc1ccc(OC[C@H](O)CNC(=O)c2sccc2Cl)cc1 ZINC000000151563 471329411 /nfs/dbraw/zinc/32/94/11/471329411.db2.gz IEMGQVODNRBIDV-SNVBAGLBSA-N 0 0 341.816 2.580 50 0 EFAARN O=C(CSc1nnc(-c2ccncc2)o1)N1CCc2ccccc21 ZINC000000159587 471329763 /nfs/dbraw/zinc/32/97/63/471329763.db2.gz WGWNOHGIBDSZPH-UHFFFAOYSA-N 0 0 338.392 2.813 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(O)cc1 ZINC000000171301 471329982 /nfs/dbraw/zinc/32/99/82/471329982.db2.gz ZLMPVBUDVJRLTQ-HNNXBMFYSA-N 0 0 328.320 2.894 50 0 biogenic EFAARN CCOc1ccc(OCC)c(S(=O)(=O)n2cc(C)nc2CC)c1 ZINC000000180399 471331602 /nfs/dbraw/zinc/33/16/02/471331602.db2.gz OOMMMGNKXCQNLD-UHFFFAOYSA-N 0 0 338.429 2.788 50 0 EFAARN Cc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000187366 471332194 /nfs/dbraw/zinc/33/21/94/471332194.db2.gz RPUCHTDKXWETGM-UHFFFAOYSA-N 0 0 326.425 2.920 50 0 EFAARN COc1ccc(Br)cc1S(=O)(=O)n1nc(C)cc1C ZINC000000192095 471332543 /nfs/dbraw/zinc/33/25/43/471332543.db2.gz OGIOETOLLHCSAJ-UHFFFAOYSA-N 0 0 345.218 2.508 50 0 EFAARN CCNc1nc(NCC)nc(SCC(=O)c2ccc(F)cc2)n1 ZINC000000192085 471332891 /nfs/dbraw/zinc/33/28/91/471332891.db2.gz PFAWMODPQXCXQF-UHFFFAOYSA-N 0 0 335.408 2.849 50 0 EFAARN CCOC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1 ZINC000000194965 471333163 /nfs/dbraw/zinc/33/31/63/471333163.db2.gz SLJYKIPVACSQMU-UHFFFAOYSA-N 0 0 337.441 2.832 50 0 EFAARN COc1c2ccoc2nc2c1CC[C@H](O)[C@]2(CCC(C)(C)O)OC ZINC000000199433 471333324 /nfs/dbraw/zinc/33/33/24/471333324.db2.gz KHGNFPUMBJSZSM-UGSOOPFHSA-N 0 0 335.400 2.536 50 0 biogenic EFAARN CCOC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000000195324 471333338 /nfs/dbraw/zinc/33/33/38/471333338.db2.gz OXRKIWWJEWPWAG-UHFFFAOYSA-N 0 0 340.217 2.864 50 0 EFAARN CCc1ccc(NC(=O)C[C@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1 ZINC000000195774 471333697 /nfs/dbraw/zinc/33/36/97/471333697.db2.gz GVFBCQZYVBTXNX-KRWDZBQOSA-N 0 0 326.396 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/nfs/dbraw/zinc/33/99/96/471339996.db2.gz AOZFEVPTSJMZGZ-UHFFFAOYSA-N 0 0 342.351 2.641 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1 ZINC000000249057 471340286 /nfs/dbraw/zinc/34/02/86/471340286.db2.gz AUTAHAXBVMFIRR-UHFFFAOYSA-N 0 0 325.430 2.873 50 0 EFAARN CN(C(=O)c1ccccn1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000000246600 471340562 /nfs/dbraw/zinc/34/05/62/471340562.db2.gz FOEHXTGVQIGTNS-UHFFFAOYSA-N 0 0 329.444 2.915 50 0 EFAARN Cc1sc2ncnc(N3CCN(C(=O)c4ccco4)CC3)c2c1C ZINC000000250276 471340600 /nfs/dbraw/zinc/34/06/00/471340600.db2.gz JRZUVJJCAOSSDS-UHFFFAOYSA-N 0 0 342.424 2.864 50 0 EFAARN Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2C(C)C)cc1 ZINC000000265722 471341457 /nfs/dbraw/zinc/34/14/57/471341457.db2.gz HWTBMLOUMLYHMS-UHFFFAOYSA-N 0 0 344.440 2.605 50 0 EFAARN CCOc1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1 ZINC000000261808 471341798 /nfs/dbraw/zinc/34/17/98/471341798.db2.gz ZZNKXGOOXACZPD-UHFFFAOYSA-N 0 0 329.352 2.924 50 0 EFAARN COc1ccc(C(=O)Cn2c3ccccc3n3ncnc23)cc1OC ZINC000000268662 471341832 /nfs/dbraw/zinc/34/18/32/471341832.db2.gz OCROINQMORPESG-UHFFFAOYSA-N 0 0 336.351 2.584 50 0 EFAARN O=C(Cc1ccccc1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F ZINC000000269955 471342229 /nfs/dbraw/zinc/34/22/29/471342229.db2.gz LIXCGTOGASQPEM-INIZCTEOSA-N 0 0 349.312 2.512 50 0 EFAARN Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 ZINC000000279341 471342499 /nfs/dbraw/zinc/34/24/99/471342499.db2.gz XDEBRZPBBOMYAC-UHFFFAOYSA-N 0 0 338.436 2.891 50 0 EFAARN NC(=O)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000000269378 471342726 /nfs/dbraw/zinc/34/27/26/471342726.db2.gz WSPCGMYOAYOFMJ-UHFFFAOYSA-N 0 0 326.849 2.546 50 0 EFAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3F)CC2=O)cc1 ZINC000000270139 471342805 /nfs/dbraw/zinc/34/28/05/471342805.db2.gz DIZVJEGNDUARFM-LLVKDONJSA-N 0 0 346.333 2.965 50 0 EFAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000000274545 471342898 /nfs/dbraw/zinc/34/28/98/471342898.db2.gz MRNAAEZIRCHUJF-UHFFFAOYSA-N 0 0 344.436 2.504 50 0 EFAARN COc1ccccc1[C@H]1NC(=S)N=C(C)C1C(=O)OC(C)(C)C ZINC000000279846 471342988 /nfs/dbraw/zinc/34/29/88/471342988.db2.gz WKXFPHPNPASBRC-CQSZACIVSA-N 0 0 334.441 2.830 50 0 EFAARN O=C(c1cccnc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccccc1 ZINC000000291890 471344134 /nfs/dbraw/zinc/34/41/34/471344134.db2.gz BOQARAFEDWGYLS-OAHLLOKOSA-N 0 0 335.285 2.691 50 0 EFAARN O=C(Cc1ccccc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F ZINC000000302761 471344506 /nfs/dbraw/zinc/34/45/06/471344506.db2.gz APWDLWXTHWLIBK-INIZCTEOSA-N 0 0 349.312 2.512 50 0 EFAARN COc1cc(NC(=S)NC[C@H](O)c2ccccc2)cc(OC)c1 ZINC000000305235 471344656 /nfs/dbraw/zinc/34/46/56/471344656.db2.gz ZJDCGGNNIQWENZ-INIZCTEOSA-N 0 0 332.425 2.724 50 0 EFAARN CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(c2ccncc2)C1 ZINC000000302844 471344688 /nfs/dbraw/zinc/34/46/88/471344688.db2.gz OSLRRKNNZSRLPY-GOSISDBHSA-N 0 0 325.368 2.547 50 0 EFAARN Cc1ccccc1C(=O)Oc1ccccc1C(=O)N1CCOCC1 ZINC000000296637 471344728 /nfs/dbraw/zinc/34/47/28/471344728.db2.gz CNHPUOKJCUTMLY-UHFFFAOYSA-N 0 0 325.364 2.687 50 0 EFAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000304431 471345024 /nfs/dbraw/zinc/34/50/24/471345024.db2.gz LKQCULAVYARNQS-UHFFFAOYSA-N 0 0 332.425 2.856 50 0 EFAARN COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)cc1C ZINC000000310714 471345668 /nfs/dbraw/zinc/34/56/68/471345668.db2.gz NUPQTBVPSDUYQC-UHFFFAOYSA-N 0 0 349.408 2.519 50 0 EFAARN COc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1Cl ZINC000000309577 471345705 /nfs/dbraw/zinc/34/57/05/471345705.db2.gz WJMOWLVOJNOVSG-UHFFFAOYSA-N 0 0 335.816 2.548 50 0 EFAARN Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccco1 ZINC000000312149 471346734 /nfs/dbraw/zinc/34/67/34/471346734.db2.gz KLZITMPFAZYWHX-UHFFFAOYSA-N 0 0 330.369 2.512 50 0 EFAARN COC(=O)C1=C(C)NC(=S)N[C@H]1c1c(Cl)cccc1Cl ZINC000000311313 471346786 /nfs/dbraw/zinc/34/67/86/471346786.db2.gz DYPNFYMENICQDX-LLVKDONJSA-N 0 0 331.224 2.959 50 0 EFAARN C[C@@H](C(=O)Nc1cccc(F)c1)N(c1ccccc1)S(C)(=O)=O ZINC000000314697 471346889 /nfs/dbraw/zinc/34/68/89/471346889.db2.gz ZUAQQGRIWUMUOH-LBPRGKRZSA-N 0 0 336.388 2.619 50 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COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000000342117 471349459 /nfs/dbraw/zinc/34/94/59/471349459.db2.gz BOXVKLXNWUWHBD-UHFFFAOYSA-N 0 0 332.356 2.739 50 0 EFAARN Cc1ccc(NC(=O)C[C@H]2OCCN(Cc3ccccc3)C2=O)cc1 ZINC000000339216 471349499 /nfs/dbraw/zinc/34/94/99/471349499.db2.gz KVAZGXILHIBXFT-GOSISDBHSA-N 0 0 338.407 2.751 50 0 EFAARN O=C1c2cccc3cccc(c23)N1CN1CCN(c2ccccn2)CC1 ZINC000000351659 471349742 /nfs/dbraw/zinc/34/97/42/471349742.db2.gz HTRVJZNOJDISMZ-UHFFFAOYSA-N 0 0 344.418 2.975 50 0 EFAARN CC1(C)Cc2c(sc3nc(Nc4ccccc4)n(N)c(=O)c32)CO1 ZINC000000341101 471349848 /nfs/dbraw/zinc/34/98/48/471349848.db2.gz TZXRYWKJSNDAHT-UHFFFAOYSA-N 0 0 342.424 2.767 50 0 EFAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1ccc3c(c1)OCO3)CC2=O ZINC000000352717 471350405 /nfs/dbraw/zinc/35/04/05/471350405.db2.gz SWSIREKHGQGLSX-RBUKOAKNSA-N 0 0 329.396 2.817 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(O)cc1O ZINC000000358199 471350870 /nfs/dbraw/zinc/35/08/70/471350870.db2.gz QCHPFIFYJYDMMO-HNNXBMFYSA-N 0 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348.402 2.689 50 0 EFAARN Cc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 ZINC000000389218 471354001 /nfs/dbraw/zinc/35/40/01/471354001.db2.gz DOTGVMLRGVTVPN-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN COc1ccc([C@@H]2Nc3ccc(OC)cc3SC(=O)[C@@H]2O)cc1 ZINC000000386949 471354003 /nfs/dbraw/zinc/35/40/03/471354003.db2.gz LRNCOGWUGWGGJP-JKSUJKDBSA-N 0 0 331.393 2.850 50 0 EFAARN c1ccc2c(c1)OC[C@H](c1nnc3sc(-c4cccnc4)nn31)O2 ZINC000000383151 471354052 /nfs/dbraw/zinc/35/40/52/471354052.db2.gz IIQSWMOSEIWLSG-CYBMUJFWSA-N 0 0 337.364 2.760 50 0 EFAARN Cc1oncc1C(=O)Nc1ccc(I)cc1 ZINC000000385197 471354106 /nfs/dbraw/zinc/35/41/06/471354106.db2.gz LTOIKBCWFOMQRB-UHFFFAOYSA-N 0 0 328.109 2.840 50 0 EFAARN C[C@H](C(=O)OCc1nc2ccccc2[nH]1)n1cnc2ccccc2c1=O ZINC000000389152 471354120 /nfs/dbraw/zinc/35/41/20/471354120.db2.gz VIZHGCLCIAXUCR-GFCCVEGCSA-N 0 0 348.362 2.577 50 0 EFAARN COc1cccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 ZINC000000390753 471354538 /nfs/dbraw/zinc/35/45/38/471354538.db2.gz 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/nfs/dbraw/zinc/36/16/13/471361613.db2.gz DICHHKKXAAKIAW-NXEZZACHSA-N 0 0 345.180 2.541 50 0 EFAARN CC(=O)Oc1cccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)c1 ZINC000000454989 471362027 /nfs/dbraw/zinc/36/20/27/471362027.db2.gz VQCCGTYZNIJVKF-UHFFFAOYSA-N 0 0 339.303 2.706 50 0 EFAARN O=C(C=Cc1ccc(Cl)cc1)NC(=S)NCc1cccnc1 ZINC000000457207 471362296 /nfs/dbraw/zinc/36/22/96/471362296.db2.gz CXNQWUIGXIKYCT-VMPITWQZSA-N 0 0 331.828 2.939 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000000456072 471362462 /nfs/dbraw/zinc/36/24/62/471362462.db2.gz BZBRPDXRHCAKCW-CMDGGOBGSA-N 0 0 330.365 2.593 50 0 EFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(SC)cc2OC)C1 ZINC000000456957 471362475 /nfs/dbraw/zinc/36/24/75/471362475.db2.gz SRTQKLISBSBJNV-LBPRGKRZSA-N 0 0 337.441 2.832 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)Cc1ccccc1 ZINC000000456425 471362484 /nfs/dbraw/zinc/36/24/84/471362484.db2.gz IPLSAGMYMDHJAS-UHFFFAOYSA-N 0 0 328.393 2.529 50 0 EFAARN NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br ZINC000000452650 471362614 /nfs/dbraw/zinc/36/26/14/471362614.db2.gz ZEZUMFWNPSQFES-GXDHUFHOSA-N 0 0 345.196 2.705 50 0 EFAARN COc1ccc(CCNC(=O)C(Cl)(Cl)Cl)cc1OC ZINC000000458025 471362627 /nfs/dbraw/zinc/36/26/27/471362627.db2.gz KNWACDYQQXCWSC-UHFFFAOYSA-N 0 0 326.607 2.733 50 0 EFAARN COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000000466563 471362895 /nfs/dbraw/zinc/36/28/95/471362895.db2.gz LZZMTRDFYVBWGT-UHFFFAOYSA-N 0 0 339.347 2.677 50 0 EFAARN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1F ZINC000000462734 471363186 /nfs/dbraw/zinc/36/31/86/471363186.db2.gz ANPBQRLTTXYNDB-UHFFFAOYSA-N 0 0 332.356 2.724 50 0 EFAARN O=C(c1ccco1)N1CCN(C(=S)Nc2cccc(F)c2)CC1 ZINC000000468730 471363491 /nfs/dbraw/zinc/36/34/91/471363491.db2.gz VMNBOPFIRBYDIU-UHFFFAOYSA-N 0 0 333.388 2.574 50 0 EFAARN Cc1cc(C)cc(NC(=S)N2CCN(c3ncccn3)CC2)c1 ZINC000000472322 471364052 /nfs/dbraw/zinc/36/40/52/471364052.db2.gz MYCRIBRZFAXQDT-UHFFFAOYSA-N 0 0 327.457 2.612 50 0 EFAARN Cc1cc(Cl)ccc1NC(=S)N1CCN(c2ncccn2)CC1 ZINC000000477241 471364071 /nfs/dbraw/zinc/36/40/71/471364071.db2.gz GOJASLSTQKFGDR-UHFFFAOYSA-N 0 0 347.875 2.957 50 0 EFAARN Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000000469798 471364549 /nfs/dbraw/zinc/36/45/49/471364549.db2.gz ICXLBFRSWMJYFC-UHFFFAOYSA-N 0 0 332.425 2.952 50 0 EFAARN Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000469711 471364634 /nfs/dbraw/zinc/36/46/34/471364634.db2.gz OCUKZFDDPXQGNO-UHFFFAOYSA-N 0 0 338.816 2.565 50 0 EFAARN CC1=C[C@@](O)(C(F)(F)OC(F)(F)F)N(C(=O)c2ccccc2)N1 ZINC000000479746 471365495 /nfs/dbraw/zinc/36/54/95/471365495.db2.gz OSXQGVXUZCVJQO-LLVKDONJSA-N 0 0 338.232 2.726 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 ZINC000000479551 471365546 /nfs/dbraw/zinc/36/55/46/471365546.db2.gz RPXYISNMTRAUFM-UHFFFAOYSA-N 0 0 338.816 2.777 50 0 EFAARN Cc1nnc(SCC(=O)N2CCCC2)n1-c1ccc(C)c(C)c1 ZINC000000479271 471365584 /nfs/dbraw/zinc/36/55/84/471365584.db2.gz PHNABWSADRNUGR-UHFFFAOYSA-N 0 0 330.457 2.907 50 0 EFAARN COc1ccc2c(c1)[nH]c1c2ncn(Cc2ccccc2OC)c1=O ZINC000000489508 471365732 /nfs/dbraw/zinc/36/57/32/471365732.db2.gz YGOVYHXSDOGHHT-UHFFFAOYSA-N 0 0 335.363 2.943 50 0 biogenic EFAARN COC(=O)c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000487807 471365740 /nfs/dbraw/zinc/36/57/40/471365740.db2.gz HRXBDFBHZFNGRK-UHFFFAOYSA-N 0 0 346.335 2.718 50 0 EFAARN O=C(c1ccncc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F ZINC000000500967 471366400 /nfs/dbraw/zinc/36/64/00/471366400.db2.gz VZYZZSKFUMNZLJ-OAHLLOKOSA-N 0 0 335.285 2.583 50 0 EFAARN COC(=O)Oc1ccc(/C=C/C(=O)OC(C)C)cc1OC(=O)OC ZINC000000493800 471366597 /nfs/dbraw/zinc/36/65/97/471366597.db2.gz VAYUHQPNGALJSU-SOFGYWHQSA-N 0 0 338.312 2.942 50 0 EFAARN COC(=O)c1ccc(N(C)C)c(NC(=O)CC(=O)c2ccccc2)c1 ZINC000000507162 471366607 /nfs/dbraw/zinc/36/66/07/471366607.db2.gz NIYMUMLIXTYFTN-UHFFFAOYSA-N 0 0 340.379 2.751 50 0 EFAARN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N12 ZINC000000489757 471366786 /nfs/dbraw/zinc/36/67/86/471366786.db2.gz ORSIOYOQUPWJOK-SJCJKPOMSA-N 0 0 337.423 2.767 50 0 biogenic EFAARN CC(=O)Nc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 ZINC000000502837 471366881 /nfs/dbraw/zinc/36/68/81/471366881.db2.gz JEJOTJRWVFYGDG-UHFFFAOYSA-N 0 0 327.409 2.701 50 0 EFAARN CCOc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1 ZINC000000522404 471367286 /nfs/dbraw/zinc/36/72/86/471367286.db2.gz GOFABEGNOJDTOE-INIZCTEOSA-N 0 0 326.352 2.613 50 0 EFAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 ZINC000000523971 471367510 /nfs/dbraw/zinc/36/75/10/471367510.db2.gz NAAMEWRPPKCUGI-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN COc1cccc(OC)c1-c1nn2c(nnc2-c2cccnc2)s1 ZINC000000524012 471367754 /nfs/dbraw/zinc/36/77/54/471367754.db2.gz FSBXJBAHUVTITJ-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN Cc1ccccc1-c1nc2s/c(=C\c3ccccc3F)c(=O)n2n1 ZINC000000532057 471368692 /nfs/dbraw/zinc/36/86/92/471368692.db2.gz NFWLWADAVAJXJD-GDNBJRDFSA-N 0 0 337.379 2.813 50 0 EFAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1 ZINC000000528287 471369080 /nfs/dbraw/zinc/36/90/80/471369080.db2.gz DOYRFUVDLDGMGN-UHFFFAOYSA-N 0 0 339.424 2.698 50 0 EFAARN CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccccc1 ZINC000000537043 471369295 /nfs/dbraw/zinc/36/92/95/471369295.db2.gz BZOBUCKAHUCMAB-UWJYYQICSA-N 0 0 348.402 2.860 50 0 EFAARN Cn1nc(-c2ccc(C(=O)N3CCCC3)cc2)c2ccccc2c1=O ZINC000000537156 471369645 /nfs/dbraw/zinc/36/96/45/471369645.db2.gz JJLAEZXAZNOFGR-UHFFFAOYSA-N 0 0 333.391 2.837 50 0 EFAARN CCOC(=O)c1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)OC)c1 ZINC000000543943 471369835 /nfs/dbraw/zinc/36/98/35/471369835.db2.gz UZQOQYSYKMDGDI-AWEZNQCLSA-N 0 0 336.388 2.573 50 0 EFAARN Fc1ccc(-n2ncc3c4nnc(-c5cccnc5)n4cnc32)cc1 ZINC000000545138 471369906 /nfs/dbraw/zinc/36/99/06/471369906.db2.gz TZJBWLQGXAZXOJ-UHFFFAOYSA-N 0 0 331.314 2.664 50 0 EFAARN Nc1nnc(SCC(=O)c2ccc(Br)cc2)s1 ZINC000000536284 471369971 /nfs/dbraw/zinc/36/99/71/471369971.db2.gz POHMJWBJVCBZTL-UHFFFAOYSA-N 0 0 330.232 2.858 50 0 EFAARN Fc1ccc(-n2ncc3c4nnc(-c5ccncc5)n4cnc32)cc1 ZINC000000542272 471370022 /nfs/dbraw/zinc/37/00/22/471370022.db2.gz MVUWZCFFNUZGAE-UHFFFAOYSA-N 0 0 331.314 2.664 50 0 EFAARN COC(=O)c1cn(CC(=O)NCc2cccs2)c2ccccc12 ZINC000000555884 471370212 /nfs/dbraw/zinc/37/02/12/471370212.db2.gz UYSSLPKTQNZQQQ-UHFFFAOYSA-N 0 0 328.393 2.806 50 0 EFAARN CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000550373 471370887 /nfs/dbraw/zinc/37/08/87/471370887.db2.gz SNKISUFDMOGMKV-SFHVURJKSA-N 0 0 336.391 2.796 50 0 EFAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2ccccc21 ZINC000000563052 471371647 /nfs/dbraw/zinc/37/16/47/471371647.db2.gz TZZBYEXCCMADLX-UHFFFAOYSA-N 0 0 342.782 2.655 50 0 EFAARN O=S(=O)(Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000000562958 471371655 /nfs/dbraw/zinc/37/16/55/471371655.db2.gz WQCBLIFJWOQPCI-UHFFFAOYSA-N 0 0 327.308 2.537 50 0 EFAARN C[C@@H](C(=O)Nc1cccc2cccnc21)N1C(=O)c2ccccc2C1=O ZINC000000608773 471372255 /nfs/dbraw/zinc/37/22/55/471372255.db2.gz DNBZTQIXMIWZJN-LBPRGKRZSA-N 0 0 345.358 2.858 50 0 EFAARN CC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O ZINC000000578605 471372354 /nfs/dbraw/zinc/37/23/54/471372354.db2.gz BDORZEWXTRIZQK-UHFFFAOYSA-N 0 0 338.363 2.516 50 0 EFAARN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 ZINC000000609517 471372902 /nfs/dbraw/zinc/37/29/02/471372902.db2.gz DGANPUAIJHLALB-UHFFFAOYSA-N 0 0 331.802 2.989 50 0 EFAARN COc1ccc(S(=O)(=O)NCCC(C)C)cc1Br ZINC000000611860 471373288 /nfs/dbraw/zinc/37/32/88/471373288.db2.gz MMTAOZDQTOWVAD-UHFFFAOYSA-N 0 0 336.251 2.782 50 0 EFAARN Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(F)cc2F)n1 ZINC000000612780 471373314 /nfs/dbraw/zinc/37/33/14/471373314.db2.gz JDIIEURFVGBJAI-UHFFFAOYSA-N 0 0 329.310 2.565 50 0 EFAARN CSc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 ZINC000000615411 471373340 /nfs/dbraw/zinc/37/33/40/471373340.db2.gz PQOJSJSQQSNEBV-UHFFFAOYSA-N 0 0 331.445 2.511 50 0 EFAARN COC(=O)c1c2c(sc1NC(=S)NCc1ccccn1)CCC2 ZINC000000611852 471373511 /nfs/dbraw/zinc/37/35/11/471373511.db2.gz CORVVGHWWSGABV-UHFFFAOYSA-N 0 0 347.465 2.905 50 0 EFAARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F ZINC000000614463 471373694 /nfs/dbraw/zinc/37/36/94/471373694.db2.gz KTFJSKIITFTJGW-HNNXBMFYSA-N 0 0 347.317 2.928 50 0 EFAARN CC(=O)c1c(C)nn(C[C@H](O)COc2ccc3c(c2)CCC3)c1C ZINC000000614531 471374019 /nfs/dbraw/zinc/37/40/19/471374019.db2.gz JNWKHNANKUHZDT-KRWDZBQOSA-N 0 0 328.412 2.631 50 0 EFAARN O=S(=O)(c1ccc(Cl)cc1)N1CCn2c3ccccc3nc21 ZINC000000618033 471374655 /nfs/dbraw/zinc/37/46/55/471374655.db2.gz VGPXLLFFATXJNH-UHFFFAOYSA-N 0 0 333.800 2.899 50 0 EFAARN CCn1cc([C@H](C)NC(=O)Nc2ccccc2C(=O)OC)c(C)n1 ZINC000000621499 471374864 /nfs/dbraw/zinc/37/48/64/471374864.db2.gz MACPLJGPQURFIW-NSHDSACASA-N 0 0 330.388 2.881 50 0 EFAARN O=C(NC1CCCCC1)[C@@H](C(=O)c1ccccc1)n1ccccc1=O ZINC000000819442 471376955 /nfs/dbraw/zinc/37/69/55/471376955.db2.gz SJMJMVYLGBSCEY-GOSISDBHSA-N 0 0 338.407 2.721 50 0 EFAARN CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 ZINC000000905136 471377568 /nfs/dbraw/zinc/37/75/68/471377568.db2.gz INXGXRHJNGKMCX-UHFFFAOYSA-N 0 0 331.445 2.511 50 0 EFAARN NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCc1ccccc1-2 ZINC000001056421 471379721 /nfs/dbraw/zinc/37/97/21/471379721.db2.gz HXCYKGAIZGNVGK-ZDUSSCGKSA-N 0 0 342.420 2.730 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000001049072 471379837 /nfs/dbraw/zinc/37/98/37/471379837.db2.gz LKUFXEYHUPUOOX-LLVKDONJSA-N 0 0 327.783 2.823 50 0 EFAARN O=S(=O)(NCc1ccccc1Br)c1cccs1 ZINC000001055070 471380359 /nfs/dbraw/zinc/38/03/59/471380359.db2.gz NROPKIPQDBNFSR-UHFFFAOYSA-N 0 0 332.244 2.989 50 0 EFAARN O=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000001074389 471380934 /nfs/dbraw/zinc/38/09/34/471380934.db2.gz SBWQRAUSKHEQAX-UHFFFAOYSA-N 0 0 336.457 2.534 50 0 EFAARN COc1cc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)ccc1O ZINC000001067289 471380973 /nfs/dbraw/zinc/38/09/73/471380973.db2.gz LCRIOFMFIPBLEP-LLVKDONJSA-N 0 0 329.352 2.892 50 0 EFAARN COc1ccc(NC(=S)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000001069128 471381654 /nfs/dbraw/zinc/38/16/54/471381654.db2.gz ZAMJMKKERKSZIM-AWEZNQCLSA-N 0 0 347.484 2.726 50 0 EFAARN NC(=O)COc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000001125133 471382005 /nfs/dbraw/zinc/38/20/05/471382005.db2.gz DEYVLMQLHBXPMB-UHFFFAOYSA-N 0 0 349.184 2.566 50 0 EFAARN CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC ZINC000001137549 471382159 /nfs/dbraw/zinc/38/21/59/471382159.db2.gz UHBIWODCFCNGQT-HNNXBMFYSA-N 0 0 340.379 2.620 50 0 EFAARN COc1cccc(N(C(=O)c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000001137568 471382870 /nfs/dbraw/zinc/38/28/70/471382870.db2.gz LPMCSXOIIDWYCN-INIZCTEOSA-N 0 0 343.404 2.653 50 0 EFAARN COc1ccc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001261246 471383198 /nfs/dbraw/zinc/38/31/98/471383198.db2.gz WYXMGONJMHBFBF-LFIBNONCSA-N 0 0 340.404 2.966 50 0 EFAARN Cc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 ZINC000001346254 471386028 /nfs/dbraw/zinc/38/60/28/471386028.db2.gz JPTRRWTWEBLNPM-UHFFFAOYSA-N 0 0 344.374 2.774 50 0 EFAARN COC(=O)c1c2n(c(-c3ccc(OC)cc3)c1C(=O)OC)CCC2 ZINC000001385016 471387209 /nfs/dbraw/zinc/38/72/09/471387209.db2.gz PFQGEHCYRPLWPR-UHFFFAOYSA-N 0 0 329.352 2.683 50 0 EFAARN CCOC(=O)c1csc(Nc2nc(C(F)(F)F)cc(=O)[nH]2)n1 ZINC000001384556 471387368 /nfs/dbraw/zinc/38/73/68/471387368.db2.gz FGCIEPXUDMOZHU-UHFFFAOYSA-N 0 0 334.279 2.578 50 0 EFAARN O=[S@@](c1cccc(C(F)(F)F)c1)c1ccc2nnc(Cl)n2n1 ZINC000001395690 471388361 /nfs/dbraw/zinc/38/83/61/471388361.db2.gz UKWZLVVUVIMKQN-JOCHJYFZSA-N 0 0 346.721 2.963 50 0 EFAARN CN1O[C@@H](CC(=O)NC2CCCC2)N(c2ccc(Cl)cc2)C1=O ZINC000001394436 471388418 /nfs/dbraw/zinc/38/84/18/471388418.db2.gz OGVPMAXBWFPVOQ-HNNXBMFYSA-N 0 0 337.807 2.918 50 0 EFAARN CN1CCN(c2ncccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000001390250 471388654 /nfs/dbraw/zinc/38/86/54/471388654.db2.gz XDOOLDBTGNTELB-UHFFFAOYSA-N 0 0 330.819 2.739 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 ZINC000001386674 471388709 /nfs/dbraw/zinc/38/87/09/471388709.db2.gz NGNFKBYLNTWQBR-UHFFFAOYSA-N 0 0 339.395 2.812 50 0 EFAARN COC(=O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000001387859 471388953 /nfs/dbraw/zinc/38/89/53/471388953.db2.gz UGMLAKAURKMFCH-UHFFFAOYSA-N 0 0 329.303 2.823 50 0 EFAARN Cc1ccc(Oc2ncccc2C(=O)N[C@@H]2CCSC2=O)cc1 ZINC000001404281 471389303 /nfs/dbraw/zinc/38/93/03/471389303.db2.gz WFSKTCABLOEWSA-CQSZACIVSA-N 0 0 328.393 2.944 50 0 EFAARN CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1N1CCSCC1 ZINC000001397847 471389359 /nfs/dbraw/zinc/38/93/59/471389359.db2.gz LIRFAKRVNGUFTH-UHFFFAOYSA-N 0 0 344.440 2.577 50 0 EFAARN O=C(CC(=O)Nc1cnccn1)Nc1ccc(Cl)c(Cl)c1 ZINC000001405818 471389371 /nfs/dbraw/zinc/38/93/71/471389371.db2.gz LXGGSYFIKPWFMZ-UHFFFAOYSA-N 0 0 325.155 2.751 50 0 EFAARN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000001422636 471389925 /nfs/dbraw/zinc/38/99/25/471389925.db2.gz HYYXNIFDETUMBX-SFHVURJKSA-N 0 0 338.407 2.777 50 0 EFAARN COc1ccc(/C=C/S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000001398430 471390099 /nfs/dbraw/zinc/39/00/99/471390099.db2.gz CUMCHZYDQXOPFT-CMDGGOBGSA-N 0 0 347.392 2.514 50 0 EFAARN COc1ccccc1CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000001402190 471390176 /nfs/dbraw/zinc/39/01/76/471390176.db2.gz DCONSSAZEMQYDR-INIZCTEOSA-N 0 0 342.420 2.815 50 0 EFAARN COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)c1 ZINC000001399077 471390282 /nfs/dbraw/zinc/39/02/82/471390282.db2.gz YVIVQKLHOKIPGJ-UHFFFAOYSA-N 0 0 335.363 2.579 50 0 EFAARN Cn1c2ccccc2c2c(c1=O)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000001427911 471390933 /nfs/dbraw/zinc/39/09/33/471390933.db2.gz XDEQIKCRUBLFOS-ZDUSSCGKSA-N 0 0 349.342 2.708 50 0 EFAARN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000001428225 471391296 /nfs/dbraw/zinc/39/12/96/471391296.db2.gz GSSICZSHQGGGDV-DDTOSNHZSA-N 0 0 336.359 2.775 50 0 EFAARN O=C(NCCc1ccccc1)c1ccc(I)o1 ZINC000001462939 471392356 /nfs/dbraw/zinc/39/23/56/471392356.db2.gz DAGYEQIUYQPQMW-UHFFFAOYSA-N 0 0 341.148 2.857 50 0 EFAARN Brc1ccc(C2=NCSC(N3CCOCC3)=N2)cc1 ZINC000001776060 471397511 /nfs/dbraw/zinc/39/75/11/471397511.db2.gz FZXAULJHQBNAHV-UHFFFAOYSA-N 0 0 340.246 2.588 50 0 EFAARN CCCCOC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000001775327 471398156 /nfs/dbraw/zinc/39/81/56/471398156.db2.gz RGRNZIOCNLKPKH-UHFFFAOYSA-N 0 0 339.189 2.502 50 0 biogenic,in-vitro EFAARN COc1ccc(C(=O)Cn2c3ccccc3nc2NCCCO)cc1 ZINC000001833493 471398666 /nfs/dbraw/zinc/39/86/66/471398666.db2.gz AUZZHJZLYCAGRD-UHFFFAOYSA-N 0 0 339.395 2.722 50 0 EFAARN CCOP(=O)(OCC)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000001830257 471399541 /nfs/dbraw/zinc/39/95/41/471399541.db2.gz RVUGFLTYTFUSGR-CQSZACIVSA-N 0 0 334.305 2.969 50 0 EFAARN COCCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000001891412 471399705 /nfs/dbraw/zinc/39/97/05/471399705.db2.gz VWVPARCNRWAVDR-UHFFFAOYSA-N 0 0 343.379 2.816 50 0 EFAARN CC(C)n1cnc2c1nc(NCCCO)nc2NCc1ccccc1 ZINC000002002752 471399877 /nfs/dbraw/zinc/39/98/77/471399877.db2.gz OPQGFIAVPSXOBO-UHFFFAOYSA-N 0 0 340.431 2.814 50 0 in-vivo EFAARN O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO ZINC000002016364 471399959 /nfs/dbraw/zinc/39/99/59/471399959.db2.gz FOCBRQQHNOKOJQ-UHFFFAOYSA-N 0 0 332.762 2.655 50 0 in-vitro EFAARN Cc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)ccc12 ZINC000002090611 471401098 /nfs/dbraw/zinc/40/10/98/471401098.db2.gz BYEPYTRVWTXCMG-UHFFFAOYSA-N 0 0 347.367 2.922 50 0 biogenic EFAARN COc1ccc(C(=O)[C@@H]2O[C@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000002144012 471402369 /nfs/dbraw/zinc/40/23/69/471402369.db2.gz FWQVZPHZWBGRQU-ROUUACIJSA-N 0 0 328.320 2.755 50 0 EFAARN Cc1c([C@H](O)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000002159902 471402438 /nfs/dbraw/zinc/40/24/38/471402438.db2.gz CBWIRKNOTYTLFV-NSHDSACASA-N 0 0 335.618 2.888 50 0 EFAARN COc1cc(-c2oc3cc([O-])ccc3c(=O)c2O)cc(OC)c1OC ZINC000002146994 471402473 /nfs/dbraw/zinc/40/24/73/471402473.db2.gz NJNGYVOYOVPWBB-UHFFFAOYSA-N 0 0 344.319 2.897 50 0 EFAARN CCc1cc(=O)oc2cc(OC(=O)CNC(=O)OC(C)(C)C)ccc12 ZINC000002151781 471402570 /nfs/dbraw/zinc/40/25/70/471402570.db2.gz QVDKANKUPQBFAV-UHFFFAOYSA-N 0 0 347.367 2.786 50 0 biogenic EFAARN CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 ZINC000002145652 471402875 /nfs/dbraw/zinc/40/28/75/471402875.db2.gz PGXMGARYMQEPQY-NHAYFPRASA-N 0 0 341.407 2.625 50 0 biogenic EFAARN CC(C)Cc1nc2oc3c(ncnc3N(C)CCO)c2c2c1CCC2 ZINC000002200247 471403672 /nfs/dbraw/zinc/40/36/72/471403672.db2.gz IHBCXTZRIMRSKF-UHFFFAOYSA-N 0 0 340.427 2.887 50 0 EFAARN CC(=O)c1c(COC(=O)c2ccc(F)cc2)nc2ccccc2[n+]1[O-] ZINC000002232203 471403990 /nfs/dbraw/zinc/40/39/90/471403990.db2.gz WIQXCNOWZYMPRQ-UHFFFAOYSA-N 0 0 340.310 2.567 50 0 EFAARN CCCCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C ZINC000002274246 471404165 /nfs/dbraw/zinc/40/41/65/471404165.db2.gz QZFLWUGSGBEFII-UHFFFAOYSA-N 0 0 342.159 2.889 50 0 EFAARN CCCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002327790 471405169 /nfs/dbraw/zinc/40/51/69/471405169.db2.gz CWJFSOVYMRLSLA-UHFFFAOYSA-N 0 0 329.429 2.748 50 0 EFAARN COc1ccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000002330890 471405498 /nfs/dbraw/zinc/40/54/98/471405498.db2.gz LEZMJMGYBFDCRT-UHFFFAOYSA-N 0 0 335.319 2.541 50 0 EFAARN O=S(=O)(NCCSc1nc2ccccc2o1)c1ccccc1 ZINC000002330167 471405674 /nfs/dbraw/zinc/40/56/74/471405674.db2.gz GTYXRBCWTYPUKD-UHFFFAOYSA-N 0 0 334.422 2.898 50 0 EFAARN CSc1nc2sc3c(c2c2nnc(C)c(=O)n12)CC(C)(C)OC3 ZINC000002294396 471405710 /nfs/dbraw/zinc/40/57/10/471405710.db2.gz FOKOFBLNEGHDBI-UHFFFAOYSA-N 0 0 348.453 2.581 50 0 EFAARN CCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc21 ZINC000002411313 471407367 /nfs/dbraw/zinc/40/73/67/471407367.db2.gz WLGQONIDBVHESO-UHFFFAOYSA-N 0 0 342.399 2.770 50 0 EFAARN O=C1CCCN1CCCNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000002417090 471407393 /nfs/dbraw/zinc/40/73/93/471407393.db2.gz AURQVAFHVHTTEQ-UHFFFAOYSA-N 0 0 327.363 2.675 50 0 EFAARN CCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 ZINC000002368928 471407400 /nfs/dbraw/zinc/40/74/00/471407400.db2.gz SQWHLLBDJFRSGC-UHFFFAOYSA-N 0 0 342.399 2.770 50 0 EFAARN CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 ZINC000002449986 471407998 /nfs/dbraw/zinc/40/79/98/471407998.db2.gz IYNGPCNCJVWMGA-UHFFFAOYSA-N 0 0 330.442 2.881 50 0 EFAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1c(OC)ccc2ccccc21 ZINC000002474205 471408367 /nfs/dbraw/zinc/40/83/67/471408367.db2.gz LODKNVKUFFFPNV-MRXNPFEDSA-N 0 0 342.420 2.814 50 0 EFAARN COCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002454562 471408602 /nfs/dbraw/zinc/40/86/02/471408602.db2.gz GAGNNYWHKIBVEU-CSODTCANSA-N 0 0 333.387 2.525 50 0 EFAARN COc1cc2c(cc1OC)CN(S(=O)(=O)c1cccs1)CC2 ZINC000002444244 471409001 /nfs/dbraw/zinc/40/90/01/471409001.db2.gz NWCSGEUAGRRBRR-UHFFFAOYSA-N 0 0 339.438 2.512 50 0 EFAARN CCCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1 ZINC000002500779 471410060 /nfs/dbraw/zinc/41/00/60/471410060.db2.gz ORKFNAZHTZLYLF-UHFFFAOYSA-N 0 0 331.397 2.847 50 0 EFAARN CCOC(=O)C(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl ZINC000002559828 471410917 /nfs/dbraw/zinc/41/09/17/471410917.db2.gz VRPNAVYQHJYROG-UHFFFAOYSA-N 0 0 339.697 2.964 50 0 EFAARN OCc1cn(-c2ccc(F)cc2)nc1-c1ccc2c(c1)OCCO2 ZINC000002544977 471411200 /nfs/dbraw/zinc/41/12/00/471411200.db2.gz YDAAQHUAVIPKIO-UHFFFAOYSA-N 0 0 326.327 2.942 50 0 EFAARN CCOC(=O)C(=CNc1cc(C)nc2ccccc21)C(=O)OCC ZINC000002562084 471411772 /nfs/dbraw/zinc/41/17/72/471411772.db2.gz KETMARNSRSOQQH-UHFFFAOYSA-N 0 0 328.368 2.965 50 0 EFAARN O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000002618527 471412614 /nfs/dbraw/zinc/41/26/14/471412614.db2.gz CRLIUYMWPDDIQA-UHFFFAOYSA-N 0 0 335.762 2.881 50 0 EFAARN Cc1ccc2c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)coc2c1 ZINC000002624887 471413351 /nfs/dbraw/zinc/41/33/51/471413351.db2.gz CPYWZNMSXUADJY-UHFFFAOYSA-N 0 0 344.392 2.570 50 0 EFAARN Oc1ccccc1OCCOCCOCCOc1ccccc1O ZINC000002689958 471416635 /nfs/dbraw/zinc/41/66/35/471416635.db2.gz XATAPWYLOXDSSI-UHFFFAOYSA-N 0 0 334.368 2.589 50 0 biogenic EFAARN Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1Cl ZINC000002660802 471416764 /nfs/dbraw/zinc/41/67/64/471416764.db2.gz QUNJNVBGHDHXIL-UHFFFAOYSA-N 0 0 349.818 2.842 50 0 EFAARN CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000002710998 471417333 /nfs/dbraw/zinc/41/73/33/471417333.db2.gz NGFKUGQBPWAUQH-GJZGRUSLSA-N 0 0 348.468 2.901 50 0 EFAARN O=C(Nc1nc2c(s1)CCCC2)[C@H]1Cc2ccccc2C(=O)O1 ZINC000002708361 471417501 /nfs/dbraw/zinc/41/75/01/471417501.db2.gz NJCHTEZLUGPJHS-CYBMUJFWSA-N 0 0 328.393 2.742 50 0 EFAARN CCCCc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)cc1 ZINC000002710850 471417706 /nfs/dbraw/zinc/41/77/06/471417706.db2.gz RQYOVYWGFHPCEK-CHWSQXEVSA-N 0 0 348.468 2.847 50 0 EFAARN COc1cc(NC(=O)c2c(Cl)cnn2C)c(OC)cc1Cl ZINC000002740680 471419224 /nfs/dbraw/zinc/41/92/24/471419224.db2.gz CSUMWQGUFDRUAR-UHFFFAOYSA-N 0 0 330.171 2.996 50 0 EFAARN CCc1c(C)sc2ncn3nc(CCn4cc(C)cn4)nc3c12 ZINC000002731296 471419233 /nfs/dbraw/zinc/41/92/33/471419233.db2.gz QYPZCVFWMXPBAY-UHFFFAOYSA-N 0 0 326.429 2.957 50 0 EFAARN Cc1occc1C(=O)NC1CCC(NC(=O)c2ccoc2C)CC1 ZINC000002753773 471419378 /nfs/dbraw/zinc/41/93/78/471419378.db2.gz HVQTWEXKWBVLHZ-UHFFFAOYSA-N 0 0 330.384 2.960 50 0 EFAARN Cc1cc(NC(=O)CCn2nc(C)c(Br)c2C)no1 ZINC000002780376 471420391 /nfs/dbraw/zinc/42/03/91/471420391.db2.gz BAEMPGZBUJWBEE-UHFFFAOYSA-N 0 0 327.182 2.588 50 0 EFAARN Cn1ccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)n1 ZINC000002769305 471420693 /nfs/dbraw/zinc/42/06/93/471420693.db2.gz UUYDJMFIGCFNAE-UHFFFAOYSA-N 0 0 333.754 2.710 50 0 EFAARN O=C(Nc1nccs1)c1ccn(COc2ccc(F)cc2F)n1 ZINC000002787290 471421696 /nfs/dbraw/zinc/42/16/96/471421696.db2.gz YCELOMQCPUWGMK-UHFFFAOYSA-N 0 0 336.323 2.907 50 0 EFAARN Cc1cc(C(F)F)nn1CC(=O)N[C@@H](Cn1cccn1)C(C)(C)C ZINC000002781112 471421807 /nfs/dbraw/zinc/42/18/07/471421807.db2.gz ADRBPBYCLUAAIN-ZDUSSCGKSA-N 0 0 339.390 2.557 50 0 EFAARN O=C(c1ccnn1COc1ccccc1Cl)N1CCSCC1 ZINC000002799949 471422199 /nfs/dbraw/zinc/42/21/99/471422199.db2.gz NRSXRTCZLLDZSW-UHFFFAOYSA-N 0 0 337.832 2.762 50 0 EFAARN Cc1c(CNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cnn1C ZINC000002804187 471422604 /nfs/dbraw/zinc/42/26/04/471422604.db2.gz FTFSZNLTSUVMOQ-ZDUSSCGKSA-N 0 0 330.432 2.798 50 0 EFAARN Cc1c(-c2ccnc3cc(C(=O)Nc4cccc(C)c4)nn32)cnn1C ZINC000002795641 471422840 /nfs/dbraw/zinc/42/28/40/471422840.db2.gz HOYUKMBLFSQQTK-UHFFFAOYSA-N 0 0 346.394 2.999 50 0 EFAARN CCn1cc(NC(=O)c2cccc(C)c2)c(C(=O)NCC(C)C)n1 ZINC000002800010 471422908 /nfs/dbraw/zinc/42/29/08/471422908.db2.gz WBCNGLOAMGQVKA-UHFFFAOYSA-N 0 0 328.416 2.850 50 0 EFAARN CCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000002837978 471423634 /nfs/dbraw/zinc/42/36/34/471423634.db2.gz KPTOQMWYZOYPOB-UHFFFAOYSA-N 0 0 346.452 2.793 50 0 EFAARN CCCCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccco1 ZINC000002814846 471423998 /nfs/dbraw/zinc/42/39/98/471423998.db2.gz VSHDYNFYXYPWSN-AMDPFGHHSA-N 0 0 328.368 2.959 50 0 EFAARN Cc1nn(C)cc1S(=O)(=O)N[C@H](C)c1cccc(-n2cccc2)c1 ZINC000002804716 471424110 /nfs/dbraw/zinc/42/41/10/471424110.db2.gz BHMSRZBYAGCTOE-CYBMUJFWSA-N 0 0 344.440 2.559 50 0 EFAARN COc1ccccc1CNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002824936 471424204 /nfs/dbraw/zinc/42/42/04/471424204.db2.gz IIAZXPFCQLEITK-UHFFFAOYSA-N 0 0 331.368 2.651 50 0 biogenic,in-vitro EFAARN O=Cc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc12 ZINC000002861622 471425609 /nfs/dbraw/zinc/42/56/09/471425609.db2.gz SYTKJLKBOAZZIE-UHFFFAOYSA-N 0 0 336.347 2.864 50 0 EFAARN O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000002874540 471426200 /nfs/dbraw/zinc/42/62/00/471426200.db2.gz OGQKFBLMVPJJHT-OAHLLOKOSA-N 0 0 344.436 2.726 50 0 EFAARN O=C(NCc1ccco1)C1CCC(C(=O)NCc2ccco2)CC1 ZINC000002885333 471427352 /nfs/dbraw/zinc/42/73/52/471427352.db2.gz TTYYPIFEVLMPHY-UHFFFAOYSA-N 0 0 330.384 2.612 50 0 EFAARN COc1ccccc1OCCSc1nnnn1-c1ccccc1 ZINC000002915064 471427893 /nfs/dbraw/zinc/42/78/93/471427893.db2.gz HIRAWTRTDOPAKJ-UHFFFAOYSA-N 0 0 328.397 2.842 50 0 EFAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nnnc3N2)cc1 ZINC000002914176 471428021 /nfs/dbraw/zinc/42/80/21/471428021.db2.gz CRPJKDQYYLILHB-CVEARBPZSA-N 0 0 325.347 2.967 50 0 EFAARN COCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002967108 471428508 /nfs/dbraw/zinc/42/85/08/471428508.db2.gz BNURWUDMZZATPM-UHFFFAOYSA-N 0 0 328.368 2.570 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 ZINC000002961240 471429322 /nfs/dbraw/zinc/42/93/22/471429322.db2.gz NKXDGOWDFKXFGK-UHFFFAOYSA-N 0 0 337.423 2.536 50 0 EFAARN COc1ccccc1OCCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002990076 471430749 /nfs/dbraw/zinc/43/07/49/471430749.db2.gz RNZQTROCVJBGDO-VQHVLOKHSA-N 0 0 341.363 2.632 50 0 EFAARN CC[C@H]1CCCCN1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000003071259 471431835 /nfs/dbraw/zinc/43/18/35/471431835.db2.gz YGENAYHMYZWMEL-AWEZNQCLSA-N 0 0 328.412 2.854 50 0 EFAARN CCCCN(C(C)=O)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000003100043 471432174 /nfs/dbraw/zinc/43/21/74/471432174.db2.gz MLXRCUATNFUBRA-OAHLLOKOSA-N 0 0 347.333 2.763 50 0 EFAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1 ZINC000003251881 471438201 /nfs/dbraw/zinc/43/82/01/471438201.db2.gz DDTSPHRSMQSOQH-UHFFFAOYSA-N 0 0 327.336 2.693 50 0 EFAARN COc1cc(NC(=O)COC(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000003510959 471449829 /nfs/dbraw/zinc/44/98/29/471449829.db2.gz SLJXQYLGLRNMDT-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000003512070 471450321 /nfs/dbraw/zinc/45/03/21/471450321.db2.gz KGUSQBXGXSIHOM-UHFFFAOYSA-N 0 0 347.754 2.907 50 0 EFAARN CSc1cccc(N2C(=O)c3ccccc3[C@]2(O)c2ncc[nH]2)c1 ZINC000003878196 471454981 /nfs/dbraw/zinc/45/49/81/471454981.db2.gz MXDOCYQRQJEZRR-SFHVURJKSA-N 0 0 337.404 2.985 50 0 EFAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073962 471458670 /nfs/dbraw/zinc/45/86/70/471458670.db2.gz UIMNEUMKZCLQFJ-QGBOAJIPSA-N 0 0 348.483 2.889 50 0 biogenic EFAARN Clc1ccc(N2CCN(c3ncnc4nc[nH]c43)CC2)cc1Cl ZINC000004032446 471458818 /nfs/dbraw/zinc/45/88/18/471458818.db2.gz QVBFELMJIOAJLK-UHFFFAOYSA-N 0 0 349.225 2.986 50 0 EFAARN CCOc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 ZINC000004188630 471461545 /nfs/dbraw/zinc/46/15/45/471461545.db2.gz JKCIQUHVYQXQNC-UHFFFAOYSA-N 0 0 342.468 2.999 50 0 EFAARN CSc1nnc(C)c(=O)n1COC(=O)c1ccc2ccccc2c1 ZINC000004495802 471467233 /nfs/dbraw/zinc/46/72/33/471467233.db2.gz JLABPNWFWZYTBD-UHFFFAOYSA-N 0 0 341.392 2.636 50 0 EFAARN NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000004550309 471468169 /nfs/dbraw/zinc/46/81/69/471468169.db2.gz POLZWKVSUAFAEY-UHFFFAOYSA-N 0 0 349.184 2.566 50 0 EFAARN COC(=O)C1=CN(C(C)(C)C)C=C(C(=O)OC)C1c1ccccc1 ZINC000004550469 471468207 /nfs/dbraw/zinc/46/82/07/471468207.db2.gz XLLDMXSGMSDTSN-UHFFFAOYSA-N 0 0 329.396 2.998 50 0 EFAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000004525907 471468214 /nfs/dbraw/zinc/46/82/14/471468214.db2.gz XJBKZNZGQKWZDF-CYBMUJFWSA-N 0 0 347.396 2.710 50 0 EFAARN COc1ccccc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000004688041 471471282 /nfs/dbraw/zinc/47/12/82/471471282.db2.gz FFQQPUIDIKZXNZ-UHFFFAOYSA-N 0 0 326.396 2.666 50 0 EFAARN Cc1cc(OCC(=O)N2CCN(c3ccccn3)CC2)ccc1Cl ZINC000004725337 471472257 /nfs/dbraw/zinc/47/22/57/471472257.db2.gz CJHOYKWCRXKTNB-UHFFFAOYSA-N 0 0 345.830 2.771 50 0 EFAARN CCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCOCC1 ZINC000004711551 471472777 /nfs/dbraw/zinc/47/27/77/471472777.db2.gz JSXWTOHAMHKJKH-UHFFFAOYSA-N 0 0 334.416 2.685 50 0 EFAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2cnccn2)C1 ZINC000004785024 471475529 /nfs/dbraw/zinc/47/55/29/471475529.db2.gz MZRGEBDFZRNVJQ-CQSZACIVSA-N 0 0 330.819 2.663 50 0 EFAARN CN(Cc1ccccc1)[C@]1(O)C(=O)Nc2c1cccc2C(F)(F)F ZINC000004843104 471476138 /nfs/dbraw/zinc/47/61/38/471476138.db2.gz ILAXXEBMOVOVQF-MRXNPFEDSA-N 0 0 336.313 2.935 50 0 EFAARN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2C)CC1 ZINC000004841007 471476435 /nfs/dbraw/zinc/47/64/35/471476435.db2.gz QUGMOSFNSHOGRC-UHFFFAOYSA-N 0 0 337.423 2.916 50 0 EFAARN COc1ccc2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc2c1 ZINC000004936765 471480519 /nfs/dbraw/zinc/48/05/19/471480519.db2.gz CSXOBPHJPCZKRL-UHFFFAOYSA-N 0 0 334.324 2.774 50 0 EFAARN CN1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000004988723 471481788 /nfs/dbraw/zinc/48/17/88/471481788.db2.gz UZYZOVPNRNRGIM-OZSKJFCKSA-N 0 0 348.450 2.687 50 0 EFAARN O=C1C[C@H](c2ccco2)Cc2nc3nc(-c4ccncc4)nn3cc21 ZINC000004992903 471482243 /nfs/dbraw/zinc/48/22/43/471482243.db2.gz NCTKYOSBOVIETP-GFCCVEGCSA-N 0 0 331.335 2.692 50 0 EFAARN Cc1ccc(Cn2cnc3c(nnn3-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000005057298 471485200 /nfs/dbraw/zinc/48/52/00/471485200.db2.gz HXJCOIXFADALOA-UHFFFAOYSA-N 0 0 345.406 2.951 50 0 EFAARN O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000005071345 471485546 /nfs/dbraw/zinc/48/55/46/471485546.db2.gz MPLITBVHNRDPGY-MRXNPFEDSA-N 0 0 349.358 2.922 50 0 EFAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000005136732 471488394 /nfs/dbraw/zinc/48/83/94/471488394.db2.gz RUXLWEQBEPFOCY-UHFFFAOYSA-N 0 0 348.399 2.790 50 0 EFAARN COc1ccc2[nH]c(C)c(C(=O)CN3CCCC[C@@H]3CCO)c2c1 ZINC000005188538 471490111 /nfs/dbraw/zinc/49/01/11/471490111.db2.gz URZKWOZFQBCOKZ-CQSZACIVSA-N 0 0 330.428 2.905 50 0 EFAARN Cc1nc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cs1 ZINC000005183535 471490275 /nfs/dbraw/zinc/49/02/75/471490275.db2.gz JNAGTFZMIASQEG-QMMMGPOBSA-N 0 0 349.481 2.918 50 0 EFAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccccn1 ZINC000005204930 471491290 /nfs/dbraw/zinc/49/12/90/471491290.db2.gz IVWZDIZGEIFDNR-UHFFFAOYSA-N 0 0 336.395 2.991 50 0 EFAARN C[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 ZINC000005195367 471491837 /nfs/dbraw/zinc/49/18/37/471491837.db2.gz MOSXDXXSANNQMD-GXTWGEPZSA-N 0 0 335.835 2.887 50 0 EFAARN Cc1c(C)c(=O)oc2cc(OCC(=O)NCc3ccccn3)ccc12 ZINC000005203377 471492024 /nfs/dbraw/zinc/49/20/24/471492024.db2.gz RBYTWRRXEXKVFL-UHFFFAOYSA-N 0 0 338.363 2.500 50 0 EFAARN Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000005219343 471492993 /nfs/dbraw/zinc/49/29/93/471492993.db2.gz JMQFNKOUUNWUIL-CQSZACIVSA-N 0 0 344.440 2.759 50 0 EFAARN COc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000005251344 471495302 /nfs/dbraw/zinc/49/53/02/471495302.db2.gz QLEKYWNTYPDHAJ-UHFFFAOYSA-N 0 0 332.787 2.912 50 0 EFAARN O=C1C(=CNc2ccc(F)cc2)[S@@](=O)CN1c1ccc(F)cc1 ZINC000005253147 471495642 /nfs/dbraw/zinc/49/56/42/471495642.db2.gz JCBKPAVHQFMAHY-DDCFWYMVSA-N 0 0 334.347 2.971 50 0 EFAARN Cc1cc(OCC(=O)NCc2cccnc2)c2c(C)cc(=O)oc2c1 ZINC000005267374 471496203 /nfs/dbraw/zinc/49/62/03/471496203.db2.gz COFPQYXZVZBUJD-UHFFFAOYSA-N 0 0 338.363 2.500 50 0 EFAARN CCn1cc(NC(=O)NCCCN2CCCC2=O)c2ccccc21 ZINC000005266083 471496772 /nfs/dbraw/zinc/49/67/72/471496772.db2.gz VMKPHFJBFNWRRJ-UHFFFAOYSA-N 0 0 328.416 2.795 50 0 EFAARN Cc1c(NC(=O)NC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000005276839 471497636 /nfs/dbraw/zinc/49/76/36/471497636.db2.gz XTTYFWTZDCWOAM-UHFFFAOYSA-N 0 0 328.416 2.939 50 0 EFAARN O=C(Nc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000005298792 471498784 /nfs/dbraw/zinc/49/87/84/471498784.db2.gz TZKKTJLHJHAVMW-CYBMUJFWSA-N 0 0 336.438 2.540 50 0 EFAARN CC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000005328999 471499820 /nfs/dbraw/zinc/49/98/20/471499820.db2.gz HYJMEUSZZROQQR-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN CCOC(=O)c1cnc(SC)nc1Sc1nnc(C)s1 ZINC000005334104 471500047 /nfs/dbraw/zinc/50/00/47/471500047.db2.gz JJNATWJCLNWULF-UHFFFAOYSA-N 0 0 328.444 2.686 50 0 EFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccc(F)c1 ZINC000005339273 471500129 /nfs/dbraw/zinc/50/01/29/471500129.db2.gz OXXVZRHXDVTKBC-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1)CC2 ZINC000005346677 471501073 /nfs/dbraw/zinc/50/10/73/471501073.db2.gz FRGRYWHMHSZDDO-UHFFFAOYSA-N 0 0 326.396 2.701 50 0 biogenic EFAARN CCOC(=O)CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005373898 471502089 /nfs/dbraw/zinc/50/20/89/471502089.db2.gz UADPTVZWHQJYDH-UHFFFAOYSA-N 0 0 344.411 2.658 50 0 EFAARN Cc1ccnc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000005381133 471502190 /nfs/dbraw/zinc/50/21/90/471502190.db2.gz WZIBZNHPCFMXHG-UHFFFAOYSA-N 0 0 345.424 2.572 50 0 EFAARN CCOc1ccccc1NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000005388203 471502465 /nfs/dbraw/zinc/50/24/65/471502465.db2.gz ARZRTHWPMRGUES-UHFFFAOYSA-N 0 0 349.390 2.948 50 0 EFAARN O=C(Cn1nc(-c2cccc3ccccc32)ccc1=O)N1CCCC1 ZINC000005399801 471503451 /nfs/dbraw/zinc/50/34/51/471503451.db2.gz SLURPTJHJMBYEU-UHFFFAOYSA-N 0 0 333.391 2.686 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)cc1 ZINC000005396603 471503679 /nfs/dbraw/zinc/50/36/79/471503679.db2.gz RDCHNZPLONAACK-UHFFFAOYSA-N 0 0 337.354 2.997 50 0 EFAARN COc1cc(Nc2ncnc3c2cnn3C)ccc1NC(=O)C(C)C ZINC000005421833 471504084 /nfs/dbraw/zinc/50/40/84/471504084.db2.gz QVVXOEMIOJSEEO-UHFFFAOYSA-N 0 0 340.387 2.710 50 0 EFAARN CCOc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCc1ccccc1 ZINC000005427810 471504559 /nfs/dbraw/zinc/50/45/59/471504559.db2.gz LXSSVNUPNQDONN-LJQANCHMSA-N 0 0 338.407 2.852 50 0 EFAARN COc1cccc(C(=O)OCC(=O)NCc2ccccc2Cl)c1 ZINC000005470959 471508381 /nfs/dbraw/zinc/50/83/81/471508381.db2.gz BYHOMMTYSASNIH-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN CCCCOCCCNC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000005562275 471511201 /nfs/dbraw/zinc/51/12/01/471511201.db2.gz GXPGYSKEGZJNIL-YJBOKZPZSA-N 0 0 348.468 2.579 50 0 EFAARN CC(C)(C)c1ccc(OC[C@H](O)C[S@](=O)c2ccccn2)cc1 ZINC000005563104 471511306 /nfs/dbraw/zinc/51/13/06/471511306.db2.gz LJMQGOKEKNJUKB-NPMXOYFQSA-N 0 0 333.453 2.927 50 0 EFAARN CC(C)C[C@H](N)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000005556456 471511522 /nfs/dbraw/zinc/51/15/22/471511522.db2.gz YGHRFBCEZSBPAV-LBPRGKRZSA-N 0 0 343.836 2.743 50 0 EFAARN O=C1N/C(=N/S(=O)(=O)c2ccccc2)S/C1=C/c1ccccc1 ZINC000005595373 471512642 /nfs/dbraw/zinc/51/26/42/471512642.db2.gz POTZMVXWUNQSDW-SDNWHVSQSA-N 0 0 344.417 2.635 50 0 EFAARN COc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)OC(C)C)cc1 ZINC000005633300 471514792 /nfs/dbraw/zinc/51/47/92/471514792.db2.gz YFQCOQCXJITRBD-IRXDYDNUSA-N 0 0 331.412 2.845 50 0 EFAARN COC(=O)C[C@H](NC(=O)c1cccs1)c1ccc(OC)c(OC)c1 ZINC000005661909 471514880 /nfs/dbraw/zinc/51/48/80/471514880.db2.gz BSKHUGUNPZKGLO-LBPRGKRZSA-N 0 0 349.408 2.800 50 0 EFAARN O=[S@](CCSc1nnnn1-c1ccccc1)c1ccccc1 ZINC000005685253 471515668 /nfs/dbraw/zinc/51/56/68/471515668.db2.gz VERFHMBIBYCBFQ-QFIPXVFZSA-N 0 0 330.438 2.562 50 0 EFAARN COC(=O)c1ccc(NC(=O)CSc2nnc(CC(C)C)[nH]2)cc1 ZINC000005685988 471516574 /nfs/dbraw/zinc/51/65/74/471516574.db2.gz JQZYDFQNDOOZLJ-UHFFFAOYSA-N 0 0 348.428 2.521 50 0 EFAARN CN(C(=O)CSc1nnc(-c2ccco2)n1C)C1CCCCC1 ZINC000005864881 471524266 /nfs/dbraw/zinc/52/42/66/471524266.db2.gz IADQOXUFDBUAHC-UHFFFAOYSA-N 0 0 334.445 2.958 50 0 EFAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC[C@@H]1CCCO1 ZINC000005928506 471525323 /nfs/dbraw/zinc/52/53/23/471525323.db2.gz QBNLMXQRPLAJKP-JTQLQIEISA-N 0 0 325.821 2.604 50 0 EFAARN C[C@H](Oc1ccc2c(c1)OCO2)c1n[nH]c(=S)n1C[C@H]1CCCO1 ZINC000006007609 471528769 /nfs/dbraw/zinc/52/87/69/471528769.db2.gz DEQBAKNAIBEMMM-CMPLNLGQSA-N 0 0 349.412 2.988 50 0 EFAARN CCCOc1cccc(C(=O)NC(=S)NCc2cccnc2)c1 ZINC000006026312 471529916 /nfs/dbraw/zinc/52/99/16/471529916.db2.gz DLCPICSZIDPIHA-UHFFFAOYSA-N 0 0 329.425 2.675 50 0 EFAARN O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1 ZINC000006110433 471532102 /nfs/dbraw/zinc/53/21/02/471532102.db2.gz BYSMOZXJNKBUAF-UHFFFAOYSA-N 0 0 348.406 2.956 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O ZINC000006230768 471536723 /nfs/dbraw/zinc/53/67/23/471536723.db2.gz XIJMHBYGYBQXJK-UHFFFAOYSA-N 0 0 335.772 2.670 50 0 EFAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc2ccccc21 ZINC000006238012 471537403 /nfs/dbraw/zinc/53/74/03/471537403.db2.gz PSQNHABCWJGTNB-UHFFFAOYSA-N 0 0 337.379 2.847 50 0 EFAARN CCc1c(C)sc(NC(=S)NCc2cc[nH]n2)c1C(=O)OC ZINC000006294620 471538944 /nfs/dbraw/zinc/53/89/44/471538944.db2.gz QPQJSDLKKKKOQI-UHFFFAOYSA-N 0 0 338.458 2.615 50 0 EFAARN COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000006300461 471539334 /nfs/dbraw/zinc/53/93/34/471539334.db2.gz DEARYGROLGCLDT-UHFFFAOYSA-N 0 0 347.436 2.980 50 0 EFAARN O=C(CSc1ncccn1)NCc1cccc(C(F)(F)F)c1 ZINC000006321486 471541111 /nfs/dbraw/zinc/54/11/11/471541111.db2.gz MXGCSXCNQICVLG-UHFFFAOYSA-N 0 0 327.331 2.904 50 0 EFAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)N1CCCCCC1 ZINC000006493994 471546797 /nfs/dbraw/zinc/54/67/97/471546797.db2.gz ZSYPPCPPKGWOFK-UHFFFAOYSA-N 0 0 343.452 2.932 50 0 EFAARN O=C(CSC1=N[C@H](c2ccccc2)CC(=O)N1)NC1CCCCC1 ZINC000006530090 471549475 /nfs/dbraw/zinc/54/94/75/471549475.db2.gz QAIBVZGSWCBWKD-HNNXBMFYSA-N 0 0 345.468 2.786 50 0 EFAARN CN(C)c1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 ZINC000006533418 471549587 /nfs/dbraw/zinc/54/95/87/471549587.db2.gz ZEKFJYICTKACJB-UHFFFAOYSA-N 0 0 334.322 2.826 50 0 EFAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1OC ZINC000006607056 471553968 /nfs/dbraw/zinc/55/39/68/471553968.db2.gz WVSMOHWRSYLVPW-UHFFFAOYSA-N 0 0 347.342 2.947 50 0 EFAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@@H](C)O)c(C)c21 ZINC000006624516 471554888 /nfs/dbraw/zinc/55/48/88/471554888.db2.gz BFZQICWYVBFIEW-LLVKDONJSA-N 0 0 343.379 2.504 50 0 biogenic EFAARN COC(=O)c1c2c(sc1NC(=O)NCc1ccccn1)CCC2 ZINC000006661331 471557093 /nfs/dbraw/zinc/55/70/93/471557093.db2.gz BDEUYLUSLUZYJQ-UHFFFAOYSA-N 0 0 331.397 2.740 50 0 EFAARN Cc1ccc(C)c(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1 ZINC000006661238 471557773 /nfs/dbraw/zinc/55/77/73/471557773.db2.gz XZYOEZVPEKCDRQ-UHFFFAOYSA-N 0 0 325.347 2.735 50 0 EFAARN CCCC(=O)Nc1ccc2c(c1)nc(CCn1ccccc1=O)n2C ZINC000006665116 471558594 /nfs/dbraw/zinc/55/85/94/471558594.db2.gz LBCQBHPQXCCYKO-UHFFFAOYSA-N 0 0 338.411 2.716 50 0 EFAARN COC(=O)c1ccc(OC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000006662103 471558637 /nfs/dbraw/zinc/55/86/37/471558637.db2.gz HUGDFPSVKAJAAF-UHFFFAOYSA-N 0 0 338.772 2.858 50 0 EFAARN CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1ccc(OC)cc1 ZINC000006668884 471558709 /nfs/dbraw/zinc/55/87/09/471558709.db2.gz HQBZOAOEPJCIJX-LJQANCHMSA-N 0 0 338.407 2.982 50 0 EFAARN O=C(CSc1nc2ccccc2c2nnnn21)c1ccc(F)cc1 ZINC000006668255 471558789 /nfs/dbraw/zinc/55/87/89/471558789.db2.gz YUOMDCRSTMKYJE-UHFFFAOYSA-N 0 0 339.355 2.787 50 0 EFAARN CCOc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccc(F)cc1 ZINC000006669355 471558939 /nfs/dbraw/zinc/55/89/39/471558939.db2.gz MIRCQSFMZSBWCS-SFHVURJKSA-N 0 0 342.370 2.948 50 0 EFAARN COc1cccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)c1 ZINC000006697209 471560007 /nfs/dbraw/zinc/56/00/07/471560007.db2.gz APZQXAIPYKTXBN-UHFFFAOYSA-N 0 0 335.319 2.541 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Br)c1 ZINC000006701038 471560502 /nfs/dbraw/zinc/56/05/02/471560502.db2.gz MUCDVANSHWSJBX-UHFFFAOYSA-N 0 0 347.168 2.996 50 0 EFAARN O=c1[nH]nc(SCc2cccc3nsnc32)n1-c1ccccc1 ZINC000006701190 471560551 /nfs/dbraw/zinc/56/05/51/471560551.db2.gz UYVUEPKDFLGCMV-UHFFFAOYSA-N 0 0 341.421 2.858 50 0 EFAARN CCCc1nnc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)s1 ZINC000006701811 471560848 /nfs/dbraw/zinc/56/08/48/471560848.db2.gz HHKKLGSUKWMCEO-UHFFFAOYSA-N 0 0 348.819 2.977 50 0 EFAARN Cc1c(NC(=O)Cc2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000006700202 471560854 /nfs/dbraw/zinc/56/08/54/471560854.db2.gz MJYBTPQUGCGIJP-UHFFFAOYSA-N 0 0 335.407 2.974 50 0 EFAARN Cc1nc2ccccc2n1Cc1nnc2sc(-c3ccncc3)nn12 ZINC000006700563 471560907 /nfs/dbraw/zinc/56/09/07/471560907.db2.gz KNBIUJZDDPYULS-UHFFFAOYSA-N 0 0 347.407 2.954 50 0 EFAARN CCn1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)n1 ZINC000006699124 471561004 /nfs/dbraw/zinc/56/10/04/471561004.db2.gz BNPGEUNPFTVZAK-UHFFFAOYSA-N 0 0 329.385 2.682 50 0 EFAARN C[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000006719547 471562081 /nfs/dbraw/zinc/56/20/81/471562081.db2.gz UAIUVRZCQXCILL-NSHDSACASA-N 0 0 343.766 2.973 50 0 EFAARN CC(C)Oc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000006704537 471562350 /nfs/dbraw/zinc/56/23/50/471562350.db2.gz DAGCATNELFLIQA-UHFFFAOYSA-N 0 0 325.412 2.831 50 0 EFAARN Cc1ccc2c(c1)oc(Br)c2CC(=O)N1CCOCC1 ZINC000006704118 471562457 /nfs/dbraw/zinc/56/24/57/471562457.db2.gz VGNNDBPCQDAUCQ-UHFFFAOYSA-N 0 0 338.201 2.905 50 0 EFAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000006703612 471562516 /nfs/dbraw/zinc/56/25/16/471562516.db2.gz JYVDZHPZGIBZAB-INIZCTEOSA-N 0 0 332.425 2.628 50 0 EFAARN Cc1cc2c(c(Br)c1)NC(=O)[C@@]2(O)N1CCC[C@H](C)C1 ZINC000006721018 471562931 /nfs/dbraw/zinc/56/29/31/471562931.db2.gz XGPJWGZOPHUJPO-BJOHPYRUSA-N 0 0 339.233 2.587 50 0 EFAARN CC(=O)N1CCC(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000006725632 471563142 /nfs/dbraw/zinc/56/31/42/471563142.db2.gz IGGNMQVJBWJADY-UHFFFAOYSA-N 0 0 329.227 2.868 50 0 EFAARN CC1=C(C)C[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H](C(=O)[O-])C1 ZINC000006730799 471563454 /nfs/dbraw/zinc/56/34/54/471563454.db2.gz QEHGVXFCXMMLRQ-ZWKOTPCHSA-N 0 0 348.487 2.911 50 0 EFAARN Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccco1 ZINC000006725774 471563563 /nfs/dbraw/zinc/56/35/63/471563563.db2.gz IMHGSXFTXSTFFT-UHFFFAOYSA-N 0 0 349.803 2.854 50 0 EFAARN CCCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000006741718 471564297 /nfs/dbraw/zinc/56/42/97/471564297.db2.gz OXGPOJFZADDQJT-UHFFFAOYSA-N 0 0 339.457 2.557 50 0 EFAARN COc1cccc(CNCc2ccccc2Cl)c1OCC(N)=O ZINC000006744566 471565338 /nfs/dbraw/zinc/56/53/38/471565338.db2.gz YEDZQMGKQUWVSI-UHFFFAOYSA-N 0 0 334.803 2.503 50 0 EFAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Oc2ccc(Cl)cc2)C1 ZINC000006745960 471565774 /nfs/dbraw/zinc/56/57/74/471565774.db2.gz SGFKWWXGHHIVSD-GFCCVEGCSA-N 0 0 345.848 2.697 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000006747480 471565808 /nfs/dbraw/zinc/56/58/08/471565808.db2.gz 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/nfs/dbraw/zinc/57/98/35/471579835.db2.gz BPSHAEXCHQHEDS-UHFFFAOYSA-N 0 0 330.818 2.562 50 0 EFAARN COC(=O)c1cccc(OCC(=O)Nc2cc(OC)ccc2OC)c1 ZINC000007030532 471585592 /nfs/dbraw/zinc/58/55/92/471585592.db2.gz XDEZVQAMBTVKNO-UHFFFAOYSA-N 0 0 345.351 2.508 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F ZINC000007131011 471593357 /nfs/dbraw/zinc/59/33/57/471593357.db2.gz HRBDEALZRFLKCR-UHFFFAOYSA-N 0 0 332.350 2.936 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000007149835 471594412 /nfs/dbraw/zinc/59/44/12/471594412.db2.gz IHAPQTSCBXAGHG-UHFFFAOYSA-N 0 0 332.350 2.936 50 0 EFAARN COc1ccc(-c2csc(NC(=O)CSc3cn[nH]n3)n2)cc1 ZINC000007344188 471606469 /nfs/dbraw/zinc/60/64/69/471606469.db2.gz LENILQRNUGWLMV-UHFFFAOYSA-N 0 0 347.425 2.668 50 0 EFAARN COCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000007381322 471609655 /nfs/dbraw/zinc/60/96/55/471609655.db2.gz OXKIVIGLGIQQGG-UHFFFAOYSA-N 0 0 328.387 2.935 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(Cl)c1 ZINC000007389600 471611237 /nfs/dbraw/zinc/61/12/37/471611237.db2.gz PWQQPJGWHMMHEO-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000007398714 471612210 /nfs/dbraw/zinc/61/22/10/471612210.db2.gz MZEFIQNXORTDQP-CYBMUJFWSA-N 0 0 330.334 2.634 50 0 EFAARN CCCN(CCC)C(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC ZINC000007457568 471615580 /nfs/dbraw/zinc/61/55/80/471615580.db2.gz PAAKKIVVKMOWDH-UHFFFAOYSA-N 0 0 343.427 2.812 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000007599069 471623552 /nfs/dbraw/zinc/62/35/52/471623552.db2.gz TZOUJSNVPBFBFF-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN CCc1ccc(S(=O)(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000007595525 471623650 /nfs/dbraw/zinc/62/36/50/471623650.db2.gz RADMIKNHHKPYCN-HNNXBMFYSA-N 0 0 339.457 2.603 50 0 EFAARN COc1cc(S(=O)(=O)NCCc2ccccc2)ccc1Cl ZINC000007616220 471624436 /nfs/dbraw/zinc/62/44/36/471624436.db2.gz VMNFJCPSBHZHNU-UHFFFAOYSA-N 0 0 325.817 2.870 50 0 EFAARN C[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1ccccc1 ZINC000007608583 471624827 /nfs/dbraw/zinc/62/48/27/471624827.db2.gz RTQDFDIZOAIHFQ-ZDUSSCGKSA-N 0 0 333.391 2.834 50 0 biogenic EFAARN CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1OCC ZINC000007616274 471624938 /nfs/dbraw/zinc/62/49/38/471624938.db2.gz HLNKFQQMXRIAEU-UHFFFAOYSA-N 0 0 335.425 2.963 50 0 EFAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1 ZINC000007652003 471627049 /nfs/dbraw/zinc/62/70/49/471627049.db2.gz FGDCIWQBQKZDBM-UHFFFAOYSA-N 0 0 336.388 2.637 50 0 EFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2s1 ZINC000007725291 471633320 /nfs/dbraw/zinc/63/33/20/471633320.db2.gz PJWWJVNZSUHIBF-UHFFFAOYSA-N 0 0 336.376 2.714 50 0 EFAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000007751623 471634717 /nfs/dbraw/zinc/63/47/17/471634717.db2.gz HRBCNGNFYJRUFA-UHFFFAOYSA-N 0 0 326.371 2.991 50 0 EFAARN CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000007871635 471644100 /nfs/dbraw/zinc/64/41/00/471644100.db2.gz AKHIRNGNFCIBMP-UHFFFAOYSA-N 0 0 333.391 2.768 50 0 EFAARN COc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 ZINC000007871186 471644629 /nfs/dbraw/zinc/64/46/29/471644629.db2.gz SBDJKVYUQKBPLW-GDBMZVCRSA-N 0 0 338.407 2.926 50 0 EFAARN O=C(Nc1ccncc1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000008048365 471658831 /nfs/dbraw/zinc/65/88/31/471658831.db2.gz AIGDIZXPSSSIGE-UHFFFAOYSA-N 0 0 345.424 2.555 50 0 EFAARN CC(C)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 ZINC000008212187 471672045 /nfs/dbraw/zinc/67/20/45/471672045.db2.gz PVKZXRTUXLIDFM-UHFFFAOYSA-N 0 0 332.429 2.761 50 0 EFAARN COc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c(OC)c1 ZINC000008217413 471673217 /nfs/dbraw/zinc/67/32/17/471673217.db2.gz HLKYDXHNGBSYEC-CYBMUJFWSA-N 0 0 346.427 2.506 50 0 EFAARN CCC(C)(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 ZINC000008234427 471673838 /nfs/dbraw/zinc/67/38/38/471673838.db2.gz LWWAKNMRDVFZPR-JTQLQIEISA-N 0 0 338.477 2.811 50 0 EFAARN Cc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1Cl ZINC000008240404 471674154 /nfs/dbraw/zinc/67/41/54/471674154.db2.gz MTXWTFDAZOSJFY-UHFFFAOYSA-N 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471825145 /nfs/dbraw/zinc/82/51/45/471825145.db2.gz ZBODOXKLLIQKKJ-UHFFFAOYSA-N 0 0 334.397 2.818 50 0 EFAARN CCc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000013327285 471826261 /nfs/dbraw/zinc/82/62/61/471826261.db2.gz ULFSPSLSODRFEE-UHFFFAOYSA-N 0 0 333.413 2.837 50 0 EFAARN CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC2(CC1)OCCO2 ZINC000013327347 471826425 /nfs/dbraw/zinc/82/64/25/471826425.db2.gz LFMWTAZSFLLYQL-UHFFFAOYSA-N 0 0 345.439 2.698 50 0 EFAARN CCn1nnc2c1ncnc2SCC(=O)Nc1cccc(Cl)c1 ZINC000013532106 471832179 /nfs/dbraw/zinc/83/21/79/471832179.db2.gz IXZZEOFGDZKWBF-UHFFFAOYSA-N 0 0 348.819 2.625 50 0 EFAARN C[C@H](Sc1ncnc2[nH]cnc21)C(=O)NCc1cccc(Cl)c1 ZINC000013548569 471832258 /nfs/dbraw/zinc/83/22/58/471832258.db2.gz MLWMSYRIXHDADU-VIFPVBQESA-N 0 0 347.831 2.803 50 0 EFAARN CCOc1ccc(N2C[C@@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CC2=O)cc1 ZINC000013517686 471832713 /nfs/dbraw/zinc/83/27/13/471832713.db2.gz PPIZNSGJDXBZAA-XHSDSOJGSA-N 0 0 344.455 2.943 50 0 EFAARN Cc1ccc(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000013547828 471832840 /nfs/dbraw/zinc/83/28/40/471832840.db2.gz UKIZFKIUWIDOPE-LFIBNONCSA-N 0 0 333.416 2.983 50 0 EFAARN COc1cccc(-c2nc(C(=O)NC3CC3)nn2-c2ccccc2)c1 ZINC000013568907 471833661 /nfs/dbraw/zinc/83/36/61/471833661.db2.gz RRRFGGDDVBYVBS-UHFFFAOYSA-N 0 0 334.379 2.835 50 0 EFAARN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2F)CC1 ZINC000013582467 471833683 /nfs/dbraw/zinc/83/36/83/471833683.db2.gz UYKSABRESSNOPD-UHFFFAOYSA-N 0 0 342.370 2.559 50 0 EFAARN COc1ccc(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)cc1 ZINC000013576286 471833804 /nfs/dbraw/zinc/83/38/04/471833804.db2.gz GPDTZRRKKHRKJG-OAHLLOKOSA-N 0 0 328.393 2.702 50 0 EFAARN C[C@H](Sc1ncnc2[nH]cnc21)C(=O)NCc1ccc(Cl)cc1 ZINC000013570375 471833976 /nfs/dbraw/zinc/83/39/76/471833976.db2.gz FMFAFMZRPXXRSB-VIFPVBQESA-N 0 0 347.831 2.803 50 0 EFAARN Cc1ccc(-n2cc(S(=O)(=O)c3ccc(C)cc3)[nH]c2=O)cc1 ZINC000013597137 471834634 /nfs/dbraw/zinc/83/46/34/471834634.db2.gz ZPLBUJLDVYJVNU-UHFFFAOYSA-N 0 0 328.393 2.615 50 0 EFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCCC3)cc2O1 ZINC000013629440 471834729 /nfs/dbraw/zinc/83/47/29/471834729.db2.gz FHQVJYBAWSGIJK-UHFFFAOYSA-N 0 0 333.384 2.527 50 0 EFAARN O=C1OC=C2Nc3cc4c(cc3[C@H](c3ccc(F)cc3)C12)OCO4 ZINC000013598767 471834988 /nfs/dbraw/zinc/83/49/88/471834988.db2.gz BOVAFWYGUCKIPR-INIZCTEOSA-N 0 0 325.295 2.923 50 0 EFAARN Cc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2ccc(C)cc12 ZINC000013641148 471835734 /nfs/dbraw/zinc/83/57/34/471835734.db2.gz FHZLKXFQLJGXPI-UHFFFAOYSA-N 0 0 333.413 2.602 50 0 EFAARN COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1OC ZINC000013632362 471836279 /nfs/dbraw/zinc/83/62/79/471836279.db2.gz SGDQBGDGBDSBJJ-UHFFFAOYSA-N 0 0 335.425 2.615 50 0 EFAARN CCOC(=O)c1c(C)c(C)sc1NC(=S)N1CCOCC1 ZINC000013658533 471836526 /nfs/dbraw/zinc/83/65/26/471836526.db2.gz WMSYFQQCBARZPX-UHFFFAOYSA-N 0 0 328.459 2.571 50 0 EFAARN COC(=O)c1cc(-c2ccccc2)nc2c(Br)cnn21 ZINC000013645726 471836666 /nfs/dbraw/zinc/83/66/66/471836666.db2.gz OVGGJSVVYAUGAT-UHFFFAOYSA-N 0 0 332.157 2.945 50 0 EFAARN CCN(c1ccc(C(=O)Nc2cccc(OC)c2)cc1)S(C)(=O)=O ZINC000013678407 471837409 /nfs/dbraw/zinc/83/74/09/471837409.db2.gz BQIMQKMRZMBDEO-UHFFFAOYSA-N 0 0 348.424 2.733 50 0 EFAARN CCOc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000013672664 471837804 /nfs/dbraw/zinc/83/78/04/471837804.db2.gz WQNLVCDOGIOTJV-UHFFFAOYSA-N 0 0 334.397 2.845 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccnc(Cl)c1 ZINC000013683927 471838150 /nfs/dbraw/zinc/83/81/50/471838150.db2.gz LLEKHXJKCYSIFQ-UHFFFAOYSA-N 0 0 342.786 2.514 50 0 EFAARN CCCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc3ccccc31)C(=O)N2 ZINC000013693729 471838562 /nfs/dbraw/zinc/83/85/62/471838562.db2.gz NIEONPSNAUDNNB-HNNXBMFYSA-N 0 0 349.394 2.906 50 0 EFAARN Oc1ccccc1C1N=NC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013689846 471838960 /nfs/dbraw/zinc/83/89/60/471838960.db2.gz LAMLRUWKJDJKTH-UHFFFAOYSA-N 0 0 327.365 2.716 50 0 EFAARN O=C(COc1ccccc1F)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000013715996 471839909 /nfs/dbraw/zinc/83/99/09/471839909.db2.gz 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CCCCN(C)C(=O)Cn1c(=O)cc(C)nc1-c1ccc(F)cc1 ZINC000057522269 472447618 /nfs/dbraw/zinc/44/76/18/472447618.db2.gz UVNVSGDMDUXEHU-UHFFFAOYSA-N 0 0 331.391 2.616 50 0 EFAARN CCCCN(C)C(=O)Cn1c(=O)cc(CC)nc1-c1ccc(F)cc1 ZINC000057508605 472447777 /nfs/dbraw/zinc/44/77/77/472447777.db2.gz MJUFZHIKUYNNTI-UHFFFAOYSA-N 0 0 345.418 2.870 50 0 EFAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2ccncc2)CC1 ZINC000032624229 472447864 /nfs/dbraw/zinc/44/78/64/472447864.db2.gz GXPVYUVWFOIHDR-UHFFFAOYSA-N 0 0 348.406 2.695 50 0 EFAARN Cc1cc(=O)n(CC(=O)NC2CCCC2)c(-c2cccc(Cl)c2)n1 ZINC000057526727 472448715 /nfs/dbraw/zinc/44/87/15/472448715.db2.gz KHDUNYAFEQNGQU-UHFFFAOYSA-N 0 0 345.830 2.931 50 0 EFAARN Cc1ccc(CNC(=O)Cn2c(=O)cc(C)nc2-c2ccccc2)cc1 ZINC000057526368 472449069 /nfs/dbraw/zinc/44/90/69/472449069.db2.gz UOGQIFLYTJOCCC-UHFFFAOYSA-N 0 0 347.418 2.844 50 0 EFAARN Cc1nnsc1C(=O)NCC[C@@H](O)c1cccc2ccccc21 ZINC000077116409 472454741 /nfs/dbraw/zinc/45/47/41/472454741.db2.gz DAKCMHASAVSVKI-OAHLLOKOSA-N 0 0 327.409 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c1csc([C@@H]2CN(Cc3nnc(-c4ccccc4)o3)CCO2)n1 ZINC000097203909 472481201 /nfs/dbraw/zinc/48/12/01/472481201.db2.gz ALWAVQQBCHDAMP-ZDUSSCGKSA-N 0 0 328.397 2.767 50 0 EFAARN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nnnn32)o1 ZINC000045896170 472482469 /nfs/dbraw/zinc/48/24/69/472482469.db2.gz YWVHUCZBXBMOBD-OAHLLOKOSA-N 0 0 343.387 2.739 50 0 EFAARN Nc1cc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)ccn1 ZINC000077285250 472493788 /nfs/dbraw/zinc/49/37/88/472493788.db2.gz XZORVFFYEOXENU-QGZVFWFLSA-N 0 0 337.423 2.718 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)Cc2cccnc2)CC1 ZINC000077286465 472494068 /nfs/dbraw/zinc/49/40/68/472494068.db2.gz TWFQDHQOHCZGLS-UHFFFAOYSA-N 0 0 326.396 2.703 50 0 EFAARN CCC[C@@H](C)N1CC2(CCN(C(=O)c3ncoc3CC)CC2)OC1=O ZINC000077287246 472494505 /nfs/dbraw/zinc/49/45/05/472494505.db2.gz XOJZRAQOQPTEDV-CYBMUJFWSA-N 0 0 349.431 2.853 50 0 EFAARN O=C(c1c[nH]c(=O)cc1O)N1CCCC[C@H]1CCc1cccs1 ZINC000077301166 472496173 /nfs/dbraw/zinc/49/61/73/472496173.db2.gz NVOZRLMATVKILL-LBPRGKRZSA-N 0 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472818949 /nfs/dbraw/zinc/81/89/49/472818949.db2.gz RNEXRXLXVSVMGH-LBPRGKRZSA-N 0 0 335.433 2.503 50 0 EFAARN CC[C@H](C)c1ccccc1OCC(=O)NCCCc1nnc(N)s1 ZINC000063833078 472819321 /nfs/dbraw/zinc/81/93/21/472819321.db2.gz KELWASBXBKGPAG-LBPRGKRZSA-N 0 0 348.472 2.762 50 0 EFAARN COc1ccc(-c2nc3c[nH]n(Cc4cccnc4)c-3n2)c(OC)c1 ZINC000048148056 472820599 /nfs/dbraw/zinc/82/05/99/472820599.db2.gz YYXXHIGDVJVBAE-UHFFFAOYSA-N 0 0 335.367 2.887 50 0 EFAARN CC[C@H](C)N(Cc1ccncc1)C(=O)CNC(=O)c1ccccc1 ZINC000063847984 472820733 /nfs/dbraw/zinc/82/07/33/472820733.db2.gz DHSAICTVZDTZIH-HNNXBMFYSA-N 0 0 325.412 2.639 50 0 EFAARN CC[C@@H](c1nc(C)nn1-c1ccc2c(c1)OCCO2)n1cccn1 ZINC000063869413 472822669 /nfs/dbraw/zinc/82/26/69/472822669.db2.gz LHQUGTOUZIKPLF-AWEZNQCLSA-N 0 0 325.372 2.543 50 0 EFAARN O=C(Cn1ccnc1)Nc1ccccc1OCCOc1ccccc1 ZINC000063870343 472823566 /nfs/dbraw/zinc/82/35/66/472823566.db2.gz BQWIBPPINYYTQG-UHFFFAOYSA-N 0 0 337.379 2.980 50 0 EFAARN 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XMPMXLVKPMORLG-GFCCVEGCSA-N 0 0 325.420 2.965 50 0 EFAARN CC[C@@H](C(=O)NCc1ccc(-c2noc(C)n2)cc1)n1cccn1 ZINC000092019569 472844536 /nfs/dbraw/zinc/84/45/36/472844536.db2.gz XFIZRYZCBSVULS-HNNXBMFYSA-N 0 0 325.372 2.509 50 0 EFAARN COc1ccc2c(c1)OC[C@@H](C(=O)NCCOc1ccc(F)cc1)C2 ZINC000064388929 472849952 /nfs/dbraw/zinc/84/99/52/472849952.db2.gz YHQYCGQYZPYQGW-AWEZNQCLSA-N 0 0 345.370 2.581 50 0 EFAARN Cc1cccnc1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1 ZINC000048501558 472883726 /nfs/dbraw/zinc/88/37/26/472883726.db2.gz APKXAWKCEDQVRA-UHFFFAOYSA-N 0 0 348.406 2.891 50 0 EFAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1c(F)cccc1F ZINC000048513533 472884612 /nfs/dbraw/zinc/88/46/12/472884612.db2.gz MUDXWCQJDJOICL-UHFFFAOYSA-N 0 0 331.366 2.726 50 0 EFAARN COc1ccnc(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)c1 ZINC000106859593 472899161 /nfs/dbraw/zinc/89/91/61/472899161.db2.gz NCKXGBJNOWBSAB-UHFFFAOYSA-N 0 0 338.411 2.570 50 0 EFAARN CCOc1cccc2c1OCC(=O)N(c1ccc3c(c1)OCCO3)C2 ZINC000065184500 472905989 /nfs/dbraw/zinc/90/59/89/472905989.db2.gz VDGCSOWQKFVQMC-UHFFFAOYSA-N 0 0 341.363 2.782 50 0 EFAARN COCCc1ncc(CN2CCN(c3ccc(C)cc3)C[C@@H]2C)cn1 ZINC000106995875 472921327 /nfs/dbraw/zinc/92/13/27/472921327.db2.gz CTDXRUWQQZNWOG-KRWDZBQOSA-N 0 0 340.471 2.685 50 0 EFAARN O=C(NCCc1cccs1)c1cnn2c1nccc2-c1ccccn1 ZINC000049002987 472924608 /nfs/dbraw/zinc/92/46/08/472924608.db2.gz OBUHFBWAUWKMBC-UHFFFAOYSA-N 0 0 349.419 2.825 50 0 EFAARN Cc1cc(NC(=O)C2CCN(C(=O)NCc3cccs3)CC2)no1 ZINC000049027058 472925347 /nfs/dbraw/zinc/92/53/47/472925347.db2.gz LHRVKMOGPVKPCZ-UHFFFAOYSA-N 0 0 348.428 2.605 50 0 EFAARN CN(c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1)S(C)(=O)=O ZINC000065361854 472925643 /nfs/dbraw/zinc/92/56/43/472925643.db2.gz ADRCVFVPCCDOED-UHFFFAOYSA-N 0 0 340.351 2.613 50 0 EFAARN COc1ccc(Nc2nnnc3c2cnn3-c2ccccc2)c(OC)c1 ZINC000049029839 472925536 /nfs/dbraw/zinc/92/55/36/472925536.db2.gz JBICMVLQSGWNGB-UHFFFAOYSA-N 0 0 348.366 2.971 50 0 EFAARN CN(c1cccc(C(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O ZINC000065362268 472925793 /nfs/dbraw/zinc/92/57/93/472925793.db2.gz GPUIVVVIRBAHMD-UHFFFAOYSA-N 0 0 338.816 2.988 50 0 EFAARN O=C(NCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2cccs2)C1 ZINC000049028369 472925812 /nfs/dbraw/zinc/92/58/12/472925812.db2.gz XGWKWNLRBUXDKV-CYBMUJFWSA-N 0 0 344.440 2.703 50 0 EFAARN CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000065361865 472925984 /nfs/dbraw/zinc/92/59/84/472925984.db2.gz NVPYPKUUDJHYTL-UHFFFAOYSA-N 0 0 332.425 2.570 50 0 EFAARN O=C(CNC(=O)c1c[nH]c2ccccc12)NCc1ccccc1Cl ZINC000049027773 472926141 /nfs/dbraw/zinc/92/61/41/472926141.db2.gz XNTVQKVNBXUXNU-UHFFFAOYSA-N 0 0 341.798 2.868 50 0 EFAARN NC(=O)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000065364153 472926752 /nfs/dbraw/zinc/92/67/52/472926752.db2.gz GBYHIFBCAFUYBP-UHFFFAOYSA-N 0 0 345.358 2.538 50 0 EFAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000065364032 472926903 /nfs/dbraw/zinc/92/69/03/472926903.db2.gz LNVIRJMGLFIRSB-UHFFFAOYSA-N 0 0 341.436 2.968 50 0 EFAARN CCC(C)(C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000065363945 472927286 /nfs/dbraw/zinc/92/72/86/472927286.db2.gz RMAVAJBKZZLUOI-UHFFFAOYSA-N 0 0 332.853 2.654 50 0 EFAARN Cc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1C ZINC000065362430 472927364 /nfs/dbraw/zinc/92/73/64/472927364.db2.gz GCNATHFKRPJYSJ-UHFFFAOYSA-N 0 0 332.425 2.952 50 0 EFAARN Cc1nnsc1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000065371539 472927853 /nfs/dbraw/zinc/92/78/53/472927853.db2.gz YRNHEAZTNDOTOH-UHFFFAOYSA-N 0 0 341.440 2.508 50 0 EFAARN Cc1ccc(C)c(NC(=O)CCNC(=O)c2cc(C(C)C)nn2C)c1 ZINC000065374043 472927943 /nfs/dbraw/zinc/92/79/43/472927943.db2.gz GONLVKURIFKWJA-UHFFFAOYSA-N 0 0 342.443 2.919 50 0 EFAARN Cc1nc(CC(=O)NCCc2nccc(-c3ccccc3)n2)cs1 ZINC000065370573 472928164 /nfs/dbraw/zinc/92/81/64/472928164.db2.gz REAPCHSXIVNFTH-UHFFFAOYSA-N 0 0 338.436 2.810 50 0 EFAARN O=C([O-])c1cccnc1C[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000065372445 472928170 /nfs/dbraw/zinc/92/81/70/472928170.db2.gz NJACPIZEYLJXJN-IBGZPJMESA-N 0 0 340.423 2.595 50 0 EFAARN COc1cc2c(cc1OC)CN(CCC(=O)Nc1nccs1)CC2 ZINC000065373620 472928277 /nfs/dbraw/zinc/92/82/77/472928277.db2.gz ZYLRITBPWZPFQC-UHFFFAOYSA-N 0 0 347.440 2.547 50 0 EFAARN CCn1cnnc1CCn1cnc(-c2ccccc2)c1[C@@H]1CCOC1 ZINC000065372969 472928678 /nfs/dbraw/zinc/92/86/78/472928678.db2.gz KQNYLNXVCPVCEH-MRXNPFEDSA-N 0 0 337.427 2.908 50 0 EFAARN CCN(CCCCO)C(=O)CC(=O)Nc1cccc(Cl)c1C ZINC000065376367 472929513 /nfs/dbraw/zinc/92/95/13/472929513.db2.gz MDHRVYACKQAPIM-UHFFFAOYSA-N 0 0 326.824 2.598 50 0 EFAARN CC(C)c1ccc(-n2cc(C3=CCN([C@@H](C)C(N)=O)CC3)cn2)cc1 ZINC000065380900 472929944 /nfs/dbraw/zinc/92/99/44/472929944.db2.gz LHTJLEWZUNAZKX-HNNXBMFYSA-N 0 0 338.455 2.959 50 0 EFAARN CO[C@H]1COC[C@@H]1NC(=O)c1ccc(CSc2ccccn2)cc1 ZINC000065388112 472930787 /nfs/dbraw/zinc/93/07/87/472930787.db2.gz VAAANCDIZLXDTA-HOTGVXAUSA-N 0 0 344.436 2.518 50 0 EFAARN Cc1cnc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065385755 472931240 /nfs/dbraw/zinc/93/12/40/472931240.db2.gz ZODOTHLHYIHNTM-AZUAARDMSA-N 0 0 347.418 2.929 50 0 EFAARN COc1cccc([C@H]2CCN2C(=O)c2cnnn2-c2ccccc2)c1 ZINC000065385060 472931584 /nfs/dbraw/zinc/93/15/84/472931584.db2.gz BYMOBCRWWKUNNG-QGZVFWFLSA-N 0 0 334.379 2.863 50 0 EFAARN Cc1ccc(-c2nnc(CNC[C@@H]3OCCc4ccccc43)o2)n1C ZINC000065385648 472931715 /nfs/dbraw/zinc/93/17/15/472931715.db2.gz ZLQJDIGAHAOFEP-KRWDZBQOSA-N 0 0 338.411 2.787 50 0 EFAARN Cc1nc(C2CCN(Cc3nc(-c4ccco4)no3)CC2)cc(=O)[nH]1 ZINC000065393779 472932082 /nfs/dbraw/zinc/93/20/82/472932082.db2.gz YJHRBOSIYOPCTB-UHFFFAOYSA-N 0 0 341.371 2.513 50 0 EFAARN CC(C)c1nc(Cn2cccnc2=O)n(-c2cccc3cccnc32)n1 ZINC000065394003 472932323 /nfs/dbraw/zinc/93/23/23/472932323.db2.gz WMXJXPMWJBIZJE-UHFFFAOYSA-N 0 0 346.394 2.544 50 0 EFAARN COc1ccc(-n2nc(CC(C)C)nc2[C@@H](C)n2cncn2)cc1 ZINC000065396641 472932486 /nfs/dbraw/zinc/93/24/86/472932486.db2.gz MNXWHKXPNCGUCM-CYBMUJFWSA-N 0 0 326.404 2.675 50 0 EFAARN Cc1noc([C@@H]2CCCCN2C(=O)c2cc(CC(C)C)nn2C)n1 ZINC000065396425 472932507 /nfs/dbraw/zinc/93/25/07/472932507.db2.gz NHISNSFYDVZITO-AWEZNQCLSA-N 0 0 331.420 2.677 50 0 EFAARN CN(C)[C@H](C(=O)N1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 ZINC000065395205 472932724 /nfs/dbraw/zinc/93/27/24/472932724.db2.gz MQKOJXNAJKOFME-SFHVURJKSA-N 0 0 344.434 2.564 50 0 EFAARN CC1(C)CNC(=O)c2[nH]c(C3(COc4ccccc4)CC3)nc2C1 ZINC000065393442 472932748 /nfs/dbraw/zinc/93/27/48/472932748.db2.gz BUQHYQWZXDDGFT-UHFFFAOYSA-N 0 0 325.412 2.832 50 0 EFAARN O=C1NC[C@@H](c2ccccc2)Cc2nc(-c3cnc4ccccn43)[nH]c21 ZINC000065399407 472933910 /nfs/dbraw/zinc/93/39/10/472933910.db2.gz QVGXUGJZJLFFDD-AWEZNQCLSA-N 0 0 343.390 2.794 50 0 EFAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@@H]1c1ccccn1 ZINC000065404604 472934943 /nfs/dbraw/zinc/93/49/43/472934943.db2.gz NGLXUKJWAZFJBJ-QGZVFWFLSA-N 0 0 331.379 2.911 50 0 EFAARN CCN(Cc1noc(C)n1)C(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000065403338 472935053 /nfs/dbraw/zinc/93/50/53/472935053.db2.gz PVTLMROVLPKYJS-UHFFFAOYSA-N 0 0 342.399 2.849 50 0 EFAARN COc1cccc(Cl)c1-c1cc(C(=O)N2CCN(C)CC2)ccn1 ZINC000065406752 472935531 /nfs/dbraw/zinc/93/55/31/472935531.db2.gz OGNKOAYXFBBALI-UHFFFAOYSA-N 0 0 345.830 2.798 50 0 EFAARN COc1ccccc1CNC(=O)CNCc1nc2c(cccc2C)o1 ZINC000065410418 472936378 /nfs/dbraw/zinc/93/63/78/472936378.db2.gz CVHHIBNXJSQNDY-UHFFFAOYSA-N 0 0 339.395 2.551 50 0 EFAARN COc1cccc(-c2cc(CNC(=O)Cc3csc(C)n3)no2)c1 ZINC000065410385 472936725 /nfs/dbraw/zinc/93/67/25/472936725.db2.gz KOIPLHQPPXIALM-UHFFFAOYSA-N 0 0 343.408 2.974 50 0 EFAARN Cc1cccc2c1NC(=O)[C@H]2CC(=O)NCCSc1ccccn1 ZINC000065409654 472936837 /nfs/dbraw/zinc/93/68/37/472936837.db2.gz WXAGWXFLGHIKRE-AWEZNQCLSA-N 0 0 341.436 2.724 50 0 EFAARN CC(C)Cc1nc([C@@H]2CCOC2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000065420746 472938138 /nfs/dbraw/zinc/93/81/38/472938138.db2.gz ZPLPGNLAIPPWGF-CYBMUJFWSA-N 0 0 329.400 2.741 50 0 EFAARN COc1ccc2c(C)c(C(=O)NCCSc3n[nH]c(C)n3)oc2c1 ZINC000065418552 472938326 /nfs/dbraw/zinc/93/83/26/472938326.db2.gz OVSSXVREPCRJCI-UHFFFAOYSA-N 0 0 346.412 2.698 50 0 EFAARN CCCCN(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O ZINC000065434270 472941571 /nfs/dbraw/zinc/94/15/71/472941571.db2.gz HLPBUARACRKXQX-UHFFFAOYSA-N 0 0 325.368 2.730 50 0 EFAARN CC(C)[C@@H]1C=CCN1C(=O)CCCn1cnc2ccccc2c1=O ZINC000065428666 472941717 /nfs/dbraw/zinc/94/17/17/472941717.db2.gz SYDJHWGNWUAAPD-KRWDZBQOSA-N 0 0 325.412 2.600 50 0 EFAARN Cc1ccc(CNC(=O)CN2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000065457890 472945286 /nfs/dbraw/zinc/94/52/86/472945286.db2.gz MXKXAUWFJAJSJO-HNNXBMFYSA-N 0 0 344.484 2.502 50 0 EFAARN Cc1ccc([C@H](C)NC(=O)CN(Cc2cnn(C)c2)C2CC2)cc1 ZINC000065454354 472945977 /nfs/dbraw/zinc/94/59/77/472945977.db2.gz UUGUTOINELINDM-HNNXBMFYSA-N 0 0 326.444 2.570 50 0 EFAARN CCc1noc(CN(CC)C(=O)[C@@H](C)n2cnc3ccccc32)n1 ZINC000065462114 472947323 /nfs/dbraw/zinc/94/73/23/472947323.db2.gz GLKPBFUDVIHNIR-GFCCVEGCSA-N 0 0 327.388 2.591 50 0 EFAARN CC(=O)Nc1ccc(Cl)c(C(=O)NCC2(Cn3ccnc3)CC2)c1 ZINC000065467099 472948193 /nfs/dbraw/zinc/94/81/93/472948193.db2.gz IYJJMNOUNVSAAN-UHFFFAOYSA-N 0 0 346.818 2.705 50 0 EFAARN COc1cccc(C2CCN(c3ncnc4c3CN(C)CC4)CC2)c1 ZINC000065473906 472949587 /nfs/dbraw/zinc/94/95/87/472949587.db2.gz JOUBVUMOHBAIFF-UHFFFAOYSA-N 0 0 338.455 2.857 50 0 EFAARN COc1cccc(C[C@H]2CCCN2c2ncnc3c2CN(C)CC3)c1 ZINC000065475071 472951883 /nfs/dbraw/zinc/95/18/83/472951883.db2.gz NXZKLAIQCIKOIB-MRXNPFEDSA-N 0 0 338.455 2.685 50 0 EFAARN C[NH+]1CCN(c2ccc(NC(=O)CCCn3cccc3)cc2)CC1 ZINC000158623270 472953020 /nfs/dbraw/zinc/95/30/20/472953020.db2.gz ZNONIXDUKHZXOG-UHFFFAOYSA-N 0 0 326.444 2.659 50 0 EFAARN COc1ccnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000065487637 472953989 /nfs/dbraw/zinc/95/39/89/472953989.db2.gz GGSDHFUEESIFMA-LLVKDONJSA-N 0 0 334.445 2.817 50 0 EFAARN Cc1cccc([C@H](C(=O)NCc2cnc3c(C)cccn23)N(C)C)c1 ZINC000065490253 472954090 /nfs/dbraw/zinc/95/40/90/472954090.db2.gz MYSQQUAJUJNSPU-GOSISDBHSA-N 0 0 336.439 2.870 50 0 EFAARN CCc1oc2ccccc2c1[C@@H]1CC(=O)Nc2n[nH]c(C(=O)NC)c21 ZINC000065491966 472955407 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VVGZLRIUZZRQPE-UHFFFAOYSA-N 0 0 328.488 2.949 50 0 EFAARN COc1ccc(C(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1F ZINC000244909730 474570006 /nfs/dbraw/zinc/57/00/06/474570006.db2.gz ASZQSDOIFLPGEJ-INIZCTEOSA-N 0 0 340.358 2.597 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)c1ccc2c(ccn2C)c1 ZINC000244983864 474570136 /nfs/dbraw/zinc/57/01/36/474570136.db2.gz IUNZWNWHSZIVRY-AUUYWEPGSA-N 0 0 338.407 2.795 50 0 EFAARN O=C(Nc1ccc2c(c1)OCO2)c1ccnc(OC2CCOCC2)c1 ZINC000244909783 474570220 /nfs/dbraw/zinc/57/02/20/474570220.db2.gz AVEYLJZORLCIIC-UHFFFAOYSA-N 0 0 342.351 2.620 50 0 EFAARN O=C(NCc1ccc(F)cc1)c1ccc(OCC2CCOCC2)nc1 ZINC000245060691 474570396 /nfs/dbraw/zinc/57/03/96/474570396.db2.gz PWKCZEZWGRWEOF-UHFFFAOYSA-N 0 0 344.386 2.956 50 0 EFAARN Cc1cc(CC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)ccc1O ZINC000245174040 474570500 /nfs/dbraw/zinc/57/05/00/474570500.db2.gz YHILNMVADNTABF-INIZCTEOSA-N 0 0 339.391 2.988 50 0 EFAARN Cc1ccccc1NC(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 ZINC000245171700 474570811 /nfs/dbraw/zinc/57/08/11/474570811.db2.gz XQQGCAFIFSMCCC-HNNXBMFYSA-N 0 0 328.368 2.621 50 0 EFAARN C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2cccnc2)nn1C ZINC000245053454 474570962 /nfs/dbraw/zinc/57/09/62/474570962.db2.gz OVHNVZRKYCSZNJ-AWEZNQCLSA-N 0 0 336.395 2.566 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2cccnc2)nn1C ZINC000245053455 474571017 /nfs/dbraw/zinc/57/10/17/474571017.db2.gz OVHNVZRKYCSZNJ-CQSZACIVSA-N 0 0 336.395 2.566 50 0 EFAARN Cc1nonc1CC(=O)N[C@@H](c1nc2cc(C)ccc2[nH]1)C(C)C ZINC000252485602 474671000 /nfs/dbraw/zinc/67/10/00/474671000.db2.gz GZZBVHIQEDMLLH-MRXNPFEDSA-N 0 0 327.388 2.619 50 0 EFAARN COc1cccc(NC(=O)c2ncn(-c3ccc(F)c(F)c3)n2)c1 ZINC000252485421 474671720 /nfs/dbraw/zinc/67/17/20/474671720.db2.gz GVAHOWZCCJSQPW-UHFFFAOYSA-N 0 0 330.294 2.806 50 0 EFAARN CN(CCn1cnc2ccccc21)Cc1nc(-c2ccccn2)no1 ZINC000252488380 474675309 /nfs/dbraw/zinc/67/53/09/474675309.db2.gz IQRYYHXOYCJUPX-UHFFFAOYSA-N 0 0 334.383 2.613 50 0 EFAARN Cc1nc([C@@H]2CCCN(C(=O)c3cccn3C(C)C)C2)cc(=O)[nH]1 ZINC000252489333 474675731 /nfs/dbraw/zinc/67/57/31/474675731.db2.gz JOJPZTFKPJBGBC-CQSZACIVSA-N 0 0 328.416 2.893 50 0 EFAARN O=C(CSCC1CC1)N[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000252494825 474678372 /nfs/dbraw/zinc/67/83/72/474678372.db2.gz OFXFKTUABDMPPG-CYBMUJFWSA-N 0 0 338.860 2.705 50 0 EFAARN Cc1nc(CC(=O)N2CCC(OCc3ccccn3)CC2)c(C)s1 ZINC000252497600 474680049 /nfs/dbraw/zinc/68/00/49/474680049.db2.gz QKPPOVRHWYZFPM-UHFFFAOYSA-N 0 0 345.468 2.905 50 0 EFAARN CSCC[C@H](CO)NC(=O)CCn1ccc2c1cccc2Cl ZINC000252496023 474680068 /nfs/dbraw/zinc/68/00/68/474680068.db2.gz PEIDBOHPSVOMPX-GFCCVEGCSA-N 0 0 340.876 2.915 50 0 EFAARN CN(C(=O)CCC(=O)N1CCCCCC1)C1Cc2ccccc2C1 ZINC000252503875 474683266 /nfs/dbraw/zinc/68/32/66/474683266.db2.gz VGXFJEXPUPIMCD-UHFFFAOYSA-N 0 0 328.456 2.795 50 0 EFAARN CN(Cc1nc(-c2ccncc2)no1)Cc1cccc(-n2cccn2)c1 ZINC000252506919 474684747 /nfs/dbraw/zinc/68/47/47/474684747.db2.gz WDGPJWJEPXKEDB-UHFFFAOYSA-N 0 0 346.394 2.949 50 0 EFAARN CC[C@@H](C)[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 ZINC000252508382 474684831 /nfs/dbraw/zinc/68/48/31/474684831.db2.gz XMKTWRFZWKBLCB-BZNIZROVSA-N 0 0 349.398 2.518 50 0 EFAARN CC[C@@H](C)[C@H](CO)NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000252508715 474686712 /nfs/dbraw/zinc/68/67/12/474686712.db2.gz XRLTXMWDGQOUGA-BZNIZROVSA-N 0 0 333.407 2.590 50 0 EFAARN O[C@H]1C[C@@H]([C@@H](Nc2ncnc3[nH]ccc32)c2ccc3c(c2)CCO3)C1 ZINC000252536884 474693763 /nfs/dbraw/zinc/69/37/63/474693763.db2.gz JSIFPTBIVIUNKN-VBQJREDUSA-N 0 0 336.395 2.817 50 0 EFAARN O=C(CCc1cn2ccccc2n1)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 ZINC000252536782 474693781 /nfs/dbraw/zinc/69/37/81/474693781.db2.gz JOIUEFGXHMTMDG-MDKPJZGXSA-N 0 0 349.434 2.895 50 0 EFAARN Cn1ccc2c1cccc2C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000252536054 474693958 /nfs/dbraw/zinc/69/39/58/474693958.db2.gz HMZLDPQGTVUTJW-NJSLBKSFSA-N 0 0 335.407 2.815 50 0 EFAARN Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3cccnc3)CC2)n1 ZINC000252532999 474694132 /nfs/dbraw/zinc/69/41/32/474694132.db2.gz FRDWQMLYKCKGTM-WKILWMFISA-N 0 0 326.400 2.608 50 0 EFAARN O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000252536010 474694146 /nfs/dbraw/zinc/69/41/46/474694146.db2.gz HLCKNSBAKRHYHC-OXFYSEKESA-N 0 0 349.434 2.604 50 0 EFAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1cc(=O)[nH]cn1 ZINC000252552915 474697756 /nfs/dbraw/zinc/69/77/56/474697756.db2.gz VFSBOJLUJJVUEQ-UHFFFAOYSA-N 0 0 349.325 2.888 50 0 EFAARN Cc1cccc(C)c1OC1CN(c2cc([C@H]3C[C@@H](O)C3)ncn2)C1 ZINC000252570444 474697878 /nfs/dbraw/zinc/69/78/78/474697878.db2.gz WTNNUYSNFKDZTN-GASCZTMLSA-N 0 0 325.412 2.599 50 0 EFAARN Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CCC(CCn3cccn3)CC2)n1 ZINC000252553171 474698215 /nfs/dbraw/zinc/69/82/15/474698215.db2.gz VGYUUINPZFGSTI-CALCHBBNSA-N 0 0 341.459 2.527 50 0 EFAARN O=C(NCc1c[nH]c2ccccc12)c1cccnc1O[C@@H]1CCOC1 ZINC000253396200 474735645 /nfs/dbraw/zinc/73/56/45/474735645.db2.gz DHVNVSPHMRTKHQ-CQSZACIVSA-N 0 0 337.379 2.661 50 0 EFAARN COC1CN(c2ccc(NC(=O)NCCc3ccccc3)cc2)C1 ZINC000253402454 474737369 /nfs/dbraw/zinc/73/73/69/474737369.db2.gz OJOXMZHABQBYGW-UHFFFAOYSA-N 0 0 325.412 2.886 50 0 EFAARN O=C(/C=C/c1ccoc1)NC[C@H](c1ccco1)N1CCSCC1 ZINC000253407105 474738837 /nfs/dbraw/zinc/73/88/37/474738837.db2.gz VPHGOOYOMYBYLD-NHZBNJEXSA-N 0 0 332.425 2.792 50 0 EFAARN COC(=O)C[C@H](c1cccc(O)c1)c1oc2ccccc2c(=O)c1O ZINC000253407450 474739007 /nfs/dbraw/zinc/73/90/07/474739007.db2.gz JWOXRXJKFLGCHR-CQSZACIVSA-N 0 0 340.331 2.899 50 0 biogenic EFAARN Cc1ccc(C)n1CCCC(=O)NCc1nc(-c2ccncc2)no1 ZINC000253414021 474740429 /nfs/dbraw/zinc/74/04/29/474740429.db2.gz WGGXNJJCYWURRM-UHFFFAOYSA-N 0 0 339.399 2.647 50 0 EFAARN Cc1ccc(C)n1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000253412811 474741442 /nfs/dbraw/zinc/74/14/42/474741442.db2.gz SCSWLTDZQDYCND-UHFFFAOYSA-N 0 0 335.448 2.574 50 0 EFAARN C[C@@H](C(=O)NCCn1ccnc1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253415161 474741673 /nfs/dbraw/zinc/74/16/73/474741673.db2.gz ZVRLEJKOOCRPRY-QAPCUYQASA-N 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/nfs/dbraw/zinc/15/07/48/476150748.db2.gz AGEVTHZKDDPUIU-UHFFFAOYSA-N 0 0 333.457 2.686 50 0 EFAARN COC(=O)c1cccc(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)c1 ZINC000299769597 476152582 /nfs/dbraw/zinc/15/25/82/476152582.db2.gz SNCXNQMXNDAPOX-AWEZNQCLSA-N 0 0 345.403 2.511 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCOc3ccccc3C)[C@H]2C1 ZINC000299769653 476152784 /nfs/dbraw/zinc/15/27/84/476152784.db2.gz SVUQZHGPCWAULW-IMFGXOCKSA-N 0 0 347.455 2.949 50 0 EFAARN Cc1nc(NCC2(O)CCC(F)(F)CC2)cc([C@H]2CCOC2)n1 ZINC000299774380 476152996 /nfs/dbraw/zinc/15/29/96/476152996.db2.gz GUFQFMZWDJJOQK-LBPRGKRZSA-N 0 0 327.375 2.641 50 0 EFAARN CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)c3ccoc3)O2)CC1 ZINC000299786850 476154247 /nfs/dbraw/zinc/15/42/47/476154247.db2.gz RBIFDORQVIYWEG-QGZVFWFLSA-N 0 0 332.444 2.989 50 0 EFAARN COC(C)(C)c1noc([C@H]2CCc3nnc(-c4ccccc4)n3C2)n1 ZINC000351052008 476327765 /nfs/dbraw/zinc/32/77/65/476327765.db2.gz BPAVFCQXZNDEAO-ZDUSSCGKSA-N 0 0 339.399 2.940 50 0 EFAARN Cc1cc(S(=O)(=O)NCCC[C@@H]2CCOC2)c(Cl)cc1F ZINC000452010324 476774211 /nfs/dbraw/zinc/77/42/11/476774211.db2.gz AVAINFDHBSPKIC-LLVKDONJSA-N 0 0 335.828 2.883 50 0 EFAARN O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1cc(C2CC2)on1 ZINC000390827795 476800518 /nfs/dbraw/zinc/80/05/18/476800518.db2.gz KFRNYQNWOWNMKX-QGZVFWFLSA-N 0 0 344.392 2.872 50 0 EFAARN Cc1ccccc1C(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830313 476801753 /nfs/dbraw/zinc/80/17/53/476801753.db2.gz KCTPMTIEEJUNJC-GOSISDBHSA-N 0 0 343.448 2.997 50 0 EFAARN Cc1nn(C)c(C)c1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 ZINC000390830395 476802218 /nfs/dbraw/zinc/80/22/18/476802218.db2.gz KUPJWUYBWKDFJA-ZDUSSCGKSA-N 0 0 345.424 2.822 50 0 EFAARN O=C(c1cc2ccccc2oc1=O)N1CCn2nc(C3CC3)cc2C1 ZINC000390829082 476802524 /nfs/dbraw/zinc/80/25/24/476802524.db2.gz CQPSTTFGIQYYNP-UHFFFAOYSA-N 0 0 335.363 2.523 50 0 EFAARN COc1ccc(CC(=O)N2CCCN(Cc3ccc(C)o3)CC2)cc1 ZINC000371411528 477302682 /nfs/dbraw/zinc/30/26/82/477302682.db2.gz AJYCUBHMIVWTPN-UHFFFAOYSA-N 0 0 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0 345.487 2.897 50 0 EFAARN O=C(NCc1cc(-c2cccc(Cl)c2)no1)N1CCC[C@@H]1CO ZINC000584892321 479274612 /nfs/dbraw/zinc/27/46/12/479274612.db2.gz LFIJJVRPDASOMB-CYBMUJFWSA-N 0 0 335.791 2.661 50 0 EFAARN Cc1ccc2c(c1)ncn(Cc1cnn(Cc3ccccc3)c1)c2=O ZINC000584895391 479274734 /nfs/dbraw/zinc/27/47/34/479274734.db2.gz VGJVGCVWNZYDKV-UHFFFAOYSA-N 0 0 330.391 2.998 50 0 EFAARN Cc1csc(CCCNC(=O)N(C)CCC[C@@H]2CCCO2)n1 ZINC000584897286 479275328 /nfs/dbraw/zinc/27/53/28/479275328.db2.gz AAJLADBQJNPYRP-CQSZACIVSA-N 0 0 325.478 2.985 50 0 EFAARN CC(C)c1nnc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)s1 ZINC000584896953 479275564 /nfs/dbraw/zinc/27/55/64/479275564.db2.gz SPZCWROGBMFAFV-AWEZNQCLSA-N 0 0 331.441 2.925 50 0 EFAARN COCc1nc([C@@H]2C[C@@H]3C=C[C@H]2C3)n(-c2ccc3c(c2)OCCO3)n1 ZINC000584899171 479275929 /nfs/dbraw/zinc/27/59/29/479275929.db2.gz CNDVHHXOAILBIE-VNHYZAJKSA-N 0 0 339.395 2.865 50 0 EFAARN CSCC[C@H](NC(=O)c1csc(N)n1)c1nc2ccccc2[nH]1 ZINC000584900421 479276570 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O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575612646 479454297 /nfs/dbraw/zinc/45/42/97/479454297.db2.gz LOIDWSRYPCGGPN-CQSZACIVSA-N 0 0 340.358 2.781 50 0 EFAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575614090 479454659 /nfs/dbraw/zinc/45/46/59/479454659.db2.gz WOXPPNRNSWXAFF-GFCCVEGCSA-N 0 0 337.301 2.578 50 0 EFAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)[C@@H]1CC=CCC1 ZINC000575613846 479454784 /nfs/dbraw/zinc/45/47/84/479454784.db2.gz WNXNSAHUQUNWCI-OXQOHEQNSA-N 0 0 329.440 2.773 50 0 EFAARN CCCc1nnsc1C(=O)NC[C@@H](c1ccsc1)n1cccn1 ZINC000575614646 479455266 /nfs/dbraw/zinc/45/52/66/479455266.db2.gz ZOIVVIDVTGHXCC-ZDUSSCGKSA-N 0 0 347.469 2.768 50 0 EFAARN O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)[C@H]1CC=CCC1 ZINC000575613844 479455476 /nfs/dbraw/zinc/45/54/76/479455476.db2.gz WNXNSAHUQUNWCI-JXFKEZNVSA-N 0 0 329.440 2.773 50 0 EFAARN COc1ccccc1NC(=O)NCc1ccc(-c2cnn(C)c2)nc1 ZINC000575616317 479456307 /nfs/dbraw/zinc/45/63/07/479456307.db2.gz 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CC[C@H](NC(=O)N1CCC(Oc2cccnc2)CC1)c1cnn(C)c1 ZINC000426383693 536161503 /nfs/dbraw/zinc/16/15/03/536161503.db2.gz BASYZNRPWSKEMR-KRWDZBQOSA-N 0 0 343.431 2.519 50 0 EFAARN CN(CCC(=O)Nc1cccnc1)Cc1nc(-c2ccccc2)no1 ZINC000244633623 536307575 /nfs/dbraw/zinc/30/75/75/536307575.db2.gz GGDWKCCVMGLYOA-UHFFFAOYSA-N 0 0 337.383 2.592 50 0 EFAARN COC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cccc2cccnc21 ZINC000220333232 536417394 /nfs/dbraw/zinc/41/73/94/536417394.db2.gz VPHXAUQLLXFMFL-INIZCTEOSA-N 0 0 341.411 2.814 50 0 EFAARN CN(Cc1[nH]nc2c1CCCCC2)C(=O)NCC[C@@H]1CCCCO1 ZINC000426491578 536485904 /nfs/dbraw/zinc/48/59/04/536485904.db2.gz SZEITULDDMODQL-AWEZNQCLSA-N 0 0 334.464 2.779 50 0 EFAARN CN(Cc1[nH]nc2c1CCCCC2)C(=O)NCC[C@H]1CCCCO1 ZINC000426491579 536486048 /nfs/dbraw/zinc/48/60/48/536486048.db2.gz SZEITULDDMODQL-CQSZACIVSA-N 0 0 334.464 2.779 50 0 EFAARN CO[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000206864806 536510618 /nfs/dbraw/zinc/51/06/18/536510618.db2.gz OZXMRNJXOIPHFW-ZDUSSCGKSA-N 0 0 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CKGNWMUKLJIWAA-ZDUSSCGKSA-N 0 0 344.378 2.677 50 0 EFAARN O=C(NC[C@](O)(c1ccccc1)C1CC1)Nc1ccc2c(c1)OCO2 ZINC000070969517 202339054 /nfs/dbraw/zinc/33/90/54/202339054.db2.gz NVWGVRKWAQFDCD-IBGZPJMESA-N 0 0 340.379 2.835 50 0 EFAARN Cc1nccn1S(=O)(=O)c1cc(C)c(C)cc1Br ZINC000036636415 202327984 /nfs/dbraw/zinc/32/79/84/202327984.db2.gz GVBKXPJQKKKUJL-UHFFFAOYSA-N 0 0 329.219 2.808 50 0 EFAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(Cn2cccn2)cc1 ZINC000072255869 202359210 /nfs/dbraw/zinc/35/92/10/202359210.db2.gz FBQWQAGKPCPGOR-UHFFFAOYSA-N 0 0 344.378 2.969 50 0 EFAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000072270611 202359234 /nfs/dbraw/zinc/35/92/34/202359234.db2.gz RUTVUPCSRDWUGG-MRXNPFEDSA-N 0 0 347.484 2.680 50 0 EFAARN C[C@H](c1cccs1)N(C)C(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270729 202359478 /nfs/dbraw/zinc/35/94/78/202359478.db2.gz VACMNZQAVYAYNP-KGLIPLIRSA-N 0 0 332.473 2.870 50 0 EFAARN CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000072270572 202359567 /nfs/dbraw/zinc/35/95/67/202359567.db2.gz ZMLQMIJORGHTII-JTQLQIEISA-N 0 0 340.353 2.669 50 0 EFAARN COc1cc(C2(C(=O)N[C@H]3CCc4nc(C)cn4C3)CC2)ccc1C ZINC000072279084 202360679 /nfs/dbraw/zinc/36/06/79/202360679.db2.gz ROGXHHSVAOOIBF-INIZCTEOSA-N 0 0 339.439 2.671 50 0 EFAARN COc1ccccc1C(C)(C)C(=O)N[C@@H]1CCc2nc(C)cn2C1 ZINC000072279054 202361788 /nfs/dbraw/zinc/36/17/88/202361788.db2.gz YBFOOVLJOYFMDE-CQSZACIVSA-N 0 0 327.428 2.609 50 0 EFAARN CCCCc1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1 ZINC000075172685 202371656 /nfs/dbraw/zinc/37/16/56/202371656.db2.gz AYHSPHKWSNYFOE-UHFFFAOYSA-N 0 0 340.427 2.908 50 0 EFAARN CCCOc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1 ZINC000037866315 202372035 /nfs/dbraw/zinc/37/20/35/202372035.db2.gz VFJJDPPORUAUKL-UHFFFAOYSA-N 0 0 329.425 2.675 50 0 EFAARN O=C(CSCc1ccccc1)NC[C@@]1(O)CCc2ccccc21 ZINC000075155678 202376008 /nfs/dbraw/zinc/37/60/08/202376008.db2.gz WZTFVGAGERJDAQ-IBGZPJMESA-N 0 0 327.449 2.870 50 0 EFAARN Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H](O)C2)c(Cl)cc1Cl ZINC000075156930 202376072 /nfs/dbraw/zinc/37/60/72/202376072.db2.gz ZAEPYDRBVHBTFO-UWVGGRQHSA-N 0 0 338.256 2.884 50 0 EFAARN CSc1ccccc1C(=O)NC[C@@](C)(O)c1ccc2c(c1)OCO2 ZINC000075155434 202376086 /nfs/dbraw/zinc/37/60/86/202376086.db2.gz WABUWWKHJWGJLX-GOSISDBHSA-N 0 0 345.420 2.775 50 0 EFAARN O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccc(Cl)s1 ZINC000075155727 202376232 /nfs/dbraw/zinc/37/62/32/202376232.db2.gz FVEBPWZBTJTPNH-AWEZNQCLSA-N 0 0 343.857 2.514 50 0 EFAARN COc1cccc(NC(=O)NC[C@@](O)(c2ccco2)C2CC2)c1OC ZINC000075155002 202376321 /nfs/dbraw/zinc/37/63/21/202376321.db2.gz IIXBXNNRZXZWBU-SFHVURJKSA-N 0 0 346.383 2.716 50 0 EFAARN Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H](O)C2)c(Cl)cc1Cl ZINC000075156929 202376550 /nfs/dbraw/zinc/37/65/50/202376550.db2.gz ZAEPYDRBVHBTFO-ZJUUUORDSA-N 0 0 338.256 2.884 50 0 EFAARN CON(C)C(=O)CN(C)c1nc2c(cccc2C(F)(F)F)s1 ZINC000075162186 202377036 /nfs/dbraw/zinc/37/70/36/202377036.db2.gz IRYPZBNUMVXREP-UHFFFAOYSA-N 0 0 333.335 2.771 50 0 EFAARN O=C(NC[C@@]1(O)CCOc2ccccc21)c1c(F)cccc1Cl ZINC000075158110 202377283 /nfs/dbraw/zinc/37/72/83/202377283.db2.gz UUIGHZJXVCOQNE-KRWDZBQOSA-N 0 0 335.762 2.879 50 0 EFAARN C[C@@H](NC(=O)c1cn(C[C@H](O)c2ccccc2)nn1)c1ccccc1 ZINC000075164018 202377461 /nfs/dbraw/zinc/37/74/61/202377461.db2.gz XRVYPBCYJLTJTQ-KDOFPFPSSA-N 0 0 336.395 2.503 50 0 EFAARN O=C(CSc1nc2ccccc2o1)NCc1cnn2ccccc12 ZINC000075162675 202377470 /nfs/dbraw/zinc/37/74/70/202377470.db2.gz BVCCRIFXTODJEA-UHFFFAOYSA-N 0 0 338.392 2.884 50 0 EFAARN O=C(NC[C@@]1(O)CCOc2ccccc21)C1(c2ccc(F)cc2)CC1 ZINC000075158144 202377479 /nfs/dbraw/zinc/37/74/79/202377479.db2.gz LEMKJGNDHOJVGY-FQEVSTJZSA-N 0 0 341.382 2.644 50 0 EFAARN CCCc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1 ZINC000075166676 202377922 /nfs/dbraw/zinc/37/79/22/202377922.db2.gz OPGUUKQACDUVHZ-UHFFFAOYSA-N 0 0 337.367 2.674 50 0 EFAARN COCCN(Cc1ccsc1)C(=O)NCCOc1ccccc1 ZINC000075170215 202378209 /nfs/dbraw/zinc/37/82/09/202378209.db2.gz CNHDWFJFAPFKOT-UHFFFAOYSA-N 0 0 334.441 2.985 50 0 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340.408 2.752 50 0 EFAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1-n1cnnn1 ZINC000040285391 202431578 /nfs/dbraw/zinc/43/15/78/202431578.db2.gz OGSAIDFZRSLMSG-UHFFFAOYSA-N 0 0 343.774 2.506 50 0 EFAARN COCc1nn2c(nnc3c2ccn(C2CC2)c3=O)c1-c1ccccc1 ZINC000040391165 202438120 /nfs/dbraw/zinc/43/81/20/202438120.db2.gz XXINZMNSBQAGNC-UHFFFAOYSA-N 0 0 347.378 2.588 50 0 EFAARN O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000006730685 304097596 /nfs/dbraw/zinc/09/75/96/304097596.db2.gz QVLAYGXJFWHKFA-NANBGGJNSA-N 0 0 348.487 2.600 50 0 EFAARN O=C([O-])C1(Oc2ccccc2F)CC[NH+](Cc2cccnc2)CC1 ZINC000072433591 216228579 /nfs/dbraw/zinc/22/85/79/216228579.db2.gz FZPLEYZKDOTMMA-UHFFFAOYSA-N 0 0 330.359 2.719 50 0 EFAARN CN1CC2(CC1=O)CCN(Cc1c[nH]c(CC3CCCC3)n1)CC2 ZINC000072431289 216224349 /nfs/dbraw/zinc/22/43/49/216224349.db2.gz YSXYAKHTFAGYHL-UHFFFAOYSA-N 0 0 330.476 2.587 50 0 EFAARN CN(CCCc1cnn(C)c1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072432518 216226744 /nfs/dbraw/zinc/22/67/44/216226744.db2.gz KLOLQBNMVYACGH-UHFFFAOYSA-N 0 0 343.471 2.828 50 0 EFAARN CSc1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1 ZINC000072432494 216226876 /nfs/dbraw/zinc/22/68/76/216226876.db2.gz RCWQZULCZFLSKV-UHFFFAOYSA-N 0 0 339.424 2.656 50 0 EFAARN Cc1cc(C)n(Cc2ccc(C(=O)N(C)CCc3cn[nH]c3)cc2)n1 ZINC000072478098 216256984 /nfs/dbraw/zinc/25/69/84/216256984.db2.gz JMFVQLFWSWPGTH-UHFFFAOYSA-N 0 0 337.427 2.586 50 0 EFAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000222197307 201032759 /nfs/dbraw/zinc/03/27/59/201032759.db2.gz QAKVHLOUCSFIGE-GJZGRUSLSA-N 0 0 349.438 2.813 50 0 EFAARN Cc1nn(C)c(N(C)C)c1CN[C@H]1CCCOc2ccc(F)cc21 ZINC000058421559 201143383 /nfs/dbraw/zinc/14/33/83/201143383.db2.gz PGSUYGYSTGJWBY-INIZCTEOSA-N 0 0 332.423 2.937 50 0 EFAARN C[C@@H]1C[C@@H](N2CCO[C@H](c3nc(-c4ccccc4)cs3)C2)C(=O)O1 ZINC000065462910 201154179 /nfs/dbraw/zinc/15/41/79/201154179.db2.gz JVPOPNCUPFWEJL-WQVCFCJDSA-N 0 0 344.436 2.887 50 0 EFAARN COc1ccc(C)cc1[C@@H](O)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000065466759 201154533 /nfs/dbraw/zinc/15/45/33/201154533.db2.gz MQWLKVCONTZVPH-RDJZCZTQSA-N 0 0 348.468 2.875 50 0 EFAARN Cc1csc([C@H]2CN(Cc3cccc4c3OCCO4)CCO2)n1 ZINC000065552940 201155329 /nfs/dbraw/zinc/15/53/29/201155329.db2.gz VBILSQXGRWWSTF-OAHLLOKOSA-N 0 0 332.425 2.796 50 0 EFAARN O=C(/C=C/c1ccoc1)NC[C@H](c1ccoc1)N1CCSCC1 ZINC000253401056 201186302 /nfs/dbraw/zinc/18/63/02/201186302.db2.gz MJTNJXXLMDQOIW-XGBNDESESA-N 0 0 332.425 2.792 50 0 EFAARN COC1CN(c2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc2)C1 ZINC000253403650 201186924 /nfs/dbraw/zinc/18/69/24/201186924.db2.gz QGXSAMALYYEVCN-UHFFFAOYSA-N 0 0 346.452 2.772 50 0 EFAARN COCCc1noc(-c2cncnc2N[C@H]2CCc3ccccc32)n1 ZINC000263619194 201209073 /nfs/dbraw/zinc/20/90/73/201209073.db2.gz XKXBXHVIISSIFG-HNNXBMFYSA-N 0 0 337.383 2.815 50 0 EFAARN Nc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000020246962 283695799 /nfs/dbraw/zinc/69/57/99/283695799.db2.gz FJFXKJLCRHRVIH-UHFFFAOYSA-N 0 0 329.713 2.689 50 0 EFAARN O=C(Nc1ccc(Br)c(Br)c1)c1nc[nH]n1 ZINC000005730994 201361861 /nfs/dbraw/zinc/36/18/61/201361861.db2.gz CXGLDFXIVZOXRJ-UHFFFAOYSA-N 0 0 345.982 2.582 50 0 EFAARN CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 ZINC000000195498 201357315 /nfs/dbraw/zinc/35/73/15/201357315.db2.gz WVFFKGQXCSJRLU-UHFFFAOYSA-N 0 0 328.755 2.947 50 0 EFAARN COC(=O)c1ccccc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000000490459 201357761 /nfs/dbraw/zinc/35/77/61/201357761.db2.gz KSUHDLSORFHOHX-IBGZPJMESA-N 0 0 339.347 2.584 50 0 biogenic EFAARN Cc1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000000526717 201359009 /nfs/dbraw/zinc/35/90/09/201359009.db2.gz NFCYCRUYWPBCIH-CABCVRRESA-N 0 0 339.464 2.973 50 0 EFAARN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000571643 201359185 /nfs/dbraw/zinc/35/91/85/201359185.db2.gz ZVAUUMBDAONFRZ-UHFFFAOYSA-N 0 0 332.425 2.969 50 0 EFAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(OCC)c(OCC)c2)C1 ZINC000001456539 201359211 /nfs/dbraw/zinc/35/92/11/201359211.db2.gz 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CC[C@H](C(=O)NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000085559036 202624949 /nfs/dbraw/zinc/62/49/49/202624949.db2.gz ZVKVDDKNLSQWKA-ZWKOTPCHSA-N 0 0 325.408 2.965 50 0 EFAARN Cc1cc([C@@H](O)CCNS(=O)(=O)c2ccc(F)cc2C)c(C)o1 ZINC000085561808 202623650 /nfs/dbraw/zinc/62/36/50/202623650.db2.gz SLHOJSYHJRYDNQ-HNNXBMFYSA-N 0 0 341.404 2.746 50 0 EFAARN O=C(CCNC(=O)C1CCC1)Nc1ccc(Br)cc1 ZINC000048860478 202612294 /nfs/dbraw/zinc/61/22/94/202612294.db2.gz JVWPOAWVCPPERO-UHFFFAOYSA-N 0 0 325.206 2.694 50 0 EFAARN Cc1nc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)sc1C ZINC000049545037 202624852 /nfs/dbraw/zinc/62/48/52/202624852.db2.gz ZNIRZGMBZWYPSZ-UHFFFAOYSA-N 0 0 346.437 2.684 50 0 EFAARN Cc1cc(C)n(-c2ncc(NC(=O)[C@@H](C)Oc3ccccc3)cn2)n1 ZINC000085555419 202621195 /nfs/dbraw/zinc/62/11/95/202621195.db2.gz DWOBGYKZCNRKOK-CQSZACIVSA-N 0 0 337.383 2.685 50 0 EFAARN COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c1 ZINC000051356962 202639485 /nfs/dbraw/zinc/63/94/85/202639485.db2.gz HAJBHJUSGIZHDR-UHFFFAOYSA-N 0 0 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COc1ccc(-c2ccc(-c3nc([C@H]4CCOC4)no3)c(=O)[nH]2)cc1 ZINC000096141841 203842857 /nfs/dbraw/zinc/84/28/57/203842857.db2.gz VAKTVOUNKQKJHG-LBPRGKRZSA-N 0 0 339.351 2.604 50 0 EFAARN CCOc1ncccc1CNC(=O)[C@@H]1CCOc2ccccc2C1 ZINC000096151160 203843914 /nfs/dbraw/zinc/84/39/14/203843914.db2.gz LPWDMWYTQRDFHB-OAHLLOKOSA-N 0 0 326.396 2.738 50 0 EFAARN CCc1noc(CN(CC)C(=O)Nc2cc(C(C)=O)ccc2OC)n1 ZINC000096153045 203844916 /nfs/dbraw/zinc/84/49/16/203844916.db2.gz OZBGPHDVQQJLEQ-UHFFFAOYSA-N 0 0 346.387 2.897 50 0 EFAARN CCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4O)c2ccccc21 ZINC000096448105 203892402 /nfs/dbraw/zinc/89/24/02/203892402.db2.gz BJJQIIUYWZVYRT-UHFFFAOYSA-N 0 0 325.456 2.678 50 0 biogenic EFAARN COc1ccc(NC(=O)N2CCC[C@@H](OCc3cccnc3)C2)cn1 ZINC000096160846 203849129 /nfs/dbraw/zinc/84/91/29/203849129.db2.gz YFRMOGUYGZEUPH-MRXNPFEDSA-N 0 0 342.399 2.698 50 0 EFAARN Cc1ccc(C)c(-n2nc(CC(N)=O)nc2-c2cc(C(C)C)no2)c1 ZINC000096179784 203850740 /nfs/dbraw/zinc/85/07/40/203850740.db2.gz JRIVYDYDRTYNEC-UHFFFAOYSA-N 0 0 339.399 2.690 50 0 EFAARN COc1cccc([C@H]2CCN2C(=O)c2cnn3c2nc(C)cc3C)c1 ZINC000097117041 203923893 /nfs/dbraw/zinc/92/38/93/203923893.db2.gz LXPAPOHBENVZFG-QGZVFWFLSA-N 0 0 336.395 2.942 50 0 EFAARN CCCn1nc(C)c(NC(=O)N[C@@H](C)c2cn3ncsc3n2)c1C ZINC000097137416 203925105 /nfs/dbraw/zinc/92/51/05/203925105.db2.gz IKFYCOOMWAWBES-VIFPVBQESA-N 0 0 347.448 2.897 50 0 EFAARN O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000097156109 203927665 /nfs/dbraw/zinc/92/76/65/203927665.db2.gz LOLAXWHEMKIHIW-SFHVURJKSA-N 0 0 333.395 2.699 50 0 EFAARN O=C(NCCCSC1CCCCC1)[C@@H]1CCCCn2nnnc21 ZINC000097288781 203939252 /nfs/dbraw/zinc/93/92/52/203939252.db2.gz MHTCCRBJRPJIIF-CQSZACIVSA-N 0 0 337.493 2.513 50 0 EFAARN Cc1nn(C)c(C)c1CN(C(=O)c1cn2cccc(C)c2n1)C1CC1 ZINC000097468163 203946182 /nfs/dbraw/zinc/94/61/82/203946182.db2.gz JBZKMEWOFMQCDC-UHFFFAOYSA-N 0 0 337.427 2.798 50 0 EFAARN CN(Cc1ccc2nonc2c1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000097729497 203959738 /nfs/dbraw/zinc/95/97/38/203959738.db2.gz KSRAQPJRPITEJC-UHFFFAOYSA-N 0 0 349.350 2.591 50 0 EFAARN CNC(=O)c1cccc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 ZINC000097773242 203964614 /nfs/dbraw/zinc/96/46/14/203964614.db2.gz PQMXXYINHTULRM-AWEZNQCLSA-N 0 0 325.412 2.501 50 0 EFAARN CCc1cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)on1 ZINC000097797291 203964920 /nfs/dbraw/zinc/96/49/20/203964920.db2.gz HPZLHLAFXLLQSH-QGZVFWFLSA-N 0 0 344.411 2.937 50 0 EFAARN CC(=O)N(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1cccc(Cl)c1 ZINC000100537626 203995185 /nfs/dbraw/zinc/99/51/85/203995185.db2.gz HDGPQAWKKAYKIX-GASCZTMLSA-N 0 0 332.787 2.602 50 0 EFAARN CCOc1ccccc1CCNC(=O)c1c2c(nn1C)CCCC2 ZINC000097522461 203948941 /nfs/dbraw/zinc/94/89/41/203948941.db2.gz JRQTYCMURMPWSD-UHFFFAOYSA-N 0 0 327.428 2.670 50 0 EFAARN O=C(NCCOCc1ccccc1)[C@H]1CC(=O)OC12CCCCC2 ZINC000097609959 203952979 /nfs/dbraw/zinc/95/29/79/203952979.db2.gz SPXIWQSMFLTHKF-MRXNPFEDSA-N 0 0 331.412 2.585 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)CCc1c(C)noc1C ZINC000097601130 203953520 /nfs/dbraw/zinc/95/35/20/203953520.db2.gz CQSDSAXJUVKXGU-UHFFFAOYSA-N 0 0 334.420 2.854 50 0 EFAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)CCC2 ZINC000102432005 204039133 /nfs/dbraw/zinc/03/91/33/204039133.db2.gz NRXQGMPMFHPHKP-CALCHBBNSA-N 0 0 340.423 2.679 50 0 EFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 ZINC000100708558 203995939 /nfs/dbraw/zinc/99/59/39/203995939.db2.gz HYGYOCNGQGEXPP-KRWDZBQOSA-N 0 0 345.395 2.666 50 0 EFAARN Cc1nc2[nH]c(NCc3cccc(Br)c3)nn2c(=O)c1C ZINC000101103218 204001207 /nfs/dbraw/zinc/00/12/07/204001207.db2.gz KNCBIBHVYXVLLD-UHFFFAOYSA-N 0 0 348.204 2.821 50 0 EFAARN O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1C1CCCCC1 ZINC000101360727 204004541 /nfs/dbraw/zinc/00/45/41/204004541.db2.gz JDIMHHOJBXBUIB-DZGCQCFKSA-N 0 0 332.787 2.761 50 0 EFAARN Cc1cc(C)cc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)C3=C2O)c1 ZINC000101359102 204004820 /nfs/dbraw/zinc/00/48/20/204004820.db2.gz UIOZDPTWVJDJDX-DOTOQJQBSA-N 0 0 338.338 2.735 50 0 EFAARN O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1C1CCCCC1 ZINC000101360725 204004880 /nfs/dbraw/zinc/00/48/80/204004880.db2.gz JDIMHHOJBXBUIB-UKRRQHHQSA-N 0 0 332.787 2.761 50 0 EFAARN CCOc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCc1ccccc1 ZINC000101376881 204005628 /nfs/dbraw/zinc/00/56/28/204005628.db2.gz LXSSVNUPNQDONN-IBGZPJMESA-N 0 0 338.407 2.852 50 0 EFAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn(CCO)c(=N)c12 ZINC000101488714 204007431 /nfs/dbraw/zinc/00/74/31/204007431.db2.gz ABCSNUTVGHUQMK-UHFFFAOYSA-N 0 0 339.424 2.525 50 0 EFAARN CCSc1nc(CC(=O)N[C@H]2C(=O)Nc3cccc(C)c32)cs1 ZINC000102574945 204042431 /nfs/dbraw/zinc/04/24/31/204042431.db2.gz BRIOCWOQIWBMDO-CQSZACIVSA-N 0 0 347.465 2.916 50 0 EFAARN COCc1nc2c(s1)CN(C(=O)c1cc(OC)cc(OC)c1)CC2 ZINC000041194444 204022507 /nfs/dbraw/zinc/02/25/07/204022507.db2.gz IYQDFTMBUFQHIH-UHFFFAOYSA-N 0 0 348.424 2.505 50 0 EFAARN CC(C)c1nccn1[C@H](C)C(=O)NCCC1=CSC2=NCCCN12 ZINC000101958890 204026917 /nfs/dbraw/zinc/02/69/17/204026917.db2.gz KRMALUFDOQFNHT-CYBMUJFWSA-N 0 0 347.488 2.724 50 0 EFAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CN2CCOCC2)ccc1F ZINC000102178247 204033823 /nfs/dbraw/zinc/03/38/23/204033823.db2.gz QFRZENAJIUBPGB-BCDXTJNWSA-N 0 0 346.446 2.703 50 0 EFAARN CCc1c(C)scc1C(=O)NN1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000102307008 204035555 /nfs/dbraw/zinc/03/55/55/204035555.db2.gz DPYXJNKOUUOECB-OKILXGFUSA-N 0 0 346.452 2.995 50 0 EFAARN O=C(Nc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1)C1CCC1 ZINC000102665083 204046039 /nfs/dbraw/zinc/04/60/39/204046039.db2.gz RQRPMXGEISOVPD-FVQHAEBGSA-N 0 0 328.412 2.553 50 0 EFAARN CCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(CC)nn2c1N ZINC000102748240 204049145 /nfs/dbraw/zinc/04/91/45/204049145.db2.gz QCICRDQUFGWKME-UHFFFAOYSA-N 0 0 340.383 2.557 50 0 EFAARN Cn1cccc1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000102797538 204051039 /nfs/dbraw/zinc/05/10/39/204051039.db2.gz QSKDTJIYUOCQPC-UHFFFAOYSA-N 0 0 325.456 2.804 50 0 EFAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)NC2CC2)C1 ZINC000042384724 204093596 /nfs/dbraw/zinc/09/35/96/204093596.db2.gz SJOQCMXUQMVWIE-ZDUSSCGKSA-N 0 0 335.835 2.540 50 0 EFAARN OCC[C@@H]1CN(c2ncccc2Cl)CCN1Cc1ccccc1F ZINC000106973777 204222300 /nfs/dbraw/zinc/22/23/00/204222300.db2.gz MZFQBMOZJPNLEL-OAHLLOKOSA-N 0 0 349.837 2.947 50 0 EFAARN COC(=O)N1CCC(CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000043982432 204291035 /nfs/dbraw/zinc/29/10/35/204291035.db2.gz UXTFNTSAJQGMQT-UHFFFAOYSA-N 0 0 340.423 2.977 50 0 EFAARN COC(=O)N1CCC(CNC(=O)CCSc2ccccc2)CC1 ZINC000043982415 204291880 /nfs/dbraw/zinc/29/18/80/204291880.db2.gz DZKLKEMJWFLGJW-UHFFFAOYSA-N 0 0 336.457 2.763 50 0 EFAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)c2ccco2)CC1 ZINC000044001820 204291944 /nfs/dbraw/zinc/29/19/44/204291944.db2.gz CVELYNONXPDIOJ-AATRIKPKSA-N 0 0 328.368 2.554 50 0 EFAARN COC(=O)N1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000043982895 204291949 /nfs/dbraw/zinc/29/19/49/204291949.db2.gz ZNYYIRJKOYUNED-UHFFFAOYSA-N 0 0 339.823 2.618 50 0 EFAARN Cc1noc(C)c1CCC(=O)NCc1nc(-c2ccccc2)no1 ZINC000043996645 204293251 /nfs/dbraw/zinc/29/32/51/204293251.db2.gz GJXQMGWEAULCHO-UHFFFAOYSA-N 0 0 326.356 2.590 50 0 EFAARN COC(=O)c1ccccc1NC(=O)c1csc(-c2cnccn2)n1 ZINC000044123306 204296911 /nfs/dbraw/zinc/29/69/11/204296911.db2.gz RQEDPIUTCOFZSR-UHFFFAOYSA-N 0 0 340.364 2.639 50 0 EFAARN O=C(c1ccc2c(c1)CCC2)N1CCC(c2nnc3n2CCC3)CC1 ZINC000047231380 204337204 /nfs/dbraw/zinc/33/72/04/204337204.db2.gz HWACXSJAMQCYGM-UHFFFAOYSA-N 0 0 336.439 2.733 50 0 EFAARN COc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)C1=O ZINC000049026142 204361959 /nfs/dbraw/zinc/36/19/59/204361959.db2.gz VCJUJCIXLWCEGI-UHFFFAOYSA-N 0 0 343.358 2.715 50 0 EFAARN O=C(NCc1ccccn1)[C@H]1CCCN(C(=O)Nc2cccs2)C1 ZINC000049028373 204364104 /nfs/dbraw/zinc/36/41/04/204364104.db2.gz XGWKWNLRBUXDKV-ZDUSSCGKSA-N 0 0 344.440 2.703 50 0 EFAARN O=C(c1cnccn1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363076 204387224 /nfs/dbraw/zinc/38/72/24/204387224.db2.gz WKALGQQGEQMGAF-UHFFFAOYSA-N 0 0 341.396 2.608 50 0 EFAARN Cc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)c1C ZINC000049404670 204389869 /nfs/dbraw/zinc/38/98/69/204389869.db2.gz YHVMUOBFMNBVKB-UHFFFAOYSA-N 0 0 325.412 2.686 50 0 EFAARN O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000049504191 204392903 /nfs/dbraw/zinc/39/29/03/204392903.db2.gz BPJNHBSQHKNTBS-ONOODXEBSA-N 0 0 337.441 2.653 50 0 EFAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(-n2cccn2)nc1 ZINC000049407314 204393719 /nfs/dbraw/zinc/39/37/19/204393719.db2.gz ZVENKMHSQUGERO-UHFFFAOYSA-N 0 0 330.750 2.990 50 0 EFAARN COc1ccc([C@H](O)[C@@H](CN2CCOCC2)c2ccccc2)cc1F ZINC000019229394 212007144 /nfs/dbraw/zinc/00/71/44/212007144.db2.gz RDWKKDSOTUKQKO-PXNSSMCTSA-N 0 0 345.414 2.984 50 0 EFAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3)C2=O)cc1 ZINC000016754277 211933398 /nfs/dbraw/zinc/93/33/98/211933398.db2.gz FETRMVLACCQMRK-WJDWOHSUSA-N 0 0 335.363 2.526 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000016603792 211917885 /nfs/dbraw/zinc/91/78/85/211917885.db2.gz YQLCXOWECOYOSN-UHFFFAOYSA-N 0 0 336.438 2.527 50 0 EFAARN COC(=O)[C@H](CCSC)NC(=O)c1ccc(-n2cccc2)cc1 ZINC000015760742 211849686 /nfs/dbraw/zinc/84/96/86/211849686.db2.gz WROHEMMCXMFZDN-HNNXBMFYSA-N 0 0 332.425 2.502 50 0 biogenic EFAARN O=C(Nc1cccc(F)c1)c1nnn2c1CO[C@@H](c1ccccc1)C2 ZINC000263617139 284351209 /nfs/dbraw/zinc/35/12/09/284351209.db2.gz MFMRLZRJNBUOJM-MRXNPFEDSA-N 0 0 338.342 2.941 50 0 EFAARN COC(=O)c1sc2ncn(Cc3cccc(C)c3)c(=O)c2c1C ZINC000000132430 205410300 /nfs/dbraw/zinc/41/03/00/205410300.db2.gz OFUBNMGZLMDQDI-UHFFFAOYSA-N 0 0 328.393 2.910 50 0 EFAARN O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCOCC1 ZINC000000255251 205426504 /nfs/dbraw/zinc/42/65/04/205426504.db2.gz IFCCGFAQGBCKKI-UHFFFAOYSA-N 0 0 349.843 2.748 50 0 EFAARN CN(C)S(=O)(=O)n1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000460248 205466160 /nfs/dbraw/zinc/46/61/60/205466160.db2.gz GYGJMVROMPSSEY-UHFFFAOYSA-N 0 0 327.409 2.872 50 0 EFAARN CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1 ZINC000000528762 205480260 /nfs/dbraw/zinc/48/02/60/205480260.db2.gz UOVZBDDHUTURET-OAHLLOKOSA-N 0 0 347.436 2.846 50 0 EFAARN Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc12 ZINC000002099760 205606828 /nfs/dbraw/zinc/60/68/28/205606828.db2.gz AQPFJTVMYYRFAH-LLVKDONJSA-N 0 0 347.367 2.920 50 0 biogenic EFAARN CN(C)c1ccc(NC(=O)CCn2c3ccccc3oc2=O)cc1 ZINC000002464742 205624181 /nfs/dbraw/zinc/62/41/81/205624181.db2.gz HTWRZIUUEGQPHQ-UHFFFAOYSA-N 0 0 325.368 2.689 50 0 EFAARN CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000002711004 205624968 /nfs/dbraw/zinc/62/49/68/205624968.db2.gz BQRLBMBRCDQWLX-GJZGRUSLSA-N 0 0 348.468 2.901 50 0 EFAARN COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000004084646 205680802 /nfs/dbraw/zinc/68/08/02/205680802.db2.gz HBUXZGWKGLHFAK-ZDUSSCGKSA-N 0 0 332.356 2.502 50 0 biogenic EFAARN O=C(NCC1N=NC(=S)N1c1ccc(F)cc1)c1ccccc1F ZINC000004059210 205676988 /nfs/dbraw/zinc/67/69/88/205676988.db2.gz GTFUIGIZJFCVNE-UHFFFAOYSA-N 0 0 346.362 2.764 50 0 EFAARN O=C(NCCc1ccccc1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000004073931 205678198 /nfs/dbraw/zinc/67/81/98/205678198.db2.gz GYSDVSFCWMVRGQ-QFBILLFUSA-N 0 0 338.432 2.615 50 0 biogenic EFAARN c1nn(-c2ccccc2)c2ncnc(SCCC3OCCO3)c12 ZINC000004341399 205705423 /nfs/dbraw/zinc/70/54/23/205705423.db2.gz IJRJHGLJHRAEMB-UHFFFAOYSA-N 0 0 328.397 2.671 50 0 EFAARN CCSc1nnc(NC(=O)[C@H](C)SC2=NCCS2)s1 ZINC000004174585 205688524 /nfs/dbraw/zinc/68/85/24/205688524.db2.gz AYEISKYSSPMZRI-LURJTMIESA-N 0 0 334.517 2.813 50 0 EFAARN Cc1cc(C)c(NC(=O)CCNS(=O)(=O)c2ccccc2)c(C)c1 ZINC000004942437 205732464 /nfs/dbraw/zinc/73/24/64/205732464.db2.gz QRBPKSKTZUESIB-UHFFFAOYSA-N 0 0 346.452 2.919 50 0 EFAARN Cc1ccc(-n2nnc3c2ncn(Cc2ccccc2F)c3=O)cc1C ZINC000005057183 205748766 /nfs/dbraw/zinc/74/87/66/205748766.db2.gz SLTLWXZMUSHKOM-UHFFFAOYSA-N 0 0 349.369 2.781 50 0 EFAARN O=C(Nc1nc(-c2ccco2)cs1)c1ccc(-n2cccn2)nn1 ZINC000070641245 284413151 /nfs/dbraw/zinc/41/31/51/284413151.db2.gz SWJCPWNGBGHMDG-UHFFFAOYSA-N 0 0 338.352 2.631 50 0 EFAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1F ZINC000005314740 205767800 /nfs/dbraw/zinc/76/78/00/205767800.db2.gz RIPCSODMZMOFPT-UHFFFAOYSA-N 0 0 334.372 2.618 50 0 EFAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000006742919 205818814 /nfs/dbraw/zinc/81/88/14/205818814.db2.gz CATSEWHFCTZHIS-HNNXBMFYSA-N 0 0 344.521 2.667 50 0 EFAARN O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccccc1Cl ZINC000008954582 205887014 /nfs/dbraw/zinc/88/70/14/205887014.db2.gz LDWATLWWMYMYML-UHFFFAOYSA-N 0 0 343.770 2.587 50 0 EFAARN Cc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000008768875 205864422 /nfs/dbraw/zinc/86/44/22/205864422.db2.gz IWOSLVPDDRWKSJ-UHFFFAOYSA-N 0 0 339.461 2.505 50 0 EFAARN Cc1c(S(=O)(=O)c2ccc(C)cc2)nnn1-c1cc(F)ccc1F ZINC000005043222 291586233 /nfs/dbraw/zinc/58/62/33/291586233.db2.gz AGNBNKIWHYCIHC-UHFFFAOYSA-N 0 0 349.362 2.995 50 0 EFAARN CCN(CC)C(=O)C1=C(C)NC(=O)N[C@H]1c1c(F)cccc1Cl ZINC000000464705 284463023 /nfs/dbraw/zinc/46/30/23/284463023.db2.gz MYXQKUQIYAXYPP-CQSZACIVSA-N 0 0 339.798 2.975 50 0 EFAARN O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)N1CCCCC1 ZINC000100623402 296218732 /nfs/dbraw/zinc/21/87/32/296218732.db2.gz HTHWIJDCOAXICQ-IRXDYDNUSA-N 0 0 340.423 2.992 50 0 EFAARN COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 ZINC000000121117 206207920 /nfs/dbraw/zinc/20/79/20/206207920.db2.gz LMRCWCWWSZTHTB-UHFFFAOYSA-N 0 0 335.157 2.883 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000000121114 206208000 /nfs/dbraw/zinc/20/80/00/206208000.db2.gz GJNGUSHHHVANCU-UHFFFAOYSA-N 0 0 335.157 2.883 50 0 EFAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1 ZINC000000143584 206208071 /nfs/dbraw/zinc/20/80/71/206208071.db2.gz UMYJOZGSKMXNIM-UHFFFAOYSA-N 0 0 335.315 2.886 50 0 EFAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000182347 206208406 /nfs/dbraw/zinc/20/84/06/206208406.db2.gz SERYIYNGCWBJFA-VQHVLOKHSA-N 0 0 325.320 2.854 50 0 biogenic EFAARN CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2C)CC1 ZINC000000178537 206208607 /nfs/dbraw/zinc/20/86/07/206208607.db2.gz LWDBPPYRAAJEKV-UHFFFAOYSA-N 0 0 339.819 2.829 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000000130559 206208751 /nfs/dbraw/zinc/20/87/51/206208751.db2.gz FULRTILSYSYODL-MRXNPFEDSA-N 0 0 327.336 2.642 50 0 EFAARN CCOC(=O)C1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000000203394 206209683 /nfs/dbraw/zinc/20/96/83/206209683.db2.gz VDXOKNKKQBJZME-UHFFFAOYSA-N 0 0 329.400 2.820 50 0 EFAARN CC(C)N1C(=O)N[C@@H](C)[C@@H]2[C@H]1NC(=O)N(C(C)C)[C@@H]2c1ccccc1 ZINC000000053661 206211389 /nfs/dbraw/zinc/21/13/89/206211389.db2.gz PFWXSCUXNSMURW-LLLHUVSDSA-N 0 0 344.459 2.926 50 0 biogenic EFAARN O=C(N[C@H](O)C(Cl)(Cl)Cl)c1cccc(Br)c1 ZINC000000285163 206223395 /nfs/dbraw/zinc/22/33/95/206223395.db2.gz GIBOUZZZGJXKQA-MRVPVSSYSA-N 0 0 347.423 2.868 50 0 EFAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1Cl ZINC000100099545 206213664 /nfs/dbraw/zinc/21/36/64/206213664.db2.gz QACDKMVFVUKOML-TXEJJXNPSA-N 0 0 332.787 2.620 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 ZINC000000614630 206245706 /nfs/dbraw/zinc/24/57/06/206245706.db2.gz XLLPTNNPFHNWBE-CQSZACIVSA-N 0 0 328.368 2.757 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(N)s1 ZINC000000620258 206245758 /nfs/dbraw/zinc/24/57/58/206245758.db2.gz KHALLRBEMHSHGY-UHFFFAOYSA-N 0 0 330.822 2.513 50 0 EFAARN Cc1nnc(NC(=O)c2cccc(I)c2)s1 ZINC000000353975 206235464 /nfs/dbraw/zinc/23/54/64/206235464.db2.gz VDEMTXDVWCNCBV-UHFFFAOYSA-N 0 0 345.165 2.703 50 0 EFAARN Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1 ZINC000000406532 206239807 /nfs/dbraw/zinc/23/98/07/206239807.db2.gz MLZLSPNAYPQTFD-UHFFFAOYSA-N 0 0 334.788 2.666 50 0 EFAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc(F)cc1 ZINC000000466603 206241056 /nfs/dbraw/zinc/24/10/56/206241056.db2.gz CRHHNGOLFMMSTJ-UHFFFAOYSA-N 0 0 327.311 2.808 50 0 EFAARN Cc1cc(NC(=O)c2cccc(I)c2)no1 ZINC000000455651 206241608 /nfs/dbraw/zinc/24/16/08/206241608.db2.gz DLDVYLXJCOJYMQ-UHFFFAOYSA-N 0 0 328.109 2.840 50 0 EFAARN CCOC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000000862278 206254261 /nfs/dbraw/zinc/25/42/61/206254261.db2.gz QUNQUWQPFREBCG-UHFFFAOYSA-N 0 0 325.792 2.764 50 0 EFAARN CC(=O)N[C@H]1c2cc(C)ccc2N(CCCOc2ccccc2)C1=O ZINC000100650360 206254813 /nfs/dbraw/zinc/25/48/13/206254813.db2.gz WZGFQBOVUULRDY-IBGZPJMESA-N 0 0 338.407 2.988 50 0 EFAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccco1 ZINC000100873142 206256736 /nfs/dbraw/zinc/25/67/36/206256736.db2.gz VKNAKSHNWXFBMA-MSUUIHNZSA-N 0 0 332.381 2.692 50 0 EFAARN Cn1c2c(s/c1=N\C(=O)C1=COCCO1)c(Cl)ccc2Cl ZINC000100823871 206257772 /nfs/dbraw/zinc/25/77/72/206257772.db2.gz IRQGHDUXYITKHA-SSZFMOIBSA-N 0 0 345.207 2.862 50 0 EFAARN COc1ccc(/C=C/S(=O)(=O)NCc2ccccc2)cc1OC ZINC000001398401 206269969 /nfs/dbraw/zinc/26/99/69/206269969.db2.gz LJPKCXHBCBOOHN-ZHACJKMWSA-N 0 0 333.409 2.794 50 0 EFAARN COC(=O)c1cc(C)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1C ZINC000022637684 284526693 /nfs/dbraw/zinc/52/66/93/284526693.db2.gz XFUJMTDNXXBYHD-UHFFFAOYSA-N 0 0 341.392 2.847 50 0 EFAARN O=C(c1onc2c1CCCC2)N1CC(OCc2cccc(F)c2)C1 ZINC000426386969 247272522 /nfs/dbraw/zinc/27/25/22/247272522.db2.gz VRNXOQREGCYYKD-UHFFFAOYSA-N 0 0 330.359 2.734 50 0 EFAARN OCCn1ccc([C@H]2CCC[N@H+](Cc3cccc(O)c3Cl)C2)n1 ZINC000426389871 247274832 /nfs/dbraw/zinc/27/48/32/247274832.db2.gz QECUEAIMKBCYJF-ZDUSSCGKSA-N 0 0 335.835 2.614 50 0 EFAARN CO[C@]12CCN(C(=O)c3ncoc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426397623 247276120 /nfs/dbraw/zinc/27/61/20/247276120.db2.gz RPWRQUHPDBKDJI-RLFYNMQTSA-N 0 0 334.416 2.562 50 0 EFAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(Cl)c[nH]2)n1 ZINC000426401751 247276225 /nfs/dbraw/zinc/27/62/25/247276225.db2.gz LWWHDZJUWVMTPF-UHFFFAOYSA-N 0 0 332.713 2.758 50 0 EFAARN C[C@@H](C(=O)N(Cc1ccsc1)C1CCCC1)N1CCN(C)CC1 ZINC000426399436 247276511 /nfs/dbraw/zinc/27/65/11/247276511.db2.gz QOFFEPQAKKSQKF-HNNXBMFYSA-N 0 0 335.517 2.655 50 0 EFAARN COc1ccc(CN(C)C(=O)c2n[nH]c3c2CCC3)c2cccnc12 ZINC000426409324 247276943 /nfs/dbraw/zinc/27/69/43/247276943.db2.gz MTQIGXSNCWQPNO-UHFFFAOYSA-N 0 0 336.395 2.727 50 0 EFAARN Cc1cc(C)nc(CN(C)C(=O)NCCCNc2cccnc2)c1 ZINC000426422005 247279555 /nfs/dbraw/zinc/27/95/55/247279555.db2.gz QCXAZQDZBRTJAX-UHFFFAOYSA-N 0 0 327.432 2.737 50 0 EFAARN Cc1noc(C)c1CN1CCc2c(C(=O)NC3CC3)csc2C1 ZINC000426434120 247279941 /nfs/dbraw/zinc/27/99/41/247279941.db2.gz OJPXHXMZZZHOHF-UHFFFAOYSA-N 0 0 331.441 2.803 50 0 EFAARN Cc1ccc(-c2ccc(C(=O)NCC(=O)NC(C)C)cc2)c(C)n1 ZINC000426428391 247280033 /nfs/dbraw/zinc/28/00/33/247280033.db2.gz SDHNUQNHYGVLID-UHFFFAOYSA-N 0 0 325.412 2.620 50 0 EFAARN Cc1ncsc1CCCNC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000426471753 247282648 /nfs/dbraw/zinc/28/26/48/247282648.db2.gz ZTQUWQVEYGVXHD-UHFFFAOYSA-N 0 0 343.456 2.713 50 0 EFAARN O=C(NCc1ccncc1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000426473337 247283543 /nfs/dbraw/zinc/28/35/43/247283543.db2.gz BBMIHWLGFGOZEU-INIZCTEOSA-N 0 0 331.441 2.798 50 0 EFAARN CN1CCN(C(=O)c2ccc(-c3cccs3)cc2)C[C@H]1CCO ZINC000426465495 247283773 /nfs/dbraw/zinc/28/37/73/247283773.db2.gz SNVRGJZSMPMUEK-MRXNPFEDSA-N 0 0 330.453 2.554 50 0 EFAARN CN(C(=O)NCCSc1nncn1C)[C@H]1CCCc2ccccc21 ZINC000426465504 247284100 /nfs/dbraw/zinc/28/41/00/247284100.db2.gz UKPGOXIIXXWTBM-HNNXBMFYSA-N 0 0 345.472 2.626 50 0 EFAARN O=C([O-])Cn1nccc1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426477561 247284454 /nfs/dbraw/zinc/28/44/54/247284454.db2.gz LWRCXBBBDJBLET-VQRJYJFOSA-N 0 0 343.402 3.000 50 0 EFAARN Cc1ccccc1CCNC(=O)N(CCCO)Cc1cccnc1 ZINC000426490461 247286866 /nfs/dbraw/zinc/28/68/66/247286866.db2.gz OJKPTJKDUJXIQM-UHFFFAOYSA-N 0 0 327.428 2.527 50 0 EFAARN Cc1ccc(OCCN(C)C(=O)N[C@@H](C)CCn2cccn2)c(C)c1 ZINC000426489879 247286874 /nfs/dbraw/zinc/28/68/74/247286874.db2.gz HSWCUXDYDHYOHZ-KRWDZBQOSA-N 0 0 344.459 2.999 50 0 EFAARN C[C@H](C(=O)NCc1nc2ccccc2o1)c1n[nH]c(=O)c2ccccc21 ZINC000426493914 247287368 /nfs/dbraw/zinc/28/73/68/247287368.db2.gz CUCQXXMRFSLGQI-NSHDSACASA-N 0 0 348.362 2.897 50 0 EFAARN CCN(CCO)C(=O)c1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000426486070 247287463 /nfs/dbraw/zinc/28/74/63/247287463.db2.gz TVSXTCLXBRUGAZ-UHFFFAOYSA-N 0 0 327.380 2.595 50 0 EFAARN Cc1ccc2oc(=O)n(CC(=O)N[C@H]3COC4(C3)CCCCC4)c2c1 ZINC000426489676 247287625 /nfs/dbraw/zinc/28/76/25/247287625.db2.gz QHYHOMGNBLYJAU-CQSZACIVSA-N 0 0 344.411 2.511 50 0 EFAARN Cc1c[nH]c(CNC(=O)CCCC(=O)c2ccccc2)c(C)c1=O ZINC000426490271 247287860 /nfs/dbraw/zinc/28/78/60/247287860.db2.gz VOIIYBQXGXMNHH-UHFFFAOYSA-N 0 0 326.396 2.661 50 0 EFAARN CC(C)C[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000426511912 247290180 /nfs/dbraw/zinc/29/01/80/247290180.db2.gz ACJGNIJGPQGJMS-KRWDZBQOSA-N 0 0 347.459 2.663 50 0 EFAARN Cc1ncc(C(=O)NC[C@@H](O)c2ccc(O)cc2)c(-c2ccccc2)n1 ZINC000426509573 247290476 /nfs/dbraw/zinc/29/04/76/247290476.db2.gz VOCLLKANJBUZIX-GOSISDBHSA-N 0 0 349.390 2.621 50 0 EFAARN Cc1cc([C@H]2CCCN2C(=O)c2sc3[nH]cnc(=O)c3c2C)on1 ZINC000426506571 247290541 /nfs/dbraw/zinc/29/05/41/247290541.db2.gz GWWKQORMUPOKKY-SNVBAGLBSA-N 0 0 344.396 2.567 50 0 EFAARN Cc1cccnc1CCNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000426727471 247293518 /nfs/dbraw/zinc/29/35/18/247293518.db2.gz LQNUNCXYASUZIY-UHFFFAOYSA-N 0 0 329.448 2.795 50 0 EFAARN CC(C)OCCNC(=O)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000426734519 247294365 /nfs/dbraw/zinc/29/43/65/247294365.db2.gz PMGLXVUSQJOHCV-OAHLLOKOSA-N 0 0 326.462 2.628 50 0 EFAARN O=C([O-])Cn1ccc([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1 ZINC000426361651 247267205 /nfs/dbraw/zinc/26/72/05/247267205.db2.gz FBMOPKHLYNDBON-AUNFYEFLSA-N 0 0 325.412 2.861 50 0 EFAARN Cc1nc(C)n(CCCNC(=O)c2ccc(-c3nccs3)cc2)n1 ZINC000426368248 247269751 /nfs/dbraw/zinc/26/97/51/247269751.db2.gz IZDHVCNAKHLGBC-UHFFFAOYSA-N 0 0 341.440 2.839 50 0 EFAARN Cc1ncsc1CCCNC(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000426378243 247270821 /nfs/dbraw/zinc/27/08/21/247270821.db2.gz TXWXDSQUWRAGHE-OAHLLOKOSA-N 0 0 347.488 2.702 50 0 EFAARN CCn1ncc(CN(C)c2nc(C(C)C)nc3c2cnn3C)c1C ZINC000426372510 247271202 /nfs/dbraw/zinc/27/12/02/247271202.db2.gz SVKNURKAMQFTOL-UHFFFAOYSA-N 0 0 327.436 2.648 50 0 EFAARN CCOC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O ZINC000427062721 247312312 /nfs/dbraw/zinc/31/23/12/247312312.db2.gz HSOVIEIDYPFGKP-UHFFFAOYSA-N 0 0 329.396 2.893 50 0 EFAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1 ZINC000001774467 206322894 /nfs/dbraw/zinc/32/28/94/206322894.db2.gz FYVCOFXRBWDYKD-UHFFFAOYSA-N 0 0 328.412 2.856 50 0 EFAARN COc1ccc2[nH]cc(CCNS(=O)(=O)c3cccs3)c2c1 ZINC000008782546 206383378 /nfs/dbraw/zinc/38/33/78/206383378.db2.gz KDHURHQXTBQYSS-UHFFFAOYSA-N 0 0 336.438 2.759 50 0 EFAARN CCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000002680387 206412307 /nfs/dbraw/zinc/41/23/07/206412307.db2.gz CGSJTSGBUZWHRM-UHFFFAOYSA-N 0 0 338.363 2.710 50 0 EFAARN O=C(c1ccc[nH]1)N1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000216224799 296246395 /nfs/dbraw/zinc/24/63/95/296246395.db2.gz ZWDNMHHNUXAJGZ-QGZVFWFLSA-N 0 0 343.427 2.807 50 0 EFAARN O=C(c1ccccc1O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000436188 296262731 /nfs/dbraw/zinc/26/27/31/296262731.db2.gz GITNYGIPTKRVPM-HZMBPMFUSA-N 0 0 328.290 2.645 50 0 EFAARN O=C(N[C@@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1ccncc1 ZINC000169779545 206561168 /nfs/dbraw/zinc/56/11/68/206561168.db2.gz SRLZQAPXMYAHHB-CYBMUJFWSA-N 0 0 339.424 2.542 50 0 EFAARN Cc1cc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)nc(C)n1 ZINC000012093058 211289257 /nfs/dbraw/zinc/28/92/57/211289257.db2.gz DNZXLLBZGWPJEF-UHFFFAOYSA-N 0 0 339.439 2.551 50 0 EFAARN O=C(c1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F ZINC000000302714 284712333 /nfs/dbraw/zinc/71/23/33/284712333.db2.gz IDFOFXFCPZECRD-OAHLLOKOSA-N 0 0 335.285 2.583 50 0 EFAARN Cn1cnnc1CCNC(=O)c1sc2cccc(F)c2c1Cl ZINC000091426254 218003570 /nfs/dbraw/zinc/00/35/70/218003570.db2.gz JPABKASEWRGPKN-UHFFFAOYSA-N 0 0 338.795 2.795 50 0 EFAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000091435180 218005067 /nfs/dbraw/zinc/00/50/67/218005067.db2.gz ALYMOQWDNWWULX-UHFFFAOYSA-N 0 0 342.439 2.986 50 0 EFAARN CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1nnc(C)s1 ZINC000011694368 211237446 /nfs/dbraw/zinc/23/74/46/211237446.db2.gz KENFGGLMWHKXOM-UHFFFAOYSA-N 0 0 347.375 2.822 50 0 EFAARN CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NC[C@H]1CCCO1 ZINC000011694392 211236601 /nfs/dbraw/zinc/23/66/01/211236601.db2.gz CHJHRMLONQIGOO-OAHLLOKOSA-N 0 0 347.390 2.709 50 0 EFAARN Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1NS(C)(=O)=O ZINC000010112483 211149093 /nfs/dbraw/zinc/14/90/93/211149093.db2.gz MAUDKGNFDDDPQK-CYBMUJFWSA-N 0 0 344.436 2.958 50 0 EFAARN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000010112333 211148963 /nfs/dbraw/zinc/14/89/63/211148963.db2.gz WWPMMWXRDVEVHR-UHFFFAOYSA-N 0 0 349.408 2.981 50 0 EFAARN Cc1cc(C(=O)N2CCc3ccccc32)ccc1NS(C)(=O)=O ZINC000010112433 211148382 /nfs/dbraw/zinc/14/83/82/211148382.db2.gz YSDXZKZLBQTSSN-UHFFFAOYSA-N 0 0 330.409 2.569 50 0 EFAARN Cc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010110767 211148251 /nfs/dbraw/zinc/14/82/51/211148251.db2.gz VSGRTEQVEBTQFH-UHFFFAOYSA-N 0 0 347.436 2.677 50 0 EFAARN COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 ZINC000171462419 206707422 /nfs/dbraw/zinc/70/74/22/206707422.db2.gz XMZTXFPKWYSIKZ-NEPJUHHUSA-N 0 0 325.792 2.519 50 0 EFAARN CC[C@H](C(=O)NCc1nnnn1C1CCCCC1)c1ccccc1 ZINC000010594259 206714136 /nfs/dbraw/zinc/71/41/36/206714136.db2.gz PBZSTEODDWLHPP-INIZCTEOSA-N 0 0 327.432 2.988 50 0 EFAARN O=C1CCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000004727908 284798159 /nfs/dbraw/zinc/79/81/59/284798159.db2.gz BEGSTDWXNUUDOK-UHFFFAOYSA-N 0 0 327.405 2.611 50 0 EFAARN COc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2)cc(OC)c1O ZINC000011565662 206934153 /nfs/dbraw/zinc/93/41/53/206934153.db2.gz ZVFWENIXNYEEMC-NSHDSACASA-N 0 0 330.336 2.838 50 0 EFAARN Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O ZINC000011780811 206993326 /nfs/dbraw/zinc/99/33/26/206993326.db2.gz XFUOCUAOXPAYNC-UHFFFAOYSA-N 0 0 333.391 2.623 50 0 EFAARN Cc1nn(C)cc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000011932530 207028506 /nfs/dbraw/zinc/02/85/06/207028506.db2.gz WJKXWMRHKYDMHE-UHFFFAOYSA-N 0 0 332.835 2.653 50 0 EFAARN CO[C@H](CNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccccc1C ZINC000096105072 218598214 /nfs/dbraw/zinc/59/82/14/218598214.db2.gz VLJJRYRACHVATH-GOSISDBHSA-N 0 0 347.436 2.864 50 0 EFAARN Cc1ccc2nc(C)c(NC(=O)c3ccc(F)cc3F)c(=O)n2c1 ZINC000012180781 207068664 /nfs/dbraw/zinc/06/86/64/207068664.db2.gz DCSKUPUPBQVQNS-UHFFFAOYSA-N 0 0 329.306 2.842 50 0 EFAARN O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCCCCC1 ZINC000012168241 207069012 /nfs/dbraw/zinc/06/90/12/207069012.db2.gz JCVZLYAMFNQCSY-UHFFFAOYSA-N 0 0 326.396 2.970 50 0 EFAARN COc1cccc(OC)c1C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000012128531 207072444 /nfs/dbraw/zinc/07/24/44/207072444.db2.gz ATZPGVWNLYOVGY-UHFFFAOYSA-N 0 0 343.358 2.692 50 0 EFAARN COc1cc(OC)cc(C(=O)NCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000012128492 207072544 /nfs/dbraw/zinc/07/25/44/207072544.db2.gz GCHXCRCHVROTOA-UHFFFAOYSA-N 0 0 343.358 2.692 50 0 EFAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2cccnn2)CC1 ZINC000096119311 218611151 /nfs/dbraw/zinc/61/11/51/218611151.db2.gz JLPUKMVLRIRBMC-UHFFFAOYSA-N 0 0 348.406 2.951 50 0 EFAARN O=C(c1cncc(Br)c1)N1CCC2(CC1)OCCS2 ZINC000096120463 218612296 /nfs/dbraw/zinc/61/22/96/218612296.db2.gz NQTKVDRNXADIRC-UHFFFAOYSA-N 0 0 343.246 2.540 50 0 EFAARN O=C(CSc1nc2ccccc2o1)Nc1cnn([C@H]2CCOC2)c1 ZINC000096123001 218614787 /nfs/dbraw/zinc/61/47/87/218614787.db2.gz QVEYLPLOGBIBMQ-LBPRGKRZSA-N 0 0 344.396 2.717 50 0 EFAARN Cc1nc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)sc1C ZINC000175308143 207115051 /nfs/dbraw/zinc/11/50/51/207115051.db2.gz RKTWHUDOJVYZMT-LSDHHAIUSA-N 0 0 349.500 2.805 50 0 EFAARN COc1ccc(OC)c(COC[C@@H](O)Cn2cnc3ccccc32)c1 ZINC000012420299 207142906 /nfs/dbraw/zinc/14/29/06/207142906.db2.gz YKOGNTDXUFKLMK-HNNXBMFYSA-N 0 0 342.395 2.631 50 0 EFAARN Cc1ccc2nc3c(cc(C(=O)Nc4ccccc4)n3C)c(=O)n2c1 ZINC000012421556 207144116 /nfs/dbraw/zinc/14/41/16/207144116.db2.gz PPNNPTWVBVEJOO-UHFFFAOYSA-N 0 0 332.363 2.747 50 0 EFAARN COCC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cs1 ZINC000012441693 207144758 /nfs/dbraw/zinc/14/47/58/207144758.db2.gz BZPRCDSLEZSMQL-UHFFFAOYSA-N 0 0 328.397 2.889 50 0 EFAARN O=S(=O)(CCCOc1ccc(F)cc1)NCCc1ccccc1 ZINC000012440803 207145123 /nfs/dbraw/zinc/14/51/23/207145123.db2.gz SOFGCPHSAVALMF-UHFFFAOYSA-N 0 0 337.416 2.757 50 0 EFAARN CCOC(=O)N=c1[nH]c(CC(=O)NCc2ccc(C)cc2)cs1 ZINC000012440468 207145807 /nfs/dbraw/zinc/14/58/07/207145807.db2.gz REYIUWPTZVIRPK-UHFFFAOYSA-N 0 0 333.413 2.879 50 0 EFAARN O=C(Cc1cccs1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096366584 218746542 /nfs/dbraw/zinc/74/65/42/218746542.db2.gz OXYSRIOAIJFLFA-AWEZNQCLSA-N 0 0 349.477 2.756 50 0 EFAARN COc1ccccc1[C@@H](CNS(=O)(=O)c1cccc(C)c1)OC ZINC000096384856 218747053 /nfs/dbraw/zinc/74/70/53/218747053.db2.gz QFYRJKXJVIDXRV-QGZVFWFLSA-N 0 0 335.425 2.670 50 0 EFAARN COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)OC ZINC000096384514 218747563 /nfs/dbraw/zinc/74/75/63/218747563.db2.gz CYWOBNOOZHGRNB-KRWDZBQOSA-N 0 0 329.352 2.541 50 0 EFAARN COc1cccc(C(=O)NCCCn2ccc3cccnc32)c1OC ZINC000096353331 218745290 /nfs/dbraw/zinc/74/52/90/218745290.db2.gz HXAFGTWMGDQMQS-UHFFFAOYSA-N 0 0 339.395 2.874 50 0 EFAARN CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012651508 207187983 /nfs/dbraw/zinc/18/79/83/207187983.db2.gz XINHXIIPMADPEO-UHFFFAOYSA-N 0 0 341.411 2.837 50 0 EFAARN COc1ccc(-c2cc(CC(=O)Nc3nnc(C)s3)no2)cc1 ZINC000012867187 207253578 /nfs/dbraw/zinc/25/35/78/207253578.db2.gz RXUOXOZLPPEWST-UHFFFAOYSA-N 0 0 330.369 2.691 50 0 EFAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CO)c(C)c3cc12 ZINC000012894167 207259545 /nfs/dbraw/zinc/25/95/45/207259545.db2.gz UDRPTTKZECELMZ-NSHDSACASA-N 0 0 343.379 2.586 50 0 biogenic EFAARN O=C1Nc2ccccc2[C@]12OC[C@@H](COc1ccc(Cl)cc1)O2 ZINC000000307360 284943872 /nfs/dbraw/zinc/94/38/72/284943872.db2.gz ZNRLOLUWIKRVBI-CXAGYDPISA-N 0 0 331.755 2.939 50 0 EFAARN O=C(/C=C/c1cccs1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000013294466 207376297 /nfs/dbraw/zinc/37/62/97/207376297.db2.gz LUHZNJUAQAZEQE-CMDGGOBGSA-N 0 0 348.449 2.940 50 0 EFAARN COCCN(Cc1ccoc1)S(=O)(=O)c1cccc2cccnc21 ZINC000207976106 207452215 /nfs/dbraw/zinc/45/22/15/207452215.db2.gz RHQAYFVYIUOGJQ-UHFFFAOYSA-N 0 0 346.408 2.665 50 0 EFAARN Cc1cc(-c2nnc(NC(=O)CCSc3ccccc3)o2)nn1C ZINC000013591977 207476890 /nfs/dbraw/zinc/47/68/90/207476890.db2.gz BGMCFJIADYYZSC-UHFFFAOYSA-N 0 0 343.412 2.899 50 0 EFAARN O=C1c2cc(Br)ccc2-n2c1nc1ccccc1c2=O ZINC000004090603 285013944 /nfs/dbraw/zinc/01/39/44/285013944.db2.gz INPHXCCBDRGBRF-UHFFFAOYSA-N 0 0 327.137 2.693 50 0 biogenic EFAARN Cc1cc(C)n(-c2cccc(-c3ccccc3S(N)(=O)=O)c2)n1 ZINC000096162553 291857153 /nfs/dbraw/zinc/85/71/53/291857153.db2.gz ZWPHURLGNCHYTC-UHFFFAOYSA-N 0 0 327.409 2.804 50 0 EFAARN O=C1NCCC[C@]12CCN(c1ncc(Cl)cc1C(F)(F)F)C2 ZINC000091779900 296371480 /nfs/dbraw/zinc/37/14/80/296371480.db2.gz WMOVFZUUNDLGML-CYBMUJFWSA-N 0 0 333.741 2.860 50 0 EFAARN CCN(Cc1cnn(CC)c1)C(=O)[C@H](c1cccc(C)c1)N(C)C ZINC000092081385 285127633 /nfs/dbraw/zinc/12/76/33/285127633.db2.gz YCEBRCXUTRBLMV-SFHVURJKSA-N 0 0 328.460 2.863 50 0 EFAARN O=C1N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc21 ZINC000006745787 296387778 /nfs/dbraw/zinc/38/77/78/296387778.db2.gz XJXYOCFQUVXSOX-AWEZNQCLSA-N 0 0 345.196 2.742 50 0 EFAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nccc(-c3ccc(F)cc3)c12 ZINC000009576226 285195277 /nfs/dbraw/zinc/19/52/77/285195277.db2.gz KKGHMSSHUHAXRW-UHFFFAOYSA-N 0 0 347.349 2.939 50 0 EFAARN O=c1/c(=C\c2ccco2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000000373538 285193590 /nfs/dbraw/zinc/19/35/90/285193590.db2.gz RTANQIQUZGPBQP-XYOKQWHBSA-N 0 0 329.768 2.612 50 0 EFAARN COCCn1ccc2c1cccc2OCC(=O)NCCc1ccco1 ZINC000263587534 257841932 /nfs/dbraw/zinc/84/19/32/257841932.db2.gz HWNAXNWHXXVJGJ-UHFFFAOYSA-N 0 0 342.395 2.618 50 0 EFAARN CC(C)C[C@H](C(=O)NCc1nc(-c2ccncc2)no1)n1cccc1 ZINC000263587234 257842039 /nfs/dbraw/zinc/84/20/39/257842039.db2.gz DSGFFBPLCKZGQL-OAHLLOKOSA-N 0 0 339.399 2.837 50 0 EFAARN CSCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1cccc1 ZINC000524729010 257843163 /nfs/dbraw/zinc/84/31/63/257843163.db2.gz PABDGGHZVVETBN-NUJGCVRESA-N 0 0 336.501 2.936 50 0 biogenic EFAARN CCCc1nnsc1C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000049031109 257853925 /nfs/dbraw/zinc/85/39/25/257853925.db2.gz BUBUCBIVIRLDHQ-UHFFFAOYSA-N 0 0 328.397 2.893 50 0 EFAARN COCc1cc(=O)[nH]c2cc(NC(=O)c3cc(C4CC4)on3)ccc12 ZINC000049031167 257853927 /nfs/dbraw/zinc/85/39/27/257853927.db2.gz FFHSQEPYYOXUSW-UHFFFAOYSA-N 0 0 339.351 2.792 50 0 EFAARN O=C(NCCc1cccs1)N1CCN(C(=O)c2cccs2)CC1 ZINC000053554907 257950598 /nfs/dbraw/zinc/95/05/98/257950598.db2.gz ZQTHJMSWUCQSDO-UHFFFAOYSA-N 0 0 349.481 2.520 50 0 EFAARN Cc1c(CCNC(=O)N2CCC[C@H](O)C2)c2cccc3c2n1CCC3 ZINC000426584844 257952619 /nfs/dbraw/zinc/95/26/19/257952619.db2.gz RMMCBCAVESFDLA-INIZCTEOSA-N 0 0 341.455 2.605 50 0 EFAARN COCC1(N(C)C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000426739787 257956593 /nfs/dbraw/zinc/95/65/93/257956593.db2.gz QFKRRAPCEXHWOR-UHFFFAOYSA-N 0 0 326.780 2.769 50 0 EFAARN COc1ccc(Cn2cc(-c3ncc(F)c(N(C)C)n3)cn2)cc1 ZINC000426690691 257958276 /nfs/dbraw/zinc/95/82/76/257958276.db2.gz ORGKSLSZBHDKGR-UHFFFAOYSA-N 0 0 327.363 2.602 50 0 EFAARN Cc1cc(C)n(-c2cccc(-c3nccc(N4CCC[C@@H](O)C4)n3)c2)n1 ZINC000426584697 257962427 /nfs/dbraw/zinc/96/24/27/257962427.db2.gz MLIGASYFZGNKCT-GOSISDBHSA-N 0 0 349.438 2.907 50 0 EFAARN Cc1nnc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)[nH]1 ZINC000426533769 257964736 /nfs/dbraw/zinc/96/47/36/257964736.db2.gz INNYHUHKPJGRKF-OAHLLOKOSA-N 0 0 340.362 2.620 50 0 EFAARN Cc1cc(C(=O)N(C)CCc2ncon2)c2cccc(Cl)c2n1 ZINC000426526297 257965071 /nfs/dbraw/zinc/96/50/71/257965071.db2.gz UIFDHUJEFDKHED-UHFFFAOYSA-N 0 0 330.775 2.894 50 0 EFAARN Nc1cnc(-c2ccc(C(=O)NC3(CO)CCCCCC3)cc2)cn1 ZINC000426523704 257965113 /nfs/dbraw/zinc/96/51/13/257965113.db2.gz RKJLLALNTIFGBJ-UHFFFAOYSA-N 0 0 340.427 2.541 50 0 EFAARN CC[C@@H](C)Oc1ccccc1NC(=O)NCCN1CCCOC1=O ZINC000426420057 257968552 /nfs/dbraw/zinc/96/85/52/257968552.db2.gz VQPNOBORVWKVCC-CYBMUJFWSA-N 0 0 335.404 2.828 50 0 EFAARN Cc1csc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n1 ZINC000299769319 258083190 /nfs/dbraw/zinc/08/31/90/258083190.db2.gz WOAPCKOTXWPEKX-LBPRGKRZSA-N 0 0 348.424 2.697 50 0 EFAARN O=C(CCc1[nH]nc2c1CCCC2)NCCc1nc2ccccc2o1 ZINC000299769276 258083249 /nfs/dbraw/zinc/08/32/49/258083249.db2.gz LJPUDLHRCYHMLC-UHFFFAOYSA-N 0 0 338.411 2.721 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000299775091 258085831 /nfs/dbraw/zinc/08/58/31/258085831.db2.gz JVZVTTLBUXRORX-QGZVFWFLSA-N 0 0 327.428 2.649 50 0 EFAARN COc1ccc2c(c1)[C@@H](C)N(C(=O)c1nnc3n1CCCCC3)CC2 ZINC000299776147 258086680 /nfs/dbraw/zinc/08/66/80/258086680.db2.gz KKHNVLGLQQMLBY-CYBMUJFWSA-N 0 0 340.427 2.773 50 0 EFAARN Cc1nc(SCCNC(=O)[C@]2(c3ccc(C)cc3)CC2(C)C)n[nH]1 ZINC000299778200 258087826 /nfs/dbraw/zinc/08/78/26/258087826.db2.gz MFRGVZWCEGOHNH-GOSISDBHSA-N 0 0 344.484 2.998 50 0 EFAARN CC[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cc(C)ccn1 ZINC000299777916 258087922 /nfs/dbraw/zinc/08/79/22/258087922.db2.gz PDPYAHFVBZZOST-QGZVFWFLSA-N 0 0 345.487 2.992 50 0 EFAARN Cc1ccccc1CN(CCO)C(=O)Nc1cc(C(C)C)nn1C ZINC000299780931 258089616 /nfs/dbraw/zinc/08/96/16/258089616.db2.gz BEBWIDNXFZCIFD-UHFFFAOYSA-N 0 0 330.432 2.878 50 0 EFAARN Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000299781714 258090019 /nfs/dbraw/zinc/09/00/19/258090019.db2.gz USJXQWQYYUHBIB-OAHLLOKOSA-N 0 0 342.399 2.750 50 0 EFAARN Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000299781688 258090079 /nfs/dbraw/zinc/09/00/79/258090079.db2.gz USJXQWQYYUHBIB-HNNXBMFYSA-N 0 0 342.399 2.750 50 0 EFAARN CCCn1cc(NC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)nn1 ZINC000299782212 258090699 /nfs/dbraw/zinc/09/06/99/258090699.db2.gz URPOBDLSDJBIBL-UHFFFAOYSA-N 0 0 347.810 2.882 50 0 EFAARN COc1ccc([C@@]2(C(=O)NCCn3cnc(C)c3C)CC2(C)C)cc1 ZINC000299782861 258091041 /nfs/dbraw/zinc/09/10/41/258091041.db2.gz QORMTFHXBICHPW-HXUWFJFHSA-N 0 0 341.455 2.993 50 0 EFAARN CC(C)C1=NO[C@@H](C(=O)NCCOc2cccc3cccnc32)C1 ZINC000299783266 258091426 /nfs/dbraw/zinc/09/14/26/258091426.db2.gz ZPGBDGYVUHBGEW-MRXNPFEDSA-N 0 0 327.384 2.531 50 0 EFAARN COCC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2nccs2)c1 ZINC000299783772 258091744 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CC(=O)NCCc1nc(-c2ccc(Cl)cc2)nn1CC(F)(F)F ZINC000095498083 473213313 /nfs/dbraw/zinc/21/33/13/473213313.db2.gz URCBPKRUHFDSPC-UHFFFAOYSA-N 0 0 346.740 2.839 50 0 EFAARN O=C1C[C@H](Cc2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 ZINC000095497822 473213398 /nfs/dbraw/zinc/21/33/98/473213398.db2.gz OWHOGDQKAIXDES-HNNXBMFYSA-N 0 0 334.379 2.723 50 0 EFAARN Cc1cc(C)cc(CN2CCN(c3cccc([C@H](C)O)n3)CC2=O)c1 ZINC000095497237 473213846 /nfs/dbraw/zinc/21/38/46/473213846.db2.gz GKIQRQCDUCBDGQ-INIZCTEOSA-N 0 0 339.439 2.601 50 0 EFAARN CC(C)Cc1nc(CN(C)C(=O)[C@H]2CCOc3ccccc3C2)no1 ZINC000095500161 473214289 /nfs/dbraw/zinc/21/42/89/473214289.db2.gz DTOLVVBGIWJJKK-HNNXBMFYSA-N 0 0 343.427 2.868 50 0 EFAARN COc1cccn(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1=O ZINC000095501062 473214330 /nfs/dbraw/zinc/21/43/30/473214330.db2.gz MBUKWYAEDDEQDP-MRXNPFEDSA-N 0 0 344.386 2.750 50 0 EFAARN O=C(NC[C@H]1CCc2ccccc2O1)Nc1ccnn1CC1CC1 ZINC000095500049 473214435 /nfs/dbraw/zinc/21/44/35/473214435.db2.gz ATGYZEFKFFYAGM-OAHLLOKOSA-N 0 0 326.400 2.808 50 0 EFAARN CC(C)[NH+]1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000095500002 473214553 /nfs/dbraw/zinc/21/45/53/473214553.db2.gz OVAVTGVVKYRSQY-HNNXBMFYSA-N 0 0 338.835 2.702 50 0 EFAARN CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H]1COc2ccccc2C1 ZINC000095502163 473214767 /nfs/dbraw/zinc/21/47/67/473214767.db2.gz DITZCJNSLSIAAT-QGZVFWFLSA-N 0 0 327.428 2.656 50 0 EFAARN Cn1ccc2ccc(C(=O)NC[C@@H](CO)Cc3ccsc3)cc21 ZINC000095503462 473214925 /nfs/dbraw/zinc/21/49/25/473214925.db2.gz LPBMJPSAQMDZMC-AWEZNQCLSA-N 0 0 328.437 2.821 50 0 EFAARN COc1ccc2c(c1)OC[C@H](CNC(=O)c1c(F)cccc1OC)C2 ZINC000095501694 473215087 /nfs/dbraw/zinc/21/50/87/473215087.db2.gz PEXCRGUSCMDEEA-LBPRGKRZSA-N 0 0 345.370 2.824 50 0 EFAARN CCc1c(C)nn(C)c1NC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000095506816 473215422 /nfs/dbraw/zinc/21/54/22/473215422.db2.gz XVIKFQLADVCPFF-ZDUSSCGKSA-N 0 0 344.415 2.643 50 0 EFAARN Cn1ccnc1C1CCN(C(=O)CCCOc2ccccc2)CC1 ZINC000095509231 473216413 /nfs/dbraw/zinc/21/64/13/473216413.db2.gz KSOIXVXUFPOLRB-UHFFFAOYSA-N 0 0 327.428 2.985 50 0 EFAARN CCc1ccccc1[C@@H](C(=O)[O-])[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000095509634 473216824 /nfs/dbraw/zinc/21/68/24/473216824.db2.gz VRTSVSKQKFTJMD-SFHVURJKSA-N 0 0 344.455 2.709 50 0 EFAARN CCC[NH+]1CCC(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000095510162 473217024 /nfs/dbraw/zinc/21/70/24/473217024.db2.gz LKBDKOGDTUPWJK-KRWDZBQOSA-N 0 0 336.407 2.580 50 0 EFAARN O=C(c1cccnc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095510281 473217169 /nfs/dbraw/zinc/21/71/69/473217169.db2.gz PEOOALWMNNQULA-GOSISDBHSA-N 0 0 347.422 2.741 50 0 EFAARN Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc2n[nH]nc2c1)C1CC1 ZINC000095515387 473217792 /nfs/dbraw/zinc/21/77/92/473217792.db2.gz MAOSRQYFCJLMHE-UHFFFAOYSA-N 0 0 339.403 2.505 50 0 EFAARN CC(C)c1nccn1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000095517380 473217908 /nfs/dbraw/zinc/21/79/08/473217908.db2.gz FXZMSECSQZLKBT-ZDUSSCGKSA-N 0 0 329.400 2.655 50 0 EFAARN Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2cccnc2)N2CCCC2)c1 ZINC000095521694 473218486 /nfs/dbraw/zinc/21/84/86/473218486.db2.gz APVOQYKZDYYTEZ-LJQANCHMSA-N 0 0 338.455 2.889 50 0 EFAARN O=C(NCc1noc(-c2ccco2)n1)[C@@H]1CCOc2ccccc2C1 ZINC000095518973 473219229 /nfs/dbraw/zinc/21/92/29/473219229.db2.gz OYMXTDSOGYPINI-CYBMUJFWSA-N 0 0 339.351 2.587 50 0 EFAARN Cc1noc2nc(C)cc(C(=O)N3CCC[C@@H](c4nccn4C)C3)c12 ZINC000095523590 473219714 /nfs/dbraw/zinc/21/97/14/473219714.db2.gz BTFGGFJOYHKANT-CYBMUJFWSA-N 0 0 339.399 2.593 50 0 EFAARN CCSc1nc(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000095524773 473220394 /nfs/dbraw/zinc/22/03/94/473220394.db2.gz BWWBPRWOHPDLLY-LLVKDONJSA-N 0 0 336.486 2.927 50 0 EFAARN CCN(C(=O)Cn1c(=O)ccc2ccccc21)[C@H]1CCOC(C)(C)C1 ZINC000095524318 473220403 /nfs/dbraw/zinc/22/04/03/473220403.db2.gz QKFROVWBKKHYQY-INIZCTEOSA-N 0 0 342.439 2.808 50 0 EFAARN COc1ccccc1OC1CN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000095527078 473220834 /nfs/dbraw/zinc/22/08/34/473220834.db2.gz NSVRTFGTWDETIN-OAHLLOKOSA-N 0 0 339.391 2.536 50 0 EFAARN COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 ZINC000095527691 473220969 /nfs/dbraw/zinc/22/09/69/473220969.db2.gz QTDJWUNXBXGZLX-CQSZACIVSA-N 0 0 346.431 2.661 50 0 EFAARN Cc1nn(C)c2nc(N3CCC[C@H](OCc4cccnc4)C3)sc12 ZINC000095527355 473221261 /nfs/dbraw/zinc/22/12/61/473221261.db2.gz QQIBOECIVNPZMO-AWEZNQCLSA-N 0 0 343.456 2.919 50 0 EFAARN O=C(CCNC(=O)[C@H]1CCOc2ccccc2C1)NC1CCCCC1 ZINC000095529702 473221339 /nfs/dbraw/zinc/22/13/39/473221339.db2.gz KNVJPFHIPNDLQE-INIZCTEOSA-N 0 0 344.455 2.583 50 0 EFAARN CSCCc1nc([C@@H](C)n2cncn2)n(-c2ccccc2C)n1 ZINC000095527700 473221361 /nfs/dbraw/zinc/22/13/61/473221361.db2.gz GYPXAVCIGQIBJB-CYBMUJFWSA-N 0 0 328.445 2.682 50 0 EFAARN CCc1nn(C)c(NC(=O)N2CCOCC2)c1-c1ccc(F)cc1 ZINC000095531659 473221617 /nfs/dbraw/zinc/22/16/17/473221617.db2.gz YPEYOQOIRZFROO-UHFFFAOYSA-N 0 0 332.379 2.653 50 0 EFAARN O=C(c1cc[nH]c1)N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000095530641 473222002 /nfs/dbraw/zinc/22/20/02/473222002.db2.gz OQVNPESGNPWOMJ-UHFFFAOYSA-N 0 0 335.411 2.674 50 0 EFAARN CN(Cc1cnc2ccccn12)C(=O)[C@@H]1CCOc2ccccc2C1 ZINC000095531807 473222291 /nfs/dbraw/zinc/22/22/91/473222291.db2.gz WKDIWNMKSXQRCQ-MRXNPFEDSA-N 0 0 335.407 2.934 50 0 EFAARN CN(Cc1cnc2ccccn12)C(=O)[C@H]1CCOc2ccccc2C1 ZINC000095531808 473222330 /nfs/dbraw/zinc/22/23/30/473222330.db2.gz WKDIWNMKSXQRCQ-INIZCTEOSA-N 0 0 335.407 2.934 50 0 EFAARN Cc1ccc(CN(CCO)C(=O)[C@H](C)n2ccnc2C(C)C)s1 ZINC000095530598 473222353 /nfs/dbraw/zinc/22/23/53/473222353.db2.gz NJQWHNNFHPSHRT-AWEZNQCLSA-N 0 0 335.473 2.959 50 0 EFAARN Cc1nc([C@@H]2CN(Cc3ccc(F)c4cccnc34)CCO2)no1 ZINC000095958034 473230485 /nfs/dbraw/zinc/23/04/85/473230485.db2.gz ZWIPHTVDXRRYGN-HNNXBMFYSA-N 0 0 328.347 2.639 50 0 EFAARN O=C(N[C@H]1CCc2n[nH]cc2C1)c1csc(Cc2ccccc2)n1 ZINC000082091546 473285760 /nfs/dbraw/zinc/28/57/60/473285760.db2.gz WOUFFFLPUAJPAT-AWEZNQCLSA-N 0 0 338.436 2.744 50 0 EFAARN COCc1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)o1 ZINC000082091753 473286573 /nfs/dbraw/zinc/28/65/73/473286573.db2.gz BYNAHGRUCAAJGM-OAHLLOKOSA-N 0 0 330.384 2.642 50 0 EFAARN Nc1cc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)ncn1 ZINC000082092180 473286579 /nfs/dbraw/zinc/28/65/79/473286579.db2.gz RPOIHTDVTFRICR-MRXNPFEDSA-N 0 0 334.427 2.688 50 0 EFAARN COc1ccc(F)c(F)c1CN1CCC(Cc2nncn2C)CC1 ZINC000082097174 473287665 /nfs/dbraw/zinc/28/76/65/473287665.db2.gz XAPJPIHYLLTJOB-UHFFFAOYSA-N 0 0 336.386 2.557 50 0 EFAARN Cc1cn2cc(C(=O)N[C@@H](C)c3nc(-c4ccncc4)no3)ccc2n1 ZINC000082097112 473287711 /nfs/dbraw/zinc/28/77/11/473287711.db2.gz CDYYAPQIQILORO-LBPRGKRZSA-N 0 0 348.366 2.579 50 0 EFAARN O=C(CCCn1cncn1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000082097607 473287766 /nfs/dbraw/zinc/28/77/66/473287766.db2.gz QOQYRPGCJPIQOQ-QGZVFWFLSA-N 0 0 342.443 2.778 50 0 EFAARN CC(C)c1cc(C(=O)N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)no1 ZINC000082093084 473288087 /nfs/dbraw/zinc/28/80/87/473288087.db2.gz NRMWCVOWKFMJQC-GFCCVEGCSA-N 0 0 347.802 2.987 50 0 EFAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ncnn1C ZINC000082097099 473288171 /nfs/dbraw/zinc/28/81/71/473288171.db2.gz BRPOPPRSVADWFW-HNNXBMFYSA-N 0 0 325.372 2.597 50 0 EFAARN Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(C)n1 ZINC000082092581 473288221 /nfs/dbraw/zinc/28/82/21/473288221.db2.gz RDWCUPBRDPPSEX-MRXNPFEDSA-N 0 0 339.443 2.720 50 0 EFAARN CSc1nnc(CC2CCN(C(=O)C3CCCCC3)CC2)n1C ZINC000082100253 473288979 /nfs/dbraw/zinc/28/89/79/473288979.db2.gz KTXNNROKCJEBBS-UHFFFAOYSA-N 0 0 336.505 2.898 50 0 EFAARN O=C(Cc1cn2ccsc2n1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000082106569 473289507 /nfs/dbraw/zinc/28/95/07/473289507.db2.gz NNZNFGYLZOGQRK-OAHLLOKOSA-N 0 0 343.456 2.606 50 0 EFAARN CCCn1ncc(C(=O)N2CCCC[C@H]2CCn2cccn2)c1C ZINC000082109112 473290314 /nfs/dbraw/zinc/29/03/14/473290314.db2.gz ADDHSLJCQWLGKG-INIZCTEOSA-N 0 0 329.448 2.883 50 0 EFAARN CNc1ncc(CN(C)C(=O)c2cc(C)nc3c(C)cccc23)cn1 ZINC000082108443 473290765 /nfs/dbraw/zinc/29/07/65/473290765.db2.gz IULLXBAMPVHMHV-UHFFFAOYSA-N 0 0 335.411 2.956 50 0 EFAARN Cn1nc2c(c1C(=O)N1CCCC[C@H]1CCn1ccnc1)CCCC2 ZINC000082114322 473291106 /nfs/dbraw/zinc/29/11/06/473291106.db2.gz JQDMLLLULMCZPN-HNNXBMFYSA-N 0 0 341.459 2.580 50 0 EFAARN C[C@H](c1cccc(-c2nccc(NCC(=O)[O-])n2)c1)[NH+]1CCCC1 ZINC000534590198 468267431 /nfs/dbraw/zinc/26/74/31/468267431.db2.gz PQESARMMGFSDKP-CYBMUJFWSA-N 0 0 326.400 2.797 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1CCn1ccnc1 ZINC000082108337 473291229 /nfs/dbraw/zinc/29/12/29/473291229.db2.gz ODTUURWBELGSNU-QGZVFWFLSA-N 0 0 343.475 2.637 50 0 EFAARN Cc1ncsc1CCC(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000082115903 473291353 /nfs/dbraw/zinc/29/13/53/473291353.db2.gz IMSMMIBKJQFLHV-INIZCTEOSA-N 0 0 345.468 2.987 50 0 EFAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000082114583 473291378 /nfs/dbraw/zinc/29/13/78/473291378.db2.gz WPNHIMOVNZBYRB-QGZVFWFLSA-N 0 0 348.406 2.895 50 0 EFAARN CC(C)Cc1cc(C(=O)NC[C@H](O)c2ccccc2Cl)n(C)n1 ZINC000082119951 473291752 /nfs/dbraw/zinc/29/17/52/473291752.db2.gz FOMFWPYPKVDAJS-INIZCTEOSA-N 0 0 335.835 2.735 50 0 EFAARN CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000082121405 473291771 /nfs/dbraw/zinc/29/17/71/473291771.db2.gz TYFHBCWHQRLPGK-GOSISDBHSA-N 0 0 344.455 2.591 50 0 EFAARN COc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)c(F)c1F ZINC000082119913 473292054 /nfs/dbraw/zinc/29/20/54/473292054.db2.gz FXUYNWNBXKTTSY-NSHDSACASA-N 0 0 335.354 2.727 50 0 EFAARN O=C([O-])C1(Oc2cccc(F)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000082121444 473292278 /nfs/dbraw/zinc/29/22/78/473292278.db2.gz ZCYOXLFNIVNVDJ-UHFFFAOYSA-N 0 0 330.359 2.719 50 0 EFAARN CC(=O)c1ccc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)s1 ZINC000082120081 473292405 /nfs/dbraw/zinc/29/24/05/473292405.db2.gz KJRZRBIOLUMAKQ-UHFFFAOYSA-N 0 0 342.380 2.668 50 0 EFAARN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000082121406 473292742 /nfs/dbraw/zinc/29/27/42/473292742.db2.gz TYFHBCWHQRLPGK-SFHVURJKSA-N 0 0 344.455 2.591 50 0 EFAARN Cc1nc(C2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)cc(=O)[nH]1 ZINC000082120282 473292756 /nfs/dbraw/zinc/29/27/56/473292756.db2.gz HSPVSRFZWOABJZ-QGZVFWFLSA-N 0 0 337.423 2.514 50 0 EFAARN COc1cccc(N2CCN(Cc3ccc(F)c(OC)c3)CC2=O)c1 ZINC000082120657 473293127 /nfs/dbraw/zinc/29/31/27/473293127.db2.gz JIZDGVIZZMKFHW-UHFFFAOYSA-N 0 0 344.386 2.692 50 0 EFAARN CC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000082121189 473293163 /nfs/dbraw/zinc/29/31/63/473293163.db2.gz HKHDGQMVKSRNBH-LJQANCHMSA-N 0 0 344.455 2.606 50 0 EFAARN O=C([O-])[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000082127563 473294574 /nfs/dbraw/zinc/29/45/74/473294574.db2.gz SNDVZTNQTVQNLF-ZDUSSCGKSA-N 0 0 329.400 2.593 50 0 EFAARN Cc1nc(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc(=O)[nH]1 ZINC000082136971 473294616 /nfs/dbraw/zinc/29/46/16/473294616.db2.gz SMZUNDJGURCXGP-UHFFFAOYSA-N 0 0 349.793 2.891 50 0 EFAARN CC(C)N1C[C@@H](n2ccnc2-c2ccc3c(c2)OCCO3)CC1=O ZINC000082127823 473293856 /nfs/dbraw/zinc/29/38/56/473293856.db2.gz ZZSJBNZBWRAXOT-AWEZNQCLSA-N 0 0 327.384 2.503 50 0 EFAARN Cc1nc2ccccc2n1CCC(=O)N1Cc2ccccc2[C@H](O)C1 ZINC000082127339 473294040 /nfs/dbraw/zinc/29/40/40/473294040.db2.gz JAUWQTCDAUQONO-LJQANCHMSA-N 0 0 335.407 2.811 50 0 EFAARN CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000082126255 473294066 /nfs/dbraw/zinc/29/40/66/473294066.db2.gz MUGAOXHCBHNUCJ-UHFFFAOYSA-N 0 0 342.365 2.677 50 0 EFAARN CSc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000082125513 473294342 /nfs/dbraw/zinc/29/43/42/473294342.db2.gz UIRODIDCMCCBMK-QGZVFWFLSA-N 0 0 348.512 2.664 50 0 EFAARN CC(=O)Nc1ccc(C(=O)N2CCC(Oc3ccccn3)CC2)cc1 ZINC000096096844 473294437 /nfs/dbraw/zinc/29/44/37/473294437.db2.gz RNTXNEJGRNWXPG-UHFFFAOYSA-N 0 0 339.395 2.724 50 0 EFAARN O=C(CSCc1ccccc1)Nc1cc(-n2cccn2)ncn1 ZINC000096097985 473294481 /nfs/dbraw/zinc/29/44/81/473294481.db2.gz FMEOMXTUUPQYDX-UHFFFAOYSA-N 0 0 325.397 2.534 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)o1 ZINC000082135820 473294738 /nfs/dbraw/zinc/29/47/38/473294738.db2.gz JDFSOSHMYRXGEC-OAHLLOKOSA-N 0 0 329.400 2.762 50 0 EFAARN O=C(/C=C/c1ccccc1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096098126 473294843 /nfs/dbraw/zinc/29/48/43/473294843.db2.gz UCWJIYUKDAVXCO-DXRVJIQQSA-N 0 0 341.432 2.775 50 0 EFAARN COc1ccc(N2CCN(C(=O)c3ccsc3)[C@H](C)C2=O)cc1 ZINC000082138368 473295350 /nfs/dbraw/zinc/29/53/50/473295350.db2.gz YLDWOVFYXUHENA-GFCCVEGCSA-N 0 0 330.409 2.634 50 0 EFAARN Cc1cnc(C(=O)N2CCC(c3nc4c(cccc4C)[nH]3)CC2)cn1 ZINC000082138261 473295500 /nfs/dbraw/zinc/29/55/00/473295500.db2.gz BXQIKAKGWDMOKN-UHFFFAOYSA-N 0 0 335.411 2.990 50 0 EFAARN COc1ccccc1OC1CN(C(=O)Cc2ccc(N(C)C)cc2)C1 ZINC000082139078 473296309 /nfs/dbraw/zinc/29/63/09/473296309.db2.gz SSDXBUZEYXXNBT-UHFFFAOYSA-N 0 0 340.423 2.594 50 0 EFAARN Cc1nccn1CC1CCN(C(=O)c2cc(CC(C)C)nn2C)CC1 ZINC000082147005 473296350 /nfs/dbraw/zinc/29/63/50/473296350.db2.gz HYHKUNDCZNKEDL-UHFFFAOYSA-N 0 0 343.475 2.676 50 0 EFAARN COc1cc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)ccn1 ZINC000082146898 473296376 /nfs/dbraw/zinc/29/63/76/473296376.db2.gz QHRHOQXFIABILN-INIZCTEOSA-N 0 0 340.427 2.717 50 0 EFAARN CSc1ccccc1C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000082138308 473296479 /nfs/dbraw/zinc/29/64/79/473296479.db2.gz UXRDTPVCNRCBRR-HNNXBMFYSA-N 0 0 334.485 2.735 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1=O ZINC000082139022 473296507 /nfs/dbraw/zinc/29/65/07/473296507.db2.gz XSDUSQDHKYZNKD-UHFFFAOYSA-N 0 0 333.391 2.965 50 0 EFAARN COc1ccc(N2CCN(C(=O)c3ccc(F)cc3C)CC2=O)cc1 ZINC000082156512 473296920 /nfs/dbraw/zinc/29/69/20/473296920.db2.gz AQAZYXQVIDOVFO-UHFFFAOYSA-N 0 0 342.370 2.632 50 0 EFAARN CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2F)cc1 ZINC000096103189 473297181 /nfs/dbraw/zinc/29/71/81/473297181.db2.gz KKPPETWFSXWUSO-AWEZNQCLSA-N 0 0 341.429 2.560 50 0 EFAARN CO[C@H](CNS(=O)(=O)CCc1ccccc1)c1ccc(C)s1 ZINC000096104790 473297293 /nfs/dbraw/zinc/29/72/93/473297293.db2.gz RNNMDZPLDBFMBN-OAHLLOKOSA-N 0 0 339.482 2.906 50 0 EFAARN Cc1ccc(N2CCN(C(=O)c3c(F)ccc(F)c3F)CC2=O)cc1 ZINC000082161947 473297379 /nfs/dbraw/zinc/29/73/79/473297379.db2.gz XNNCYPNSLITJKY-UHFFFAOYSA-N 0 0 348.324 2.901 50 0 EFAARN CO[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccccc1C ZINC000096105144 473297381 /nfs/dbraw/zinc/29/73/81/473297381.db2.gz VDKMDDRMCHSWQG-MRXNPFEDSA-N 0 0 348.349 2.716 50 0 EFAARN O=C(Nc1cnn(C2CCOCC2)c1)c1cc2ccccc2oc1=O ZINC000096104597 473297734 /nfs/dbraw/zinc/29/77/34/473297734.db2.gz BZNDEXBIAJKDJT-UHFFFAOYSA-N 0 0 339.351 2.593 50 0 EFAARN COCC1(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)CCC1 ZINC000082156368 473297864 /nfs/dbraw/zinc/29/78/64/473297864.db2.gz GQXPOOQLJPQYTQ-UHFFFAOYSA-N 0 0 333.428 2.882 50 0 EFAARN O=C(NCCc1ccc(O)cc1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096113880 473304930 /nfs/dbraw/zinc/30/49/30/473304930.db2.gz RESVRFQSAYPXRL-UHFFFAOYSA-N 0 0 349.390 2.690 50 0 biogenic EFAARN O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cccnc1 ZINC000096121434 473306386 /nfs/dbraw/zinc/30/63/86/473306386.db2.gz IUFSVKIHNUPAQE-UHFFFAOYSA-N 0 0 347.422 2.649 50 0 EFAARN COCC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119729 473306740 /nfs/dbraw/zinc/30/67/40/473306740.db2.gz BBDPIQFGESTDPH-UHFFFAOYSA-N 0 0 329.381 2.974 50 0 EFAARN O=C(c1nc2ccccc2s1)N1CCC(Oc2cccnn2)CC1 ZINC000096119340 473307189 /nfs/dbraw/zinc/30/71/89/473307189.db2.gz VHJMDSMQDJVFTH-UHFFFAOYSA-N 0 0 340.408 2.770 50 0 EFAARN O=C(NCc1ccc(F)cc1)c1noc(-c2ccc3c(c2)OCO3)n1 ZINC000096125468 473308691 /nfs/dbraw/zinc/30/86/91/473308691.db2.gz OVQGUAPHLUSZCV-UHFFFAOYSA-N 0 0 341.298 2.534 50 0 EFAARN C[C@@]1(O)CCN(C(=O)CCc2ccc(-c3ccccc3)cc2)C[C@@H]1O ZINC000096133226 473310155 /nfs/dbraw/zinc/31/01/55/473310155.db2.gz KYPPCPCJTQXVRC-PZJWPPBQSA-N 0 0 339.435 2.630 50 0 EFAARN COc1ccc2c(c1)[C@H](NC(=O)Nc1cnns1)CC(C)(C)O2 ZINC000096135926 473310956 /nfs/dbraw/zinc/31/09/56/473310956.db2.gz PTSZQMIXZHSWAO-LLVKDONJSA-N 0 0 334.401 2.971 50 0 EFAARN Cc1nc(-c2nc([C@@H]3COCCO3)n(-c3ccc(F)cc3)n2)cs1 ZINC000096135724 473311045 /nfs/dbraw/zinc/31/10/45/473311045.db2.gz SVGFMJGMIMSEKZ-AWEZNQCLSA-N 0 0 346.387 2.926 50 0 EFAARN Cc1ccc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cn1 ZINC000096138186 473311071 /nfs/dbraw/zinc/31/10/71/473311071.db2.gz BLSUVYNNQKMGOR-UHFFFAOYSA-N 0 0 334.466 2.795 50 0 EFAARN C[C@@H]1Cc2cc(NC(=O)N(C)Cc3[nH]nc4c3CCC4)ccc2O1 ZINC000096138389 473311447 /nfs/dbraw/zinc/31/14/47/473311447.db2.gz JZFSGIRZPVGCFI-LLVKDONJSA-N 0 0 326.400 2.886 50 0 EFAARN Cc1nc(-c2nc([C@H]3COCCO3)n(-c3ccc(F)cc3)n2)cs1 ZINC000096135725 473311742 /nfs/dbraw/zinc/31/17/42/473311742.db2.gz SVGFMJGMIMSEKZ-CQSZACIVSA-N 0 0 346.387 2.926 50 0 EFAARN O=S1(=O)CC[C@@H](c2nc(-c3ccncc3)nn2C2CCCCC2)C1 ZINC000096139274 473311874 /nfs/dbraw/zinc/31/18/74/473311874.db2.gz RVJMQYHNPXCLOP-CQSZACIVSA-N 0 0 346.456 2.747 50 0 EFAARN COc1cc(N2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)nc(N)n1 ZINC000096139497 473311993 /nfs/dbraw/zinc/31/19/93/473311993.db2.gz NUGPRCZYRMFOBB-LBPRGKRZSA-N 0 0 338.415 2.636 50 0 EFAARN CSCCc1nc(-c2ccn3nnnc3c2)n(C2CCCCC2)n1 ZINC000096141719 473312251 /nfs/dbraw/zinc/31/22/51/473312251.db2.gz SZAKMTAHMFLLOD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/31/53/48/473315348.db2.gz GXPRLUKHNCSMLH-UHFFFAOYSA-N 0 0 337.383 2.729 50 0 EFAARN CCNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(-c2ccccn2)c1 ZINC000096153446 473316479 /nfs/dbraw/zinc/31/64/79/473316479.db2.gz LGDPMYLOCXEXFM-KRWDZBQOSA-N 0 0 338.411 2.881 50 0 EFAARN CCc1c(C)nn(CCNC(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000096162092 473320481 /nfs/dbraw/zinc/32/04/81/473320481.db2.gz FNAFPYUQVRSIMD-UHFFFAOYSA-N 0 0 344.415 2.655 50 0 EFAARN CCOc1ccc(NC(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000096164091 473320809 /nfs/dbraw/zinc/32/08/09/473320809.db2.gz XDGBIPCSEQPHNC-DYVFJYSZSA-N 0 0 345.399 2.761 50 0 EFAARN COCCc1noc([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 ZINC000096164129 473321547 /nfs/dbraw/zinc/32/15/47/473321547.db2.gz GWAQLUKLJZHIGI-AWEZNQCLSA-N 0 0 329.400 2.902 50 0 EFAARN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)Cc2ccncc2)C3)c1 ZINC000096163771 473321771 /nfs/dbraw/zinc/32/17/71/473321771.db2.gz AGHOSCUXKHYZSS-UHFFFAOYSA-N 0 0 348.406 2.608 50 0 EFAARN Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)OCCO3)N(C)C)o1 ZINC000096163872 473321784 /nfs/dbraw/zinc/32/17/84/473321784.db2.gz BZFWVFWUJDVOPW-AWEZNQCLSA-N 0 0 345.399 2.784 50 0 EFAARN CCc1nc(CCNC(=O)Nc2ccc3c(c2)oc(=O)n3C)cs1 ZINC000096180236 473322753 /nfs/dbraw/zinc/32/27/53/473322753.db2.gz KRNBTATXGJWWPE-UHFFFAOYSA-N 0 0 346.412 2.515 50 0 EFAARN CSCCc1nc(-c2cccc(C(F)(F)F)c2)n(CCO)n1 ZINC000096180271 473323079 /nfs/dbraw/zinc/32/30/79/473323079.db2.gz MVLBHZCJPOANOP-UHFFFAOYSA-N 0 0 331.363 2.862 50 0 EFAARN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C(=O)CC(C)C)C3)c1 ZINC000096180364 473323414 /nfs/dbraw/zinc/32/34/14/473323414.db2.gz UJTINDKKMWDUPQ-UHFFFAOYSA-N 0 0 341.411 2.585 50 0 EFAARN COc1ccc(-c2ccccc2)cc1NC(=O)N1CCOC[C@H]1CO ZINC000096161013 473320357 /nfs/dbraw/zinc/32/03/57/473320357.db2.gz OCWTWCJKMGXWOY-MRXNPFEDSA-N 0 0 342.395 2.587 50 0 EFAARN CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(C(F)(F)F)ncn2)C1 ZINC000083315719 473339532 /nfs/dbraw/zinc/33/95/32/473339532.db2.gz KZIBDILKNONISF-SECBINFHSA-N 0 0 332.326 2.599 50 0 EFAARN Cc1csc(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)n1 ZINC000096223776 473354851 /nfs/dbraw/zinc/35/48/51/473354851.db2.gz XOHJBTRIAYQHDX-UHFFFAOYSA-N 0 0 328.401 2.938 50 0 EFAARN Cc1noc(C)c1C(=O)N[C@@H](CC(C)C)c1nnc2ccccn21 ZINC000096223994 473356378 /nfs/dbraw/zinc/35/63/78/473356378.db2.gz FASWVMSFKNTCLO-ZDUSSCGKSA-N 0 0 327.388 2.851 50 0 EFAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc43)C2)cc1 ZINC000096344901 473374528 /nfs/dbraw/zinc/37/45/28/473374528.db2.gz SCWAXXCORBYKQB-CYBMUJFWSA-N 0 0 334.379 2.863 50 0 EFAARN COc1ccc2c(ccn2CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000096343854 473375572 /nfs/dbraw/zinc/37/55/72/473375572.db2.gz BOUVCCVVUXMFJW-OXJNMPFZSA-N 0 0 342.439 2.804 50 0 biogenic EFAARN O=C(c1cc(C2CC2)on1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000096367498 473376388 /nfs/dbraw/zinc/37/63/88/473376388.db2.gz UAFQEIYFAZMEQX-IBGZPJMESA-N 0 0 338.363 2.802 50 0 EFAARN CSc1ccccc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C ZINC000096362280 473376406 /nfs/dbraw/zinc/37/64/06/473376406.db2.gz DNVCGMVZQIRRPM-QGZVFWFLSA-N 0 0 342.464 2.864 50 0 EFAARN O=C(Nc1cccs1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096377646 473376595 /nfs/dbraw/zinc/37/65/95/473376595.db2.gz BBPGHSRUZGCSBZ-UHFFFAOYSA-N 0 0 340.401 2.577 50 0 EFAARN CN1CCc2cc([C@@H](O)CNC(=O)c3c(F)cccc3Cl)ccc21 ZINC000096362307 473376853 /nfs/dbraw/zinc/37/68/53/473376853.db2.gz FCKLOQIJMUUUNX-INIZCTEOSA-N 0 0 348.805 2.935 50 0 EFAARN COc1ccccc1[C@H](CNS(=O)(=O)c1cccc(C)c1)OC ZINC000096384855 473377436 /nfs/dbraw/zinc/37/74/36/473377436.db2.gz QFYRJKXJVIDXRV-KRWDZBQOSA-N 0 0 335.425 2.670 50 0 EFAARN COc1cccc([C@@H](CNC(=O)c2cc(OC)cc(OC)c2)OC)c1 ZINC000096389912 473377987 /nfs/dbraw/zinc/37/79/87/473377987.db2.gz OISAADVQCCBLLE-GOSISDBHSA-N 0 0 345.395 2.830 50 0 EFAARN COc1ccc(C(=O)NC[C@@H](OC)c2ccccc2OC)cc1F ZINC000096384809 473378081 /nfs/dbraw/zinc/37/80/81/473378081.db2.gz KTYJMJLGDUJJKH-QGZVFWFLSA-N 0 0 333.359 2.960 50 0 EFAARN COc1ccccc1[C@@H](CNC(=O)c1ccc2nsnc2c1)OC ZINC000096384573 473378137 /nfs/dbraw/zinc/37/81/37/473378137.db2.gz DXEJUXHEZXSOTH-MRXNPFEDSA-N 0 0 343.408 2.817 50 0 EFAARN COc1cccc([C@H](CNC(=O)c2cccc(N(C)C)c2)OC)c1 ZINC000096389832 473378316 /nfs/dbraw/zinc/37/83/16/473378316.db2.gz XZYTVVAFDYBNFN-SFHVURJKSA-N 0 0 328.412 2.879 50 0 EFAARN COc1cccc([C@H](CNS(=O)(=O)Cc2cccc(C)c2)OC)c1 ZINC000096390204 473379517 /nfs/dbraw/zinc/37/95/17/473379517.db2.gz RMOCDJMNFQGAJI-SFHVURJKSA-N 0 0 349.452 2.811 50 0 EFAARN CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000000030497 471317389 /nfs/dbraw/zinc/31/73/89/471317389.db2.gz QXDKEVPMNFLNRR-UHFFFAOYSA-N 0 0 336.391 2.720 50 0 EFAARN COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c(OC)c1 ZINC000000031030 471317433 /nfs/dbraw/zinc/31/74/33/471317433.db2.gz DHDOAQRWZIJIPG-UHFFFAOYSA-N 0 0 328.368 2.939 50 0 EFAARN CCOC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000055717 471318729 /nfs/dbraw/zinc/31/87/29/471318729.db2.gz YSXGTWQHCFHNGJ-INIZCTEOSA-N 0 0 327.336 2.642 50 0 aggregator EFAARN CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C(=O)OC)c1C ZINC000000038693 471318951 /nfs/dbraw/zinc/31/89/51/471318951.db2.gz JMPWFRBPRWYOTE-UHFFFAOYSA-N 0 0 339.291 2.521 50 0 EFAARN CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000000044748 471319067 /nfs/dbraw/zinc/31/90/67/471319067.db2.gz CBVXHYOXOKNSOI-ZDUSSCGKSA-N 0 0 341.386 2.883 50 0 EFAARN O=C(c1cccnc1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000000069788 471319609 /nfs/dbraw/zinc/31/96/09/471319609.db2.gz SUYMDQIIVHEGDV-RISCZKNCSA-N 0 0 327.306 2.725 50 0 EFAARN Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000000068388 471319807 /nfs/dbraw/zinc/31/98/07/471319807.db2.gz OSCLNPFTMMNMGO-UHFFFAOYSA-N 0 0 337.423 2.635 50 0 EFAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(C)=O ZINC000000069254 471319883 /nfs/dbraw/zinc/31/98/83/471319883.db2.gz WZSKLTVIGWVEKR-XNTDXEJSSA-N 0 0 337.331 2.965 50 0 EFAARN Cc1nc(N)ncc1-c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000000068619 471319929 /nfs/dbraw/zinc/31/99/29/471319929.db2.gz RGBJQYJSMTZURL-UHFFFAOYSA-N 0 0 329.367 2.677 50 0 EFAARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1OC ZINC000000069711 471319964 /nfs/dbraw/zinc/31/99/64/471319964.db2.gz NGZCQSQYVHZGON-OAHLLOKOSA-N 0 0 348.399 2.531 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2ncnc2N1 ZINC000000065510 471320002 /nfs/dbraw/zinc/32/00/02/471320002.db2.gz DIYAPRKJTQHPFK-QGZVFWFLSA-N 0 0 347.378 2.911 50 0 EFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000000080155 471320418 /nfs/dbraw/zinc/32/04/18/471320418.db2.gz YWZRWJBWEKJUAH-CYBMUJFWSA-N 0 0 340.326 2.821 50 0 EFAARN Cc1cccc(N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)c1 ZINC000000082954 471320454 /nfs/dbraw/zinc/32/04/54/471320454.db2.gz FLXMJEBISROPJA-GOSISDBHSA-N 0 0 333.391 2.992 50 0 EFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1OC(F)F ZINC000000080151 471321101 /nfs/dbraw/zinc/32/11/01/471321101.db2.gz YWZRWJBWEKJUAH-ZDUSSCGKSA-N 0 0 340.326 2.821 50 0 EFAARN Cc1nc2ccc(Cc3ccc4nc(C)oc(=O)c4c3)cc2c(=O)o1 ZINC000000088011 471321705 /nfs/dbraw/zinc/32/17/05/471321705.db2.gz FWACJXSHEZUCSG-UHFFFAOYSA-N 0 0 334.331 2.897 50 0 EFAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)N1CCOCC1 ZINC000000089237 471322264 /nfs/dbraw/zinc/32/22/64/471322264.db2.gz VCOBTJLIULPNRF-UHFFFAOYSA-N 0 0 349.481 2.521 50 0 EFAARN Nc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000000098832 471323400 /nfs/dbraw/zinc/32/34/00/471323400.db2.gz BMAXHAYPZCLHNX-UHFFFAOYSA-N 0 0 348.410 2.760 50 0 EFAARN COc1ccc(CNC(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000000099867 471323415 /nfs/dbraw/zinc/32/34/15/471323415.db2.gz DIYLLPPXPJCVLY-UHFFFAOYSA-N 0 0 339.347 2.740 50 0 EFAARN COC(=O)CCC(=O)c1oc2ccc(Br)cc2c1N ZINC000000105420 471323956 /nfs/dbraw/zinc/32/39/56/471323956.db2.gz FKMIASWZTUXLNT-UHFFFAOYSA-N 0 0 326.146 2.913 50 0 aggregator EFAARN Cn1nc(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000000117439 471325113 /nfs/dbraw/zinc/32/51/13/471325113.db2.gz HRXZKNPWPDMECN-UHFFFAOYSA-N 0 0 327.771 2.768 50 0 EFAARN COc1cc(-c2nnn(Cc3ccccc3C)n2)cc(OC)c1OC ZINC000000117705 471325450 /nfs/dbraw/zinc/32/54/50/471325450.db2.gz FHOLBKHWEDCGDV-UHFFFAOYSA-N 0 0 340.383 2.723 50 0 EFAARN Cc1cc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)no1 ZINC000000128822 471326206 /nfs/dbraw/zinc/32/62/06/471326206.db2.gz MHJXWXVJOUVQLA-UHFFFAOYSA-N 0 0 332.307 2.831 50 0 EFAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1cccnc1 ZINC000000126669 471326308 /nfs/dbraw/zinc/32/63/08/471326308.db2.gz YMLUBXUSVZNJQP-UHFFFAOYSA-N 0 0 348.380 2.667 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000000121213 471326533 /nfs/dbraw/zinc/32/65/33/471326533.db2.gz GFBWTSXBUQECMI-UHFFFAOYSA-N 0 0 332.381 2.648 50 0 EFAARN Cc1nonc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000000135790 471326758 /nfs/dbraw/zinc/32/67/58/471326758.db2.gz SUOQRLZLLBMLCU-UHFFFAOYSA-N 0 0 347.371 2.913 50 0 EFAARN CCOC(=O)COc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000000132003 471326786 /nfs/dbraw/zinc/32/67/86/471326786.db2.gz CXMQXJDDVHJZQQ-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1OC ZINC000000130887 471327326 /nfs/dbraw/zinc/32/73/26/471327326.db2.gz XQRNMIAVPXQLSS-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN CCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2 ZINC000000130334 471327410 /nfs/dbraw/zinc/32/74/10/471327410.db2.gz YBTJGSXNEBTJFA-UHFFFAOYSA-N 0 0 336.457 2.838 50 0 EFAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NC1CCCCC1 ZINC000000145951 471327681 /nfs/dbraw/zinc/32/76/81/471327681.db2.gz CKFHQXLJAYDYGM-UHFFFAOYSA-N 0 0 345.468 2.786 50 0 EFAARN CCOC(=O)[C@H](C)Oc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000145858 471327778 /nfs/dbraw/zinc/32/77/78/471327778.db2.gz QMVWOSBCJAFHHB-AWEZNQCLSA-N 0 0 327.380 2.947 50 0 EFAARN Nc1nonc1-c1noc(COc2ccc(Cl)cc2Cl)n1 ZINC000000139558 471328509 /nfs/dbraw/zinc/32/85/09/471328509.db2.gz BMNBLHLWBSOGPA-UHFFFAOYSA-N 0 0 328.115 2.588 50 0 EFAARN CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000000154980 471328994 /nfs/dbraw/zinc/32/89/94/471328994.db2.gz ONUFESLQCSAYKA-UHFFFAOYSA-N 0 0 330.171 2.880 50 0 endogenous,in-man EFAARN CCOC(=O)c1cn2nc(Oc3ccc(NC(C)=O)cc3)ccc2n1 ZINC000000158110 471328999 /nfs/dbraw/zinc/32/89/99/471328999.db2.gz DHEFOYFYUMQCMK-UHFFFAOYSA-N 0 0 340.339 2.657 50 0 EFAARN COc1ccccc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000000149876 471329161 /nfs/dbraw/zinc/32/91/61/471329161.db2.gz GAXJXRHILVOAPI-UHFFFAOYSA-N 0 0 343.408 2.722 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3nccs3)ccc12 ZINC000000150852 471329391 /nfs/dbraw/zinc/32/93/91/471329391.db2.gz YZIMHCVKTQWEEE-JTQLQIEISA-N 0 0 330.365 2.964 50 0 EFAARN COc1ccc(OC[C@@H](O)CNC(=O)Nc2cc(F)ccc2C)cc1 ZINC000000151763 471329498 /nfs/dbraw/zinc/32/94/98/471329498.db2.gz YEIAMYCXYJDHMY-AWEZNQCLSA-N 0 0 348.374 2.704 50 0 EFAARN CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O ZINC000000149045 471329559 /nfs/dbraw/zinc/32/95/59/471329559.db2.gz VRUYZQVRGWGPMI-UHFFFAOYSA-N 0 0 328.276 2.782 50 0 EFAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 ZINC000000171151 471330057 /nfs/dbraw/zinc/33/00/57/471330057.db2.gz SOJRKYAERVYDJB-UHFFFAOYSA-N 0 0 342.873 2.912 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/nfs/dbraw/zinc/33/34/86/471333486.db2.gz XNCFQQMJNORXIT-KRWDZBQOSA-N 0 0 326.396 2.609 50 0 EFAARN Cc1ccc(C)c(NC(=O)C[C@H]([NH2+]CCc2ccccc2)C(=O)[O-])c1 ZINC000000195891 471333715 /nfs/dbraw/zinc/33/37/15/471333715.db2.gz HRFFQABSYDYFQV-SFHVURJKSA-N 0 0 340.423 2.918 50 0 EFAARN Cc1ccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)cc1 ZINC000000201435 471333766 /nfs/dbraw/zinc/33/37/66/471333766.db2.gz ZIGZGVIRYXZJGJ-UHFFFAOYSA-N 0 0 342.420 2.899 50 0 EFAARN Cc1ccc(C)c(NC(=O)C[C@@H]([NH2+]CCc2ccccc2)C(=O)[O-])c1 ZINC000000195893 471333785 /nfs/dbraw/zinc/33/37/85/471333785.db2.gz HRFFQABSYDYFQV-GOSISDBHSA-N 0 0 340.423 2.918 50 0 EFAARN COC(=O)c1sccc1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000000204791 471334320 /nfs/dbraw/zinc/33/43/20/471334320.db2.gz BVHZUWZELODLOO-UHFFFAOYSA-N 0 0 329.333 2.893 50 0 EFAARN CC1=NN(C(=O)COc2ccc(Cl)cc2C)[C@](O)(C(F)F)C1 ZINC000000204604 471334640 /nfs/dbraw/zinc/33/46/40/471334640.db2.gz HQCHCQXSAWBMMB-CQSZACIVSA-N 0 0 332.734 2.589 50 0 EFAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 ZINC000000202715 471334895 /nfs/dbraw/zinc/33/48/95/471334895.db2.gz ZDMDHVWPDBIHJU-KPZWWZAWSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000203743 471334999 /nfs/dbraw/zinc/33/49/99/471334999.db2.gz SFNLEQTVDYCSEZ-KRWDZBQOSA-N 0 0 344.455 2.950 50 0 EFAARN CN1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000000213275 471335557 /nfs/dbraw/zinc/33/55/57/471335557.db2.gz QKGONMGEFYJKEZ-UHFFFAOYSA-N 0 0 328.363 2.976 50 0 EFAARN CCOC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000209738 471335735 /nfs/dbraw/zinc/33/57/35/471335735.db2.gz OPFMXCUBPAGBSO-UHFFFAOYSA-N 0 0 336.273 2.987 50 0 EFAARN Cc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 ZINC000000217171 471337139 /nfs/dbraw/zinc/33/71/39/471337139.db2.gz UWINIRDSRYERHQ-UHFFFAOYSA-N 0 0 327.413 2.780 50 0 EFAARN Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)cn1 ZINC000000215016 471337204 /nfs/dbraw/zinc/33/72/04/471337204.db2.gz XDRJARBMBBCYIX-UHFFFAOYSA-N 0 0 349.110 2.849 50 0 EFAARN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000000237722 471338510 /nfs/dbraw/zinc/33/85/10/471338510.db2.gz PEZAEACZGKFENE-UHFFFAOYSA-N 0 0 332.425 2.752 50 0 EFAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(N)=O)cc1OC ZINC000000240271 471338677 /nfs/dbraw/zinc/33/86/77/471338677.db2.gz MNWFLOKVZCJLOJ-UHFFFAOYSA-N 0 0 340.335 2.801 50 0 EFAARN CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O ZINC000000224962 471339175 /nfs/dbraw/zinc/33/91/75/471339175.db2.gz YPWNSXQPCWOPEZ-UHFFFAOYSA-N 0 0 325.320 2.673 50 0 EFAARN COc1ccc(C(=O)N2NC(C(C)C)=C[C@]2(O)C(F)(F)F)cc1 ZINC000000248856 471340513 /nfs/dbraw/zinc/34/05/13/471340513.db2.gz KHZVFHIBUUYCJT-AWEZNQCLSA-N 0 0 330.306 2.804 50 0 EFAARN C[C@@H]1CCc2sc3nc(Cc4ccccc4)n(N)c(=O)c3c2C1 ZINC000000242538 471340549 /nfs/dbraw/zinc/34/05/49/471340549.db2.gz SXGXQWUYLLEZRJ-LLVKDONJSA-N 0 0 325.437 2.887 50 0 EFAARN Nc1ccc(Br)cc1[C@H]([NH2+]CC(=O)[O-])c1ccccc1 ZINC000000265658 471341294 /nfs/dbraw/zinc/34/12/94/471341294.db2.gz XKMGHXXIKZRCSP-OAHLLOKOSA-N 0 0 335.201 2.795 50 0 EFAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCOCC3)cc12 ZINC000000267442 471341898 /nfs/dbraw/zinc/34/18/98/471341898.db2.gz QKZNLMOXLNYCRJ-UHFFFAOYSA-N 0 0 327.409 2.868 50 0 EFAARN O=C(NCc1ccncc1)c1cccc(I)c1 ZINC000000288057 471343361 /nfs/dbraw/zinc/34/33/61/471343361.db2.gz NPWDAYAYATYIJM-UHFFFAOYSA-N 0 0 338.148 2.616 50 0 EFAARN CC(C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000000284388 471343583 /nfs/dbraw/zinc/34/35/83/471343583.db2.gz BPIHFUAWAAISIS-UHFFFAOYSA-N 0 0 346.452 2.791 50 0 EFAARN O=S(=O)(NCCc1ccccc1)c1ccc(Br)cc1 ZINC000000299481 471344602 /nfs/dbraw/zinc/34/46/02/471344602.db2.gz VFOBSMYKUKRMRR-UHFFFAOYSA-N 0 0 340.242 2.970 50 0 EFAARN O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000302369 471344844 /nfs/dbraw/zinc/34/48/44/471344844.db2.gz IBKROSLURNUKDB-WFASDCNBSA-N 0 0 326.318 2.868 50 0 EFAARN CCc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1 ZINC000000303115 471345124 /nfs/dbraw/zinc/34/51/24/471345124.db2.gz 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/nfs/dbraw/zinc/34/75/08/471347508.db2.gz KKKQTBYFLNZJNO-KRWDZBQOSA-N 0 0 340.379 2.603 50 0 EFAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000000318274 471348296 /nfs/dbraw/zinc/34/82/96/471348296.db2.gz FMZNEUBNXALYMY-UHFFFAOYSA-N 0 0 347.350 2.671 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000000318694 471348681 /nfs/dbraw/zinc/34/86/81/471348681.db2.gz KWRZBMUBRCKHSD-UHFFFAOYSA-N 0 0 345.326 2.580 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000320905 471348707 /nfs/dbraw/zinc/34/87/07/471348707.db2.gz IWJVOQVXEOHSJJ-BJMVGYQFSA-N 0 0 336.800 2.639 50 0 EFAARN CC1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2)C1C(=O)OC(C)C ZINC000000350795 471349435 /nfs/dbraw/zinc/34/94/35/471349435.db2.gz IQXAPZHGUDKNHI-ZDUSSCGKSA-N 0 0 333.779 2.567 50 0 EFAARN CCCC(=O)NC(=S)Nc1ccc(I)cc1 ZINC000000358656 471350731 /nfs/dbraw/zinc/35/07/31/471350731.db2.gz FOBDODKXTFEOBS-UHFFFAOYSA-N 0 0 348.209 2.904 50 0 EFAARN O=C(N[C@@H]1CSC[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000000356622 471350816 /nfs/dbraw/zinc/35/08/16/471350816.db2.gz PGAMNPSQOQDEBO-HZPDHXFCSA-N 0 0 327.405 2.757 50 0 biogenic EFAARN CCOC(=O)c1c2c(sc1NC(=O)c1cnccn1)CCCC2 ZINC000000354864 471350981 /nfs/dbraw/zinc/35/09/81/471350981.db2.gz XHYATQSILDRMDN-UHFFFAOYSA-N 0 0 331.397 2.846 50 0 EFAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000000374182 471351740 /nfs/dbraw/zinc/35/17/40/471351740.db2.gz MGUHTKLXZYHHBR-LBPRGKRZSA-N 0 0 338.232 2.761 50 0 EFAARN CCn1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 ZINC000000372051 471351766 /nfs/dbraw/zinc/35/17/66/471351766.db2.gz LFOSWTDPJRFJKT-UHFFFAOYSA-N 0 0 333.413 2.882 50 0 EFAARN Cc1cccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)c1 ZINC000000361585 471351905 /nfs/dbraw/zinc/35/19/05/471351905.db2.gz WRDWTDOWGUAPRQ-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2-n2cccc2)N1 ZINC000000374311 471352005 /nfs/dbraw/zinc/35/20/05/471352005.db2.gz ACAAARRHTVKSKR-OAHLLOKOSA-N 0 0 337.301 2.950 50 0 EFAARN Cc1cccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)c1 ZINC000000368264 471352107 /nfs/dbraw/zinc/35/21/07/471352107.db2.gz GRSQYWATKPHARJ-UHFFFAOYSA-N 0 0 345.453 2.978 50 0 EFAARN COc1ccc(OC)c(-c2csc(N3CCC(C(N)=O)CC3)n2)c1 ZINC000000381873 471352530 /nfs/dbraw/zinc/35/25/30/471352530.db2.gz MKUBSGNRQDCFTG-UHFFFAOYSA-N 0 0 347.440 2.529 50 0 EFAARN Cc1nn(C)c(C(=O)Nc2ccc(Br)cn2)c1Cl ZINC000000376116 471352598 /nfs/dbraw/zinc/35/25/98/471352598.db2.gz GQZNQGDFHJDWNT-UHFFFAOYSA-N 0 0 329.585 2.792 50 0 EFAARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccccc2)cc1 ZINC000000376888 471352853 /nfs/dbraw/zinc/35/28/53/471352853.db2.gz OCYNCNWHCGSPGK-WBVHZDCISA-N 0 0 339.347 2.716 50 0 EFAARN CCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000000378847 471352896 /nfs/dbraw/zinc/35/28/96/471352896.db2.gz PUIFNVKVHZDTMH-UHFFFAOYSA-N 0 0 342.395 2.519 50 0 EFAARN COc1cccc(OC)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000000380469 471352989 /nfs/dbraw/zinc/35/29/89/471352989.db2.gz QXJUSLLCORUJGY-UHFFFAOYSA-N 0 0 344.386 2.805 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccco2)cc1Br ZINC000000378897 471353049 /nfs/dbraw/zinc/35/30/49/471353049.db2.gz JUCWBHOPEHILDH-UHFFFAOYSA-N 0 0 346.202 2.529 50 0 EFAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1cccc(F)c1 ZINC000000390090 471353857 /nfs/dbraw/zinc/35/38/57/471353857.db2.gz FJAIZYBCMGOEPH-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc(F)cc1 ZINC000000389236 471353883 /nfs/dbraw/zinc/35/38/83/471353883.db2.gz VAAOWWWPCOOIQA-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000387168 471354062 /nfs/dbraw/zinc/35/40/62/471354062.db2.gz YPHGRBAAQQEBGR-MRVPVSSYSA-N 0 0 343.754 2.816 50 0 EFAARN CC(=O)Oc1ccccc1[C@@H]1OC(c2ccc(F)cc2)=NN1C(C)=O ZINC000000385458 471354129 /nfs/dbraw/zinc/35/41/29/471354129.db2.gz ZYSJDBSPPLEOFA-SFHVURJKSA-N 0 0 342.326 2.990 50 0 EFAARN COc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 ZINC000000390754 471354394 /nfs/dbraw/zinc/35/43/94/471354394.db2.gz MPKRUCQTXHSTIN-UHFFFAOYSA-N 0 0 343.770 2.697 50 0 EFAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccccc1F ZINC000000390759 471354982 /nfs/dbraw/zinc/35/49/82/471354982.db2.gz KWKONHZIGLSHBM-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN CCOC1(OCC)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000401361 471355058 /nfs/dbraw/zinc/35/50/58/471355058.db2.gz SCAAUTBEKADMFW-UHFFFAOYSA-N 0 0 327.446 2.549 50 0 EFAARN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1cccs1)C(=O)C2 ZINC000000415918 471355536 /nfs/dbraw/zinc/35/55/36/471355536.db2.gz SMCLQQCYKFXBOX-NHYWBVRUSA-N 0 0 327.471 2.563 50 0 EFAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000000422611 471357858 /nfs/dbraw/zinc/35/78/58/471357858.db2.gz XSZQIRGYPKPRJV-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN COC(=O)c1sc(=S)n(-c2cc(OC)ccc2OC)c1N ZINC000000425193 471358237 /nfs/dbraw/zinc/35/82/37/471358237.db2.gz WIWNAQSDFKFPDL-UHFFFAOYSA-N 0 0 326.399 2.654 50 0 EFAARN O=C(NC1CCCC1)c1ccc(Cn2nnc3ccccc3c2=O)cc1 ZINC000000425464 471358965 /nfs/dbraw/zinc/35/89/65/471358965.db2.gz LKKYBZZYIDMMFA-UHFFFAOYSA-N 0 0 348.406 2.512 50 0 EFAARN CC(C)(C)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1 ZINC000000428866 471358999 /nfs/dbraw/zinc/35/89/99/471358999.db2.gz ZXFZCBYZFGQLTP-UHFFFAOYSA-N 0 0 337.379 2.904 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc21 ZINC000000428695 471359188 /nfs/dbraw/zinc/35/91/88/471359188.db2.gz OWXLWYWKBBJUFQ-CYBMUJFWSA-N 0 0 344.436 2.635 50 0 EFAARN COC(=O)c1sc(NC(=O)C2CCCC2)c(C(=O)OC)c1C ZINC000000441543 471359950 /nfs/dbraw/zinc/35/99/50/471359950.db2.gz XSDLFHPIWFWCNP-UHFFFAOYSA-N 0 0 325.386 2.758 50 0 EFAARN COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000439989 471360401 /nfs/dbraw/zinc/36/04/01/471360401.db2.gz JAJAZQLCOFHIME-UHFFFAOYSA-N 0 0 333.409 2.672 50 0 EFAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000000449322 471361007 /nfs/dbraw/zinc/36/10/07/471361007.db2.gz SPUAYNYIXVIFJN-UHFFFAOYSA-N 0 0 335.146 2.934 50 0 EFAARN COc1ccc(CC(=O)Nc2ccccc2NC(C)=O)cc1OC ZINC000000443357 471361029 /nfs/dbraw/zinc/36/10/29/471361029.db2.gz ZOQSIVPQJWOBAY-UHFFFAOYSA-N 0 0 328.368 2.843 50 0 EFAARN CCOC(=O)N1CCN(C(=O)CSCc2ccccc2C)CC1 ZINC000000450375 471361410 /nfs/dbraw/zinc/36/14/10/471361410.db2.gz FTPSYTPYXSPPAW-UHFFFAOYSA-N 0 0 336.457 2.529 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1/C=C/c1ccccc1 ZINC000000444839 471361455 /nfs/dbraw/zinc/36/14/55/471361455.db2.gz IGDSSVASLPFMGC-MYSGNRETSA-N 0 0 342.420 2.851 50 0 EFAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C)cc1 ZINC000000454649 471362104 /nfs/dbraw/zinc/36/21/04/471362104.db2.gz ZHICMESPHBPVFK-UHFFFAOYSA-N 0 0 332.425 2.563 50 0 EFAARN Cc1cc2ncn(C(=O)CN3C(=O)c4ccccc4C3=O)c2cc1C ZINC000000456629 471362151 /nfs/dbraw/zinc/36/21/51/471362151.db2.gz GAACUSDGULPHTD-UHFFFAOYSA-N 0 0 333.347 2.590 50 0 EFAARN O=C(Cc1ccccc1)Nc1cc(N2C(=O)C=CC2=O)ccc1Cl ZINC000000451881 471362562 /nfs/dbraw/zinc/36/25/62/471362562.db2.gz POTVAPSAQBJMPY-UHFFFAOYSA-N 0 0 340.766 2.951 50 0 EFAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000461511 471362974 /nfs/dbraw/zinc/36/29/74/471362974.db2.gz IIFQYIBHUWJXCJ-UHFFFAOYSA-N 0 0 346.452 2.596 50 0 EFAARN O=S(=O)(NCc1cccs1)c1ccc(Br)cc1 ZINC000000460619 471363138 /nfs/dbraw/zinc/36/31/38/471363138.db2.gz MXSJEJIYFFPEMO-UHFFFAOYSA-N 0 0 332.244 2.989 50 0 EFAARN Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000000466637 471363209 /nfs/dbraw/zinc/36/32/09/471363209.db2.gz RXWKRPQXYCLMJK-UHFFFAOYSA-N 0 0 334.416 2.645 50 0 EFAARN NC(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000000460192 471363332 /nfs/dbraw/zinc/36/33/32/471363332.db2.gz AYTBAAUTYDUWOY-DUXPYHPUSA-N 0 0 327.211 2.731 50 0 EFAARN CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)N(C)C1=S ZINC000000460493 471363441 /nfs/dbraw/zinc/36/34/41/471363441.db2.gz CJSLREQMXWNQFW-WDZFZDKYSA-N 0 0 340.832 2.777 50 0 EFAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000000475777 471364192 /nfs/dbraw/zinc/36/41/92/471364192.db2.gz IVBXGWQNGCEREI-CYBMUJFWSA-N 0 0 332.425 2.679 50 0 EFAARN CCOC(=O)c1ccc(Oc2nc(SC)nc(N(C)C)n2)cc1 ZINC000000472567 471364207 /nfs/dbraw/zinc/36/42/07/471364207.db2.gz KMGBZJVYWMTNGB-UHFFFAOYSA-N 0 0 334.401 2.629 50 0 EFAARN CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)c(OCC)c1 ZINC000000476669 471364319 /nfs/dbraw/zinc/36/43/19/471364319.db2.gz VOXUWHWZMLUJDZ-UVTDQMKNSA-N 0 0 334.441 2.904 50 0 EFAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000000470016 471364509 /nfs/dbraw/zinc/36/45/09/471364509.db2.gz DWMSJAXNFVZMDI-UHFFFAOYSA-N 0 0 344.436 2.782 50 0 EFAARN COc1ccc2c(c1)[nH]c1c2ncn(Cc2ccc3c(c2)OCO3)c1=O ZINC000000489264 471364973 /nfs/dbraw/zinc/36/49/73/471364973.db2.gz DQLPAYHXIVAODA-UHFFFAOYSA-N 0 0 349.346 2.663 50 0 biogenic EFAARN Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc12 ZINC000000489146 471365204 /nfs/dbraw/zinc/36/52/04/471365204.db2.gz WDHCWAPTWWINPB-UHFFFAOYSA-N 0 0 341.338 2.936 50 0 biogenic EFAARN CN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@H](c2ccccc2)NC1=O ZINC000000492590 471366102 /nfs/dbraw/zinc/36/61/02/471366102.db2.gz JEYGVPHTUAQVDH-SFHVURJKSA-N 0 0 333.391 2.679 50 0 EFAARN COc1ccc(C)cc1[C@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C ZINC000000507295 471366445 /nfs/dbraw/zinc/36/64/45/471366445.db2.gz VGDBZCJRYXOAEV-MRXNPFEDSA-N 0 0 332.400 2.831 50 0 EFAARN O=C(CSc1nc2ccccc2o1)NC(=O)c1ccccc1O ZINC000000500850 471366551 /nfs/dbraw/zinc/36/65/51/471366551.db2.gz WRURYJJFVUCNKC-UHFFFAOYSA-N 0 0 328.349 2.582 50 0 EFAARN CC(=O)[C@@H](Sc1nn(C)c(=S)s1)C(=O)Nc1ccccc1 ZINC000000526237 471367196 /nfs/dbraw/zinc/36/71/96/471367196.db2.gz DXMRZRZCCWGTLC-SNVBAGLBSA-N 0 0 339.467 2.899 50 0 EFAARN COc1ccc(Cn2cnc3c4ccccc4[nH]c3c2=O)cc1OC ZINC000000525434 471367771 /nfs/dbraw/zinc/36/77/71/471367771.db2.gz ICPQDQXYGHKKRR-UHFFFAOYSA-N 0 0 335.363 2.943 50 0 biogenic EFAARN Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1 ZINC000000526296 471367837 /nfs/dbraw/zinc/36/78/37/471367837.db2.gz DUTKPBOWHSSBLX-UHFFFAOYSA-N 0 0 343.387 2.529 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)OCO2 ZINC000000526241 471367889 /nfs/dbraw/zinc/36/78/89/471367889.db2.gz PFXMQOCDRSZZLM-INIZCTEOSA-N 0 0 329.308 2.714 50 0 biogenic EFAARN CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000000514219 471368035 /nfs/dbraw/zinc/36/80/35/471368035.db2.gz NDZNSYOMEFJQHD-UHFFFAOYSA-N 0 0 334.397 2.845 50 0 EFAARN NC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000000522725 471368099 /nfs/dbraw/zinc/36/80/99/471368099.db2.gz SVQOPDCVINRDEI-UHFFFAOYSA-N 0 0 326.465 2.878 50 0 EFAARN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000520697 471368113 /nfs/dbraw/zinc/36/81/13/471368113.db2.gz LJVUQWSZMZRTJL-UHFFFAOYSA-N 0 0 328.397 2.557 50 0 EFAARN COc1ccc(CSc2nnc(-c3ccccc3OC)n2N)cc1 ZINC000000532356 471368290 /nfs/dbraw/zinc/36/82/90/471368290.db2.gz JDIHZZQZPVMGJJ-UHFFFAOYSA-N 0 0 342.424 2.968 50 0 EFAARN COc1cccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)c1 ZINC000000532211 471368388 /nfs/dbraw/zinc/36/83/88/471368388.db2.gz QSHYKGMZYYKRFK-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN COc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1 ZINC000000527696 471368872 /nfs/dbraw/zinc/36/88/72/471368872.db2.gz PRCWGWVFRABKIA-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN COC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccccc1 ZINC000000528189 471368898 /nfs/dbraw/zinc/36/88/98/471368898.db2.gz CIRAGKJBEYVUEC-KRWDZBQOSA-N 0 0 332.363 2.877 50 0 EFAARN COc1cccc(CSc2nnc(-c3ccccc3OC)n2N)c1 ZINC000000530384 471368994 /nfs/dbraw/zinc/36/89/94/471368994.db2.gz STQZKEGVAJAWQO-UHFFFAOYSA-N 0 0 342.424 2.968 50 0 EFAARN COC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000000529305 471369095 /nfs/dbraw/zinc/36/90/95/471369095.db2.gz QWLXQQRRXLUKFA-UHFFFAOYSA-N 0 0 332.356 2.739 50 0 EFAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)n2c3ccccc3nc2N1 ZINC000000529010 471369112 /nfs/dbraw/zinc/36/91/12/471369112.db2.gz GYPOQVLMUYHGPZ-ZDUSSCGKSA-N 0 0 336.351 2.508 50 0 EFAARN CCCN1c2ccccc2[C@](O)(CC(=O)c2cccc(OC)c2)C1=O ZINC000000527984 471369141 /nfs/dbraw/zinc/36/91/41/471369141.db2.gz VYYRZWOQGWAAIP-HXUWFJFHSA-N 0 0 339.391 2.912 50 0 EFAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 ZINC000000532539 471369156 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ZINC000002816942 471424285 /nfs/dbraw/zinc/42/42/85/471424285.db2.gz IRCCFKPMJARIER-LGMDPLHJSA-N 0 0 342.395 2.975 50 0 EFAARN CN(C)c1nc(N)nc(CSc2ncc(Cl)cc2Cl)n1 ZINC000002861171 471425370 /nfs/dbraw/zinc/42/53/70/471425370.db2.gz VNNORQOEJZTVAY-UHFFFAOYSA-N 0 0 331.232 2.514 50 0 EFAARN COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000002860312 471425388 /nfs/dbraw/zinc/42/53/88/471425388.db2.gz SDZMQTIHCZHOIE-UHFFFAOYSA-N 0 0 346.814 2.954 50 0 EFAARN COCCNC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 ZINC000002849476 471425458 /nfs/dbraw/zinc/42/54/58/471425458.db2.gz FIPYYMLVKSVJLX-UHFFFAOYSA-N 0 0 336.391 2.635 50 0 EFAARN c1ncn(CCOCCOc2ccc(OCc3ccccc3)cc2)n1 ZINC000002845327 471425471 /nfs/dbraw/zinc/42/54/71/471425471.db2.gz RVALGLAFGAAIPF-UHFFFAOYSA-N 0 0 339.395 2.953 50 0 EFAARN COc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OC ZINC000002869973 471426024 /nfs/dbraw/zinc/42/60/24/471426024.db2.gz VKRACHLFFSPYAN-UHFFFAOYSA-N 0 0 345.395 2.830 50 0 biogenic,in-vitro EFAARN 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349.239 2.935 50 0 EFAARN CCOC(=O)CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000003104637 471432879 /nfs/dbraw/zinc/43/28/79/471432879.db2.gz SCDXCVMAJGIHOB-UHFFFAOYSA-N 0 0 340.738 2.735 50 0 EFAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(OC(C)C)C(F)(F)F ZINC000003138037 471433410 /nfs/dbraw/zinc/43/34/10/471433410.db2.gz SUBAIKLSLXMYRY-AWEZNQCLSA-N 0 0 333.306 2.663 50 0 EFAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc2ccccc2o1 ZINC000003117450 471433475 /nfs/dbraw/zinc/43/34/75/471433475.db2.gz BJHZGEKKMNVQKS-LBPRGKRZSA-N 0 0 336.413 2.624 50 0 EFAARN COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](O)C2 ZINC000003197613 471434564 /nfs/dbraw/zinc/43/45/64/471434564.db2.gz GKPNPQODFXMCGO-KUHUBIRLSA-N 0 0 346.379 2.758 50 0 EFAARN O=C1CN(Cc2ccccc2)C(=O)[C@H]2CS[C@H](c3ccccc3)N12 ZINC000003182505 471435506 /nfs/dbraw/zinc/43/55/06/471435506.db2.gz OLAUDGHQFDRVRR-VQIMIIECSA-N 0 0 338.432 2.672 50 0 EFAARN O=C(COC(=O)c1cc2ccccc2oc1=O)N1CCc2ccccc21 ZINC000003235558 471437213 /nfs/dbraw/zinc/43/72/13/471437213.db2.gz 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BCBQEVXWFZMKLA-UHFFFAOYSA-N 0 0 334.322 2.826 50 0 EFAARN CN(C)c1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)cc1 ZINC000003400272 471444884 /nfs/dbraw/zinc/44/48/84/471444884.db2.gz YRLSKGWJNURKIT-UHFFFAOYSA-N 0 0 341.411 2.614 50 0 EFAARN COc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c1OC ZINC000003397358 471444891 /nfs/dbraw/zinc/44/48/91/471444891.db2.gz HSOMBEJTMKYDSU-UHFFFAOYSA-N 0 0 347.342 2.947 50 0 EFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1cccc2ncccc21 ZINC000003407126 471445021 /nfs/dbraw/zinc/44/50/21/471445021.db2.gz IZHFUYPLMJZADF-UHFFFAOYSA-N 0 0 330.347 2.583 50 0 EFAARN COc1cc(NC(=O)COC(=O)c2ccccc2C)cc(OC)c1 ZINC000003488067 471448715 /nfs/dbraw/zinc/44/87/15/471448715.db2.gz BEXPOUWXODCRBO-UHFFFAOYSA-N 0 0 329.352 2.808 50 0 EFAARN CCC(CC)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003505921 471448860 /nfs/dbraw/zinc/44/88/60/471448860.db2.gz HMJIHMSVNNIGBY-UHFFFAOYSA-N 0 0 338.473 2.780 50 0 EFAARN Cn1nc(C(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc2c1=O ZINC000003528665 471451818 /nfs/dbraw/zinc/45/18/18/471451818.db2.gz ACLKCSSVGZRALD-UHFFFAOYSA-N 0 0 342.424 2.940 50 0 EFAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(F)c(Cl)c1 ZINC000003565773 471453207 /nfs/dbraw/zinc/45/32/07/471453207.db2.gz REMIGQGTEHVZSF-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN COc1ccccc1CNC(=O)COC(=O)c1ccc(Cl)cc1 ZINC000003619221 471453702 /nfs/dbraw/zinc/45/37/02/471453702.db2.gz PBTCRRLCCWMTBS-UHFFFAOYSA-N 0 0 333.771 2.822 50 0 EFAARN CSc1cccc(N2C(=O)c3ccccc3[C@@]2(O)c2ncc[nH]2)c1 ZINC000003878198 471454946 /nfs/dbraw/zinc/45/49/46/471454946.db2.gz MXDOCYQRQJEZRR-GOSISDBHSA-N 0 0 337.404 2.985 50 0 EFAARN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO ZINC000003875995 471456082 /nfs/dbraw/zinc/45/60/82/471456082.db2.gz WHBHBVVOGNECLV-AZUBXHIKSA-N 0 0 346.467 2.811 50 0 biogenic EFAARN CCCCCn1c(=O)[nH]c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000003906563 471456851 /nfs/dbraw/zinc/45/68/51/471456851.db2.gz KTDSIBQSPLPUCD-UHFFFAOYSA-N 0 0 343.427 2.552 50 0 EFAARN O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1C(F)(F)F ZINC000004003054 471456888 /nfs/dbraw/zinc/45/68/88/471456888.db2.gz IKXFGZCDXWWYEA-UHFFFAOYSA-N 0 0 337.301 2.920 50 0 EFAARN CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1cccnc1 ZINC000003895890 471456904 /nfs/dbraw/zinc/45/69/04/471456904.db2.gz NHIQNBXWXNLNNX-PREGVCBESA-N 0 0 331.460 2.665 50 0 EFAARN COc1ccc2cc(CCNC(=O)c3cccc(C)c3)c(=O)[nH]c2c1 ZINC000003911791 471457476 /nfs/dbraw/zinc/45/74/76/471457476.db2.gz CELXERZSAPQIPA-UHFFFAOYSA-N 0 0 336.391 2.818 50 0 EFAARN CN1O[C@H](CC(=O)Nc2ccccn2)N(c2ccc(Cl)cc2)C1=O ZINC000004052070 471458483 /nfs/dbraw/zinc/45/84/83/471458483.db2.gz CMPROCMNCXJAKL-OAHLLOKOSA-N 0 0 346.774 2.893 50 0 EFAARN CCCCN1CC(=O)N2[C@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004064323 471458843 /nfs/dbraw/zinc/45/88/43/471458843.db2.gz IEHDTQWBSMOEJN-WBMJQRKESA-N 0 0 325.412 2.625 50 0 biogenic EFAARN CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000004065465 471458886 /nfs/dbraw/zinc/45/88/86/471458886.db2.gz DOCJEQDUXKVDBR-CQSZACIVSA-N 0 0 338.791 2.548 50 0 EFAARN C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO ZINC000004023319 471459171 /nfs/dbraw/zinc/45/91/71/471459171.db2.gz BCFCRXOJOFDUMZ-ZIKUCTJESA-N 0 0 344.451 2.731 50 0 biogenic EFAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000004113623 471459768 /nfs/dbraw/zinc/45/97/68/471459768.db2.gz SWIZHUQSYHEPOO-CQSZACIVSA-N 0 0 338.404 2.750 50 0 EFAARN CCOC(=O)COc1cccc(CCNC(=O)c2ccccc2)c1 ZINC000004110291 471459897 /nfs/dbraw/zinc/45/98/97/471459897.db2.gz UCHBVISVTMONBJ-UHFFFAOYSA-N 0 0 327.380 2.601 50 0 EFAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C ZINC000004144258 471460296 /nfs/dbraw/zinc/46/02/96/471460296.db2.gz LTZOFFUEESBHLR-OAHLLOKOSA-N 0 0 334.441 2.919 50 0 EFAARN CCCOc1ccc(Br)cc1/C=C1\NC(=S)NC1=O ZINC000004093713 471460395 /nfs/dbraw/zinc/46/03/95/471460395.db2.gz PMPDZOFDQNAADH-YFHOEESVSA-N 0 0 341.230 2.583 50 0 EFAARN Cc1cccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004185644 471460923 /nfs/dbraw/zinc/46/09/23/471460923.db2.gz CUTDHHHPRRMHMR-OAHLLOKOSA-N 0 0 349.477 2.886 50 0 EFAARN CC(=O)N(/C=C/C=C/C=C1/OC(=S)N(C)C1=O)c1ccccc1 ZINC000004208026 471461326 /nfs/dbraw/zinc/46/13/26/471461326.db2.gz GFDCIQXMEPYGIT-OMYWGSPBSA-N 0 0 328.393 2.767 50 0 EFAARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2ccccc2s1 ZINC000004168124 471461442 /nfs/dbraw/zinc/46/14/42/471461442.db2.gz VKDXSJJQPMVVPO-UHFFFAOYSA-N 0 0 346.433 2.850 50 0 EFAARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000004317493 471462195 /nfs/dbraw/zinc/46/21/95/471462195.db2.gz ACKFCEDKFGYLHX-UHFFFAOYSA-N 0 0 347.296 2.872 50 0 EFAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1 ZINC000004317943 471462599 /nfs/dbraw/zinc/46/25/99/471462599.db2.gz ZTMPSYJTWZSYQU-AWEZNQCLSA-N 0 0 336.438 2.867 50 0 EFAARN CC(C)OC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000004295452 471462705 /nfs/dbraw/zinc/46/27/05/471462705.db2.gz FKHQYZGGSQNOKA-UHFFFAOYSA-N 0 0 342.424 2.918 50 0 EFAARN CC(C)(C)OC(=O)N1CC[NH+]([C@H](CCc2ccccc2)C(=O)[O-])CC1 ZINC000004241847 471462964 /nfs/dbraw/zinc/46/29/64/471462964.db2.gz QFXHCEPJOKHODN-MRXNPFEDSA-N 0 0 348.443 2.625 50 0 EFAARN C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004359892 471463868 /nfs/dbraw/zinc/46/38/68/471463868.db2.gz FEVQSNMWMBQFQS-ZBFHGGJFSA-N 0 0 335.407 2.953 50 0 EFAARN COc1ccccc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000004371890 471463914 /nfs/dbraw/zinc/46/39/14/471463914.db2.gz ATXIDBZSKHBWEP-UHFFFAOYSA-N 0 0 337.634 2.714 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCCN2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004342636 471464054 /nfs/dbraw/zinc/46/40/54/471464054.db2.gz ILAVKBDUNCEGAN-OAHLLOKOSA-N 0 0 346.408 2.712 50 0 EFAARN O=S(=O)(NCc1ccccc1)c1cccc(Br)c1 ZINC000004369234 471464132 /nfs/dbraw/zinc/46/41/32/471464132.db2.gz HTAWYJSLZQALKS-UHFFFAOYSA-N 0 0 326.215 2.928 50 0 EFAARN CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c21 ZINC000004350892 471464152 /nfs/dbraw/zinc/46/41/52/471464152.db2.gz NTPXQERXVNATPJ-UHFFFAOYSA-N 0 0 326.425 2.875 50 0 EFAARN O=C(Nc1ccccc1)c1cccn(OCc2ccccc2F)c1=O ZINC000004326056 471464400 /nfs/dbraw/zinc/46/44/00/471464400.db2.gz CKKVWDXMVVPHHL-UHFFFAOYSA-N 0 0 338.338 2.869 50 0 EFAARN CCOC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000004341599 471464411 /nfs/dbraw/zinc/46/44/11/471464411.db2.gz IOCDGZPMAOAOER-SNVBAGLBSA-N 0 0 346.387 2.998 50 0 EFAARN CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000004341598 471464486 /nfs/dbraw/zinc/46/44/86/471464486.db2.gz GSOBLOKOCQOHBR-UHFFFAOYSA-N 0 0 332.360 2.610 50 0 EFAARN CC(C)(C)c1ccc(-c2noc(CCC(=O)N3CCOCC3)n2)cc1 ZINC000004384081 471464497 /nfs/dbraw/zinc/46/44/97/471464497.db2.gz UGYVWHMINYFBFW-UHFFFAOYSA-N 0 0 343.427 2.826 50 0 EFAARN CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000004384925 471464543 /nfs/dbraw/zinc/46/45/43/471464543.db2.gz PRTYOHBCLOKVRF-AWEZNQCLSA-N 0 0 345.424 2.790 50 0 EFAARN CN(C(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1 ZINC000004373756 471464636 /nfs/dbraw/zinc/46/46/36/471464636.db2.gz VEMAOLXFBCBWOT-AWEZNQCLSA-N 0 0 333.407 2.905 50 0 EFAARN NC(=O)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000004413066 471465277 /nfs/dbraw/zinc/46/52/77/471465277.db2.gz XPPWOHZSNOEJQN-UHFFFAOYSA-N 0 0 326.327 2.527 50 0 EFAARN COc1ccc(N2C[C@H](NC(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000004479590 471465322 /nfs/dbraw/zinc/46/53/22/471465322.db2.gz DFVMKWXIUZMGBW-OAHLLOKOSA-N 0 0 339.395 2.931 50 0 EFAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O ZINC000004472178 471465379 /nfs/dbraw/zinc/46/53/79/471465379.db2.gz JKWJOAVOZAHLJE-ZECSTPGPSA-N 0 0 349.408 2.992 50 0 EFAARN CCCCOc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004392633 471465383 /nfs/dbraw/zinc/46/53/83/471465383.db2.gz OKGRPJJDHVDKQY-ZDUSSCGKSA-N 0 0 325.430 2.629 50 0 EFAARN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc(-c2ccccc2)cs1 ZINC000004392231 471465395 /nfs/dbraw/zinc/46/53/95/471465395.db2.gz IPGUUPZOBCCTFG-LLVKDONJSA-N 0 0 336.438 2.573 50 0 EFAARN Cn1cc(C(=O)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000004414673 471465417 /nfs/dbraw/zinc/46/54/17/471465417.db2.gz DYMICQQQSNRLDZ-UHFFFAOYSA-N 0 0 347.418 2.710 50 0 EFAARN COc1cccc(-c2noc(CCCC(=O)NCc3ccco3)n2)c1 ZINC000004434113 471465646 /nfs/dbraw/zinc/46/56/46/471465646.db2.gz VNWUTNOMXBJYRJ-UHFFFAOYSA-N 0 0 341.367 2.977 50 0 EFAARN COc1ccc(N2C[C@@H](NC(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000004479591 471465854 /nfs/dbraw/zinc/46/58/54/471465854.db2.gz DFVMKWXIUZMGBW-HNNXBMFYSA-N 0 0 339.395 2.931 50 0 EFAARN Cc1cccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c1 ZINC000004411628 471465918 /nfs/dbraw/zinc/46/59/18/471465918.db2.gz ZORKYOJKIRHAHO-UHFFFAOYSA-N 0 0 325.397 2.906 50 0 EFAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1cccnc1 ZINC000004459193 471466019 /nfs/dbraw/zinc/46/60/19/471466019.db2.gz CQJJXTFVWDZFID-UHFFFAOYSA-N 0 0 340.832 2.921 50 0 EFAARN O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000004487367 471466526 /nfs/dbraw/zinc/46/65/26/471466526.db2.gz MJRXOWHZDXRUMU-UHFFFAOYSA-N 0 0 338.194 2.548 50 0 EFAARN Cc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000004496459 471466644 /nfs/dbraw/zinc/46/66/44/471466644.db2.gz MQKSESPNCAADPE-UHFFFAOYSA-N 0 0 340.404 2.952 50 0 EFAARN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 ZINC000004511461 471466698 /nfs/dbraw/zinc/46/66/98/471466698.db2.gz SMNZSPJBLJAWGS-UHFFFAOYSA-N 0 0 336.800 2.660 50 0 EFAARN CCN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000004504668 471466766 /nfs/dbraw/zinc/46/67/66/471466766.db2.gz NKGYWGXGHOTUIU-SNVBAGLBSA-N 0 0 336.240 2.643 50 0 EFAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000004492012 471466835 /nfs/dbraw/zinc/46/68/35/471466835.db2.gz KCMLGQXGCSFIHE-MRXNPFEDSA-N 0 0 348.399 2.675 50 0 EFAARN COc1ccc(NC(=O)CSc2nc(SC)ns2)cc1 ZINC000004502727 471466851 /nfs/dbraw/zinc/46/68/51/471466851.db2.gz ITFXRGLPMSKVAU-UHFFFAOYSA-N 0 0 327.456 2.999 50 0 EFAARN COc1cc(OC)cc(-c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000004511386 471467009 /nfs/dbraw/zinc/46/70/09/471467009.db2.gz YHZDJSVTGIYATB-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN 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COc1ccc2[nH]cc(CCNC(=O)Cc3csc(C)n3)c2c1 ZINC000013733921 471840708 /nfs/dbraw/zinc/84/07/08/471840708.db2.gz QBFHYRFXMMFVHV-UHFFFAOYSA-N 0 0 329.425 2.843 50 0 EFAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ncccn2)CC1 ZINC000013720354 471841124 /nfs/dbraw/zinc/84/11/24/471841124.db2.gz HTLPDPLOVXQXJM-UHFFFAOYSA-N 0 0 331.807 2.874 50 0 EFAARN CCN(CC)C(=O)c1sc2[nH]c(-c3ccccn3)nc(=O)c2c1C ZINC000013739666 471842359 /nfs/dbraw/zinc/84/23/59/471842359.db2.gz UYGHTUHCYPBMOW-UHFFFAOYSA-N 0 0 342.424 2.837 50 0 EFAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(C=O)CC1 ZINC000013736104 471842407 /nfs/dbraw/zinc/84/24/07/471842407.db2.gz BUFMVXNTEWRJPY-UHFFFAOYSA-N 0 0 349.843 2.686 50 0 EFAARN Cc1cccc(OCC(=O)N2CCN(CCc3ccccc3)CC2)c1 ZINC000013744789 471842535 /nfs/dbraw/zinc/84/25/35/471842535.db2.gz PVGJNYHPYIBYPA-UHFFFAOYSA-N 0 0 338.451 2.761 50 0 EFAARN O=C(COCC(=O)N1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000013844834 471844506 /nfs/dbraw/zinc/84/45/06/471844506.db2.gz FEQQCVXJUNADBV-UHFFFAOYSA-N 0 0 344.333 2.673 50 0 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335.410 2.810 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000015836463 471919303 /nfs/dbraw/zinc/91/93/03/471919303.db2.gz BRZVNHVBXRCCJO-ZDUSSCGKSA-N 0 0 337.397 2.823 50 0 EFAARN CCCN1c2ccc(C(=O)N[C@@H](C)CC)cc2S(=O)(=O)N=C1C ZINC000015867544 471920528 /nfs/dbraw/zinc/92/05/28/471920528.db2.gz ZEAZLASRGUPMGK-NSHDSACASA-N 0 0 337.445 2.552 50 0 EFAARN COc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000015934324 471921451 /nfs/dbraw/zinc/92/14/51/471921451.db2.gz DRUWJGPBHOBAJK-UHFFFAOYSA-N 0 0 330.340 2.754 50 0 EFAARN O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccco1 ZINC000015946107 471922613 /nfs/dbraw/zinc/92/26/13/471922613.db2.gz OJGFSZFCAPNJBW-GJZGRUSLSA-N 0 0 337.331 2.954 50 0 EFAARN CCc1noc(C)c1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000016579928 471941824 /nfs/dbraw/zinc/94/18/24/471941824.db2.gz WUKPFIPUSAKIEF-UHFFFAOYSA-N 0 0 327.428 2.546 50 0 EFAARN COc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1OC ZINC000016578607 471941876 /nfs/dbraw/zinc/94/18/76/471941876.db2.gz 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O=C(C1CCC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)N1CCCCC1 ZINC000017987108 471967249 /nfs/dbraw/zinc/96/72/49/471967249.db2.gz KFXPJPSLWPMFSD-BHUNQDJPSA-N 0 0 344.455 2.509 50 0 EFAARN CCOC(=O)c1sc2ncnc(N3C[C@@H](C)O[C@@H](C)C3)c2c1C ZINC000018083466 471968766 /nfs/dbraw/zinc/96/87/66/471968766.db2.gz VWOVDIPOGAPCJC-AOOOYVTPSA-N 0 0 335.429 2.790 50 0 EFAARN COc1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000018150990 471970537 /nfs/dbraw/zinc/97/05/37/471970537.db2.gz GWGZQHVGXMBSMV-UHFFFAOYSA-N 0 0 335.787 2.923 50 0 EFAARN Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c(O)c1Cc1ccccc1 ZINC000018222474 471973471 /nfs/dbraw/zinc/97/34/71/471973471.db2.gz NYSFSOMGOMLRKK-UHFFFAOYSA-N 0 0 331.375 2.906 50 0 EFAARN CC(=O)N[C@@H]1c2ccccc2N(CCOc2ccccc2Cl)C1=O ZINC000018240361 471974850 /nfs/dbraw/zinc/97/48/50/471974850.db2.gz CFURALIVNOYQDS-QGZVFWFLSA-N 0 0 344.798 2.943 50 0 EFAARN Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@H]2C(N)=O)cc1F ZINC000019146318 471977525 /nfs/dbraw/zinc/97/75/25/471977525.db2.gz UHFLFWOGXJEHRZ-SFHVURJKSA-N 0 0 340.398 2.815 50 0 EFAARN COc1ccnc(N2CCc3[nH]nc(-c4ccc(F)cc4F)c3C2)n1 ZINC000019111131 471977659 /nfs/dbraw/zinc/97/76/59/471977659.db2.gz ILVPOIKFGAGYIG-UHFFFAOYSA-N 0 0 343.337 2.716 50 0 EFAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000019296328 471977976 /nfs/dbraw/zinc/97/79/76/471977976.db2.gz CVNQDJQBJSEXTI-UHFFFAOYSA-N 0 0 348.809 2.635 50 0 EFAARN Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1S2(=O)=O ZINC000019911155 471985616 /nfs/dbraw/zinc/98/56/16/471985616.db2.gz FVIVVGPCLSNYQG-UHFFFAOYSA-N 0 0 336.434 2.899 50 0 EFAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccccn1)N(C)CC3)OCO2 ZINC000020111678 471987338 /nfs/dbraw/zinc/98/73/38/471987338.db2.gz FPJDLQJHYYMUBN-AWEZNQCLSA-N 0 0 340.379 2.621 50 0 biogenic EFAARN Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CCN(C)C3 ZINC000020566130 471991129 /nfs/dbraw/zinc/99/11/29/471991129.db2.gz DEVIBVVKYWOZOM-UHFFFAOYSA-N 0 0 325.397 2.895 50 0 EFAARN c1ccc([C@H]2C[C@@H](N3CCOCC3)Oc3cc4c(cc32)OCO4)cc1 ZINC000020727848 471992199 /nfs/dbraw/zinc/99/21/99/471992199.db2.gz GSTXJWWACBZNGZ-QRWLVFNGSA-N 0 0 339.391 2.988 50 0 EFAARN CC1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)C1C(=O)OC(C)(C)C ZINC000035147948 471994278 /nfs/dbraw/zinc/99/42/78/471994278.db2.gz OEEWLZZPKDXUIY-CYBMUJFWSA-N 0 0 347.806 2.957 50 0 EFAARN Cc1cc(C)n(C(=O)CN2CCCC[C@@H]2c2nc(C3CC3)no2)n1 ZINC000067172512 472001289 /nfs/dbraw/zinc/00/12/89/472001289.db2.gz XKJKQUAWCNEZEE-CQSZACIVSA-N 0 0 329.404 2.628 50 0 EFAARN O=C(COc1ccc2c(c1)C(=O)CC2)NCc1c(F)cccc1F ZINC000036708232 472003876 /nfs/dbraw/zinc/00/38/76/472003876.db2.gz JUTVPSJHKQNVKI-UHFFFAOYSA-N 0 0 331.318 2.789 50 0 EFAARN Cc1nnc(CNC(=O)c2ccc3c(c2)ncn3-c2ccccc2)o1 ZINC000036709056 472003900 /nfs/dbraw/zinc/00/39/00/472003900.db2.gz YRODMBZFHWMPJJ-UHFFFAOYSA-N 0 0 333.351 2.647 50 0 EFAARN Cc1ccsc1C(=O)OCC(=O)NCc1ccc(F)cc1F ZINC000067197940 472004238 /nfs/dbraw/zinc/00/42/38/472004238.db2.gz UZYFLSGZTAUUKX-UHFFFAOYSA-N 0 0 325.336 2.808 50 0 EFAARN CCN(CC)Cc1nnc2sc([C@H]3COc4ccccc4O3)nn12 ZINC000067239821 472009430 /nfs/dbraw/zinc/00/94/30/472009430.db2.gz MLKCJTBYCXZPJZ-CYBMUJFWSA-N 0 0 345.428 2.540 50 0 EFAARN CN(Cc1nnc2sc(-c3ccccn3)nn12)Cc1ccccc1 ZINC000067239863 472009456 /nfs/dbraw/zinc/00/94/56/472009456.db2.gz YPNHQVKNCKJCPR-UHFFFAOYSA-N 0 0 336.424 2.880 50 0 EFAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(N)=O)cc1F ZINC000067292720 472016184 /nfs/dbraw/zinc/01/61/84/472016184.db2.gz NLJZYYMDCROMHM-UZYVYHOESA-N 0 0 342.326 2.920 50 0 EFAARN CC(C)(C)C(=O)Nc1ccnc(Cl)c1CN1CC[C@@H](CO)C1 ZINC000038534081 472019620 /nfs/dbraw/zinc/01/96/20/472019620.db2.gz YZRWBLRCNHDVIK-LLVKDONJSA-N 0 0 325.840 2.534 50 0 EFAARN O=C(NCCNC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000038541501 472019692 /nfs/dbraw/zinc/01/96/92/472019692.db2.gz WVZPWYPJUMOHPS-UHFFFAOYSA-N 0 0 328.368 2.839 50 0 EFAARN COC(=O)C(=CNc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000067340322 472021450 /nfs/dbraw/zinc/02/14/50/472021450.db2.gz NPOSUJLJZDOELR-RVDMUPIBSA-N 0 0 335.356 2.726 50 0 EFAARN O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCC(O)CC1 ZINC000039485066 472024666 /nfs/dbraw/zinc/02/46/66/472024666.db2.gz NNFYHYYOFONREX-UHFFFAOYSA-N 0 0 345.399 2.799 50 0 EFAARN Cc1cnc(N2CCC[C@H](c3ccccc3)C2)nc1-c1ncnn1C ZINC000023231993 472028302 /nfs/dbraw/zinc/02/83/02/472028302.db2.gz GIPKEDZLEZAWAA-INIZCTEOSA-N 0 0 334.427 2.965 50 0 EFAARN Cc1csc(NC(=O)c2ccc(NC(=O)N3CCOCC3)cc2)n1 ZINC000040285066 472030466 /nfs/dbraw/zinc/03/04/66/472030466.db2.gz KIXHGQZSRMOFBF-UHFFFAOYSA-N 0 0 346.412 2.568 50 0 EFAARN COc1cc(NC(=O)c2cccc(Cl)c2)ccc1-n1cnnn1 ZINC000040283869 472030531 /nfs/dbraw/zinc/03/05/31/472030531.db2.gz DWJVCXFPPSXJDK-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN O=C1C[C@]2(CC(c3cccs3)=NO2)C(=O)N1c1ccc(F)cc1 ZINC000040285881 472030749 /nfs/dbraw/zinc/03/07/49/472030749.db2.gz OFFRVZNARNHNOK-MRXNPFEDSA-N 0 0 330.340 2.714 50 0 EFAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCC(Cn2cnnn2)CC1 ZINC000040267455 472030821 /nfs/dbraw/zinc/03/08/21/472030821.db2.gz AQPUENQKYIFSLE-ZLPCBKJTSA-N 0 0 341.459 2.617 50 0 EFAARN CCn1ccc2c(cnc3c(-c4ccccc4)c(COC)nn32)c1=O ZINC000040396362 472032248 /nfs/dbraw/zinc/03/22/48/472032248.db2.gz YFCSINADWCKJGO-UHFFFAOYSA-N 0 0 334.379 2.878 50 0 EFAARN COC(=O)c1ccccc1N(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000040478894 472032619 /nfs/dbraw/zinc/03/26/19/472032619.db2.gz UTZDBGPBZOBOOQ-UHFFFAOYSA-N 0 0 333.409 2.748 50 0 EFAARN COc1ccc2c(C)nc(N3CCC(CCNC(C)=O)CC3)nc2c1 ZINC000067434442 472033629 /nfs/dbraw/zinc/03/36/29/472033629.db2.gz SLZMJMFGMIEYSQ-UHFFFAOYSA-N 0 0 342.443 2.689 50 0 EFAARN Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000040497149 472034419 /nfs/dbraw/zinc/03/44/19/472034419.db2.gz NCKGUBRFUWHDJK-SNVBAGLBSA-N 0 0 341.816 2.559 50 0 EFAARN CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3c(O)cccc3O)C2)n1 ZINC000067446570 472034669 /nfs/dbraw/zinc/03/46/69/472034669.db2.gz WXZXIZZNQKJOGF-GFCCVEGCSA-N 0 0 345.399 2.699 50 0 EFAARN COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N(C)Cc1ccc(C)o1 ZINC000067446776 472034866 /nfs/dbraw/zinc/03/48/66/472034866.db2.gz ORMURCZPUWEWRQ-HNNXBMFYSA-N 0 0 328.368 2.681 50 0 EFAARN CCn1c(=S)[nH]nc1CN1CCN(c2ccccc2Cl)CC1 ZINC000023633881 472036414 /nfs/dbraw/zinc/03/64/14/472036414.db2.gz SKGBNKSQTBXPBT-UHFFFAOYSA-N 0 0 337.880 2.936 50 0 EFAARN Cc1cccc(CNC(=O)c2cc(NC(=O)c3ccccc3)n(C)n2)c1 ZINC000040761888 472040582 /nfs/dbraw/zinc/04/05/82/472040582.db2.gz DGIOHSOCWPYCKU-UHFFFAOYSA-N 0 0 348.406 2.911 50 0 EFAARN Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1cnn(C(C)C)c1)O2 ZINC000040779372 472040897 /nfs/dbraw/zinc/04/08/97/472040897.db2.gz BXXCHAFAYZLTGB-QGZVFWFLSA-N 0 0 328.372 2.501 50 0 EFAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 ZINC000041014380 472043766 /nfs/dbraw/zinc/04/37/66/472043766.db2.gz NAXVVYFUZUTUCW-CYBMUJFWSA-N 0 0 340.379 2.756 50 0 EFAARN O=C(CCCN1Cc2ccccc2C1=O)NCc1ccc(F)cc1 ZINC000041128106 472046398 /nfs/dbraw/zinc/04/63/98/472046398.db2.gz IADQBJAGNZCZKX-UHFFFAOYSA-N 0 0 326.371 2.878 50 0 EFAARN O=C(NC[C@H]1CCCN(Cc2ccncc2Cl)C1)c1ccc[nH]1 ZINC000067560287 472049518 /nfs/dbraw/zinc/04/95/18/472049518.db2.gz FCJZDMMYNJPNRK-CYBMUJFWSA-N 0 0 332.835 2.705 50 0 EFAARN Cc1cccnc1CN1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000067588517 472054782 /nfs/dbraw/zinc/05/47/82/472054782.db2.gz NRXUUZPYMPZEMC-UHFFFAOYSA-N 0 0 337.427 2.691 50 0 EFAARN O=C(NCC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000054090955 472056778 /nfs/dbraw/zinc/05/67/78/472056778.db2.gz ZQUOEZSCHYOVFB-QPJJXVBHSA-N 0 0 327.350 2.589 50 0 EFAARN Cc1c(C(=O)Nc2ccc(F)cc2)cccc1N(C)S(C)(=O)=O ZINC000067622804 472062351 /nfs/dbraw/zinc/06/23/51/472062351.db2.gz CHLYINBFZLDBHZ-UHFFFAOYSA-N 0 0 336.388 2.782 50 0 EFAARN COCC(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000067629659 472062626 /nfs/dbraw/zinc/06/26/26/472062626.db2.gz XCJFQEGCFXPLKH-UHFFFAOYSA-N 0 0 341.415 2.714 50 0 EFAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000067630422 472062998 /nfs/dbraw/zinc/06/29/98/472062998.db2.gz KFKVDACLFMYYBF-SMDDNHRTSA-N 0 0 330.428 2.839 50 0 EFAARN O=C1CC[C@H](NCc2noc(C3CCCC3)n2)CCN1CC1CC1 ZINC000067641199 472063709 /nfs/dbraw/zinc/06/37/09/472063709.db2.gz VTJIDDKTZMQEMP-HNNXBMFYSA-N 0 0 332.448 2.608 50 0 EFAARN CCc1nc(C)c(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2C)o1 ZINC000067654746 472066550 /nfs/dbraw/zinc/06/65/50/472066550.db2.gz XYARAJIZFDBMRB-NSHDSACASA-N 0 0 333.363 2.750 50 0 EFAARN CN(CCc1ccccn1)c1ncccc1CNC(=O)C(C)(C)C ZINC000067654543 472066587 /nfs/dbraw/zinc/06/65/87/472066587.db2.gz LIQOZKVGDBDHMP-UHFFFAOYSA-N 0 0 326.444 2.818 50 0 EFAARN CC[C@@]1(O)CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 ZINC000067655112 472066850 /nfs/dbraw/zinc/06/68/50/472066850.db2.gz PSQDTPGCRLKYPC-GOSISDBHSA-N 0 0 347.390 2.505 50 0 EFAARN Cn1cncc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067673059 472068230 /nfs/dbraw/zinc/06/82/30/472068230.db2.gz IHXNPCQRUCIAQI-UHFFFAOYSA-N 0 0 336.395 2.582 50 0 EFAARN CCN(CC)c1ncccc1CNC(=O)c1c(Cl)c(C)nn1C ZINC000067674129 472068590 /nfs/dbraw/zinc/06/85/90/472068590.db2.gz UGQIBGPZTOWPCX-UHFFFAOYSA-N 0 0 335.839 2.553 50 0 EFAARN CCCC(=O)NCC1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000067688381 472072117 /nfs/dbraw/zinc/07/21/17/472072117.db2.gz ZXLBWAFCPHFQOE-UHFFFAOYSA-N 0 0 326.872 2.510 50 0 EFAARN Cc1ccc2[nH]c(=O)c(CN(C)Cc3nc(C(C)C)no3)cc2c1 ZINC000067688598 472072261 /nfs/dbraw/zinc/07/22/61/472072261.db2.gz RVEAKXUXBZHSPG-UHFFFAOYSA-N 0 0 326.400 2.975 50 0 EFAARN Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(c2ncccn2)CCO3)n1 ZINC000067696556 472072919 /nfs/dbraw/zinc/07/29/19/472072919.db2.gz FXONOZKMIDKHBW-UHFFFAOYSA-N 0 0 349.394 2.655 50 0 EFAARN CN1CCC2(CCN(c3nccc(C(F)(F)F)n3)CC2)CCC1=O ZINC000067689252 472073571 /nfs/dbraw/zinc/07/35/71/472073571.db2.gz SCNAAONIQQDSLF-UHFFFAOYSA-N 0 0 342.365 2.724 50 0 EFAARN CN(Cc1nccn1C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067714079 472078390 /nfs/dbraw/zinc/07/83/90/472078390.db2.gz YTBMXHXZRGMSGN-UHFFFAOYSA-N 0 0 332.411 2.762 50 0 EFAARN Cc1nc[nH]c1C(=O)NCc1cccnc1N1CCCCCCC1 ZINC000067714359 472078631 /nfs/dbraw/zinc/07/86/31/472078631.db2.gz ZMLQQPUNTKFYIF-UHFFFAOYSA-N 0 0 327.432 2.814 50 0 EFAARN CCn1nc(C(=O)[O-])c2c1CC[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC000067724430 472079555 /nfs/dbraw/zinc/07/95/55/472079555.db2.gz IZPDMWMTCUUQOI-ZDUSSCGKSA-N 0 0 333.819 2.902 50 0 EFAARN O=C(C[C@@H]1SC(=O)N(CN2CCCCC2)C1=O)Nc1ccccc1 ZINC000054360497 472080815 /nfs/dbraw/zinc/08/08/15/472080815.db2.gz SHYRSIYFQRVXHH-AWEZNQCLSA-N 0 0 347.440 2.523 50 0 EFAARN CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H](C)O ZINC000054363615 472081638 /nfs/dbraw/zinc/08/16/38/472081638.db2.gz GEXKWNPNOTYVFS-ZDUSSCGKSA-N 0 0 343.489 2.822 50 0 EFAARN Cc1ccc2[nH]c(CNC(=O)COc3ccccc3O)nc2c1C ZINC000067741899 472081815 /nfs/dbraw/zinc/08/18/15/472081815.db2.gz SXVSZWCUTWPDHP-UHFFFAOYSA-N 0 0 325.368 2.581 50 0 EFAARN CCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1[C@H](C)CC ZINC000054363566 472081915 /nfs/dbraw/zinc/08/19/15/472081915.db2.gz RFMDWOVPIARMSE-OLZOCXBDSA-N 0 0 329.462 2.648 50 0 EFAARN Cc1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)no1 ZINC000067769684 472086757 /nfs/dbraw/zinc/08/67/57/472086757.db2.gz ABSBKZNHNQLOSB-UHFFFAOYSA-N 0 0 336.395 2.944 50 0 EFAARN C/C=C(\C)C[NH+]1CCC(CNS(=O)(=O)c2ccccc2C)CC1 ZINC000067772596 472087692 /nfs/dbraw/zinc/08/76/92/472087692.db2.gz UQUJNBLHSGOGMX-SYZQJQIISA-N 0 0 336.501 2.952 50 0 EFAARN COC(=O)CN1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 ZINC000067788736 472089120 /nfs/dbraw/zinc/08/91/20/472089120.db2.gz ZMNVQBQTHYXVGW-UHFFFAOYSA-N 0 0 327.380 2.735 50 0 EFAARN Cc1ccc(C(=O)NC[C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000067788327 472089297 /nfs/dbraw/zinc/08/92/97/472089297.db2.gz FZEJNSNDCRZASP-OAHLLOKOSA-N 0 0 349.438 2.518 50 0 EFAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(O)(c2cccnc2)CC1 ZINC000067803886 472091273 /nfs/dbraw/zinc/09/12/73/472091273.db2.gz FCUDPNCGAICTNV-UHFFFAOYSA-N 0 0 348.406 2.596 50 0 EFAARN Cc1nc[nH]c1[C@H]1c2[nH]cnc2CCN1Cc1ccnc(C(C)C)n1 ZINC000067803551 472091837 /nfs/dbraw/zinc/09/18/37/472091837.db2.gz MMEKBSUBBGVEPI-KRWDZBQOSA-N 0 0 337.431 2.502 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1F ZINC000025377314 472093347 /nfs/dbraw/zinc/09/33/47/472093347.db2.gz APTUSDXDIZGSBH-UHFFFAOYSA-N 0 0 332.350 2.936 50 0 EFAARN CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1nc(C)c(C)s1 ZINC000067821359 472093673 /nfs/dbraw/zinc/09/36/73/472093673.db2.gz NTGCDIVMJDNQFM-GFCCVEGCSA-N 0 0 342.424 2.878 50 0 EFAARN COc1ccccc1-n1cnnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000067821997 472095176 /nfs/dbraw/zinc/09/51/76/472095176.db2.gz FEHVYKRPHDNJRK-UHFFFAOYSA-N 0 0 341.367 2.969 50 0 EFAARN C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ncccc1C(=O)[O-] ZINC000067834053 472096070 /nfs/dbraw/zinc/09/60/70/472096070.db2.gz QHISPLONUWIIAR-UHFFFAOYSA-N 0 0 340.358 2.941 50 0 EFAARN CN(Cc1ccccc1)c1ncccc1CNC(=O)C1(O)CCCC1 ZINC000067842801 472096315 /nfs/dbraw/zinc/09/63/15/472096315.db2.gz UIJQAPRVBZGHDZ-UHFFFAOYSA-N 0 0 339.439 2.639 50 0 EFAARN CC(C)n1ccnc1CN1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC000067841792 472096837 /nfs/dbraw/zinc/09/68/37/472096837.db2.gz XPNRLORLKUYMGQ-CQSZACIVSA-N 0 0 332.473 2.777 50 0 EFAARN CCc1c2ccccc2[nH]c1C(=O)N[C@H](COC)c1ccnn1C 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COc1cccc(-c2ccc(C(=O)N[C@H](C)c3nncn3C)o2)c1 ZINC000067847761 472097837 /nfs/dbraw/zinc/09/78/37/472097837.db2.gz PUSQESMQBPQFIT-LLVKDONJSA-N 0 0 326.356 2.575 50 0 EFAARN CCOc1ccccc1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000067850445 472098981 /nfs/dbraw/zinc/09/89/81/472098981.db2.gz RLFJIEKTEBACTE-GOSISDBHSA-N 0 0 331.416 2.562 50 0 EFAARN COc1ccc(-c2nc(CN3CC[C@H](O)C3)c(C)o2)c(OC)c1C ZINC000067867339 472101368 /nfs/dbraw/zinc/10/13/68/472101368.db2.gz BMNXVUOZNJGCET-ZDUSSCGKSA-N 0 0 332.400 2.542 50 0 EFAARN CN(Cc1cnn(-c2ccccc2)c1)Cc1nc(-c2cccnc2)no1 ZINC000054611358 472101427 /nfs/dbraw/zinc/10/14/27/472101427.db2.gz LJSQSQSBJRPSOK-UHFFFAOYSA-N 0 0 346.394 2.949 50 0 EFAARN CCN(C(=O)c1cc(COc2ccccc2F)[nH]n1)C1CCOCC1 ZINC000067878495 472102902 /nfs/dbraw/zinc/10/29/02/472102902.db2.gz BJKOCXFJISNRKS-UHFFFAOYSA-N 0 0 347.390 2.769 50 0 EFAARN COC(=O)[C@H]1CCCCN1Cc1cc2ccc(SC)cc2[nH]c1=O ZINC000067921385 472109993 /nfs/dbraw/zinc/10/99/93/472109993.db2.gz KOMBVJOEJCTAAR-MRXNPFEDSA-N 0 0 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FRBAZMVMSRTDDJ-UHFFFAOYSA-N 0 0 327.315 2.571 50 0 EFAARN COc1ccc(-n2cc(C(=O)NCCCc3ccccc3)nn2)cc1 ZINC000044167844 472288223 /nfs/dbraw/zinc/28/82/23/472288223.db2.gz PDDIJVBQWNTTRM-UHFFFAOYSA-N 0 0 336.395 2.639 50 0 biogenic EFAARN COc1cccc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000044166888 472288276 /nfs/dbraw/zinc/28/82/76/472288276.db2.gz TZFYGRIGPDRUHG-UHFFFAOYSA-N 0 0 342.786 2.859 50 0 EFAARN O=C(/C=C/c1ccco1)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044226599 472291374 /nfs/dbraw/zinc/29/13/74/472291374.db2.gz LWYIKVKHKFCMAP-ONEGZZNKSA-N 0 0 331.397 2.627 50 0 EFAARN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CCOC1 ZINC000069120088 472294975 /nfs/dbraw/zinc/29/49/75/472294975.db2.gz AZJBDGDGFKYBGG-KRWDZBQOSA-N 0 0 335.407 2.737 50 0 EFAARN O=C1C[C@H](c2noc(-c3ccncc3)n2)CN1Cc1ccc(F)cc1 ZINC000044428555 472307039 /nfs/dbraw/zinc/30/70/39/472307039.db2.gz FLQRDHWFFCOSEC-AWEZNQCLSA-N 0 0 338.342 2.787 50 0 EFAARN O=C(COC[C@H]1CCCO1)NCc1nc(-c2ccccc2)cs1 ZINC000069261652 472314453 /nfs/dbraw/zinc/31/44/53/472314453.db2.gz IPQYOSNTUHQUPQ-CQSZACIVSA-N 0 0 332.425 2.622 50 0 EFAARN COc1cccc(SCC(=O)N(Cc2nccn2C)C2CC2)c1 ZINC000044580245 472318869 /nfs/dbraw/zinc/31/88/69/472318869.db2.gz DBWJQPHMIOWYFM-UHFFFAOYSA-N 0 0 331.441 2.712 50 0 EFAARN O=C(Nc1cccc2ncccc21)[C@H]1CCCN(c2ncccn2)C1 ZINC000044577290 472319178 /nfs/dbraw/zinc/31/91/78/472319178.db2.gz JPRAXUVQUZUAPM-AWEZNQCLSA-N 0 0 333.395 2.880 50 0 EFAARN O=C(CSCc1ccncc1)NCCNC(=O)CC1CCCCC1 ZINC000069380101 472331362 /nfs/dbraw/zinc/33/13/62/472331362.db2.gz RDWNBHKFLJNUPN-UHFFFAOYSA-N 0 0 349.500 2.518 50 0 EFAARN COc1ccc(-c2nnsc2C(=O)Nc2ccc(OC)nc2)cc1 ZINC000044891770 472348623 /nfs/dbraw/zinc/34/86/23/472348623.db2.gz FSBMDVBTMCORJJ-UHFFFAOYSA-N 0 0 342.380 2.870 50 0 EFAARN Cn1ncc(C(=O)NCCc2c[nH]c3ccccc23)c1-n1cccc1 ZINC000030862879 472351598 /nfs/dbraw/zinc/35/15/98/472351598.db2.gz OVCPRVKAWVYLAG-UHFFFAOYSA-N 0 0 333.395 2.665 50 0 EFAARN COCc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1 ZINC000044920089 472353751 /nfs/dbraw/zinc/35/37/51/472353751.db2.gz GGLLAOSGMZWKDU-UHFFFAOYSA-N 0 0 335.360 2.649 50 0 EFAARN CC(C)c1nc2oc(C(=O)N3CCOCC3)c(N)c2c2c1CCCC2 ZINC000031818880 472396950 /nfs/dbraw/zinc/39/69/50/472396950.db2.gz RKGOMEPLRMJUJB-UHFFFAOYSA-N 0 0 343.427 2.885 50 0 EFAARN Cc1cc2c(ncnc2NCCC(=O)NCc2cccnc2)s1 ZINC000031868857 472399629 /nfs/dbraw/zinc/39/96/29/472399629.db2.gz YOANKTPDJCISMV-UHFFFAOYSA-N 0 0 327.413 2.513 50 0 EFAARN O=C1OCCN1c1ccccc1Nc1cc(N2CCCC2)cnn1 ZINC000096879123 472399877 /nfs/dbraw/zinc/39/98/77/472399877.db2.gz HLPVDEXLNXIUGR-UHFFFAOYSA-N 0 0 325.372 2.777 50 0 EFAARN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC2(CC1)OCCO2 ZINC000057413216 472430208 /nfs/dbraw/zinc/43/02/08/472430208.db2.gz TXYPZWIXMATSRI-UHFFFAOYSA-N 0 0 347.802 2.709 50 0 EFAARN CC(C)Cn1c(SCC(=O)NC(C)C)nc2ccsc2c1=O ZINC000057426260 472431708 /nfs/dbraw/zinc/43/17/08/472431708.db2.gz SXLKVZWIKARLSR-UHFFFAOYSA-N 0 0 339.486 2.731 50 0 EFAARN O=C(CCn1c(CO)nc2ccccc21)N1CC[C@H]1c1cccs1 ZINC000097088095 472441651 /nfs/dbraw/zinc/44/16/51/472441651.db2.gz BCXAJSUAPQSKLL-HNNXBMFYSA-N 0 0 341.436 2.954 50 0 EFAARN Cc1cccn2c(CC(=O)NCCCN(C)c3ccccc3)cnc12 ZINC000097088119 472442043 /nfs/dbraw/zinc/44/20/43/472442043.db2.gz KXNISILUHSNWFL-UHFFFAOYSA-N 0 0 336.439 2.828 50 0 EFAARN CCOC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1cccs1 ZINC000032594556 472445039 /nfs/dbraw/zinc/44/50/39/472445039.db2.gz FYSMDTUPQISGEP-CBAPKCEASA-N 0 0 327.452 2.915 50 0 EFAARN CCOC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1cccs1 ZINC000032594558 472445361 /nfs/dbraw/zinc/44/53/61/472445361.db2.gz FYSMDTUPQISGEP-IONNQARKSA-N 0 0 327.452 2.915 50 0 EFAARN COC(=O)c1ccc(Nc2nc3ccccc3c(NCCO)n2)cc1 ZINC000032617690 472447019 /nfs/dbraw/zinc/44/70/19/472447019.db2.gz CQFOSXLMWSJZHT-UHFFFAOYSA-N 0 0 338.367 2.564 50 0 biogenic EFAARN Cc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2[nH]1 ZINC000057520916 472447956 /nfs/dbraw/zinc/44/79/56/472447956.db2.gz SOOAGQLPZBYJRU-UHFFFAOYSA-N 0 0 348.815 2.944 50 0 EFAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2[nH]1 ZINC000057520934 472448131 /nfs/dbraw/zinc/44/81/31/472448131.db2.gz IRNMJHMJFRVDRW-UHFFFAOYSA-N 0 0 342.424 2.907 50 0 EFAARN O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1COc2ccccc2C1 ZINC000045836397 472472724 /nfs/dbraw/zinc/47/27/24/472472724.db2.gz DWQGCJDXVOPRPD-INIZCTEOSA-N 0 0 349.390 2.789 50 0 EFAARN CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N1CCN(C)CC1 ZINC000057791448 472475092 /nfs/dbraw/zinc/47/50/92/472475092.db2.gz PFSJJBJEQLDVGC-UHFFFAOYSA-N 0 0 343.452 2.761 50 0 EFAARN COc1ccc(NC(=O)N[C@H](C(C)C)C(F)(F)F)cc1C(N)=O ZINC000097295167 472489007 /nfs/dbraw/zinc/48/90/07/472489007.db2.gz IQJROKONMSGNCX-LLVKDONJSA-N 0 0 333.310 2.503 50 0 EFAARN COCC1(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CCC1 ZINC000097294851 472489277 /nfs/dbraw/zinc/48/92/77/472489277.db2.gz OTWJFECFSGSKJL-UHFFFAOYSA-N 0 0 345.443 2.616 50 0 EFAARN O=C(c1cc(=O)[nH]c2ccccc21)N(C/C=C/c1ccccc1)CCO ZINC000097295052 472489308 /nfs/dbraw/zinc/48/93/08/472489308.db2.gz YSNFZQBTWHCWAV-RMKNXTFCSA-N 0 0 348.402 2.676 50 0 EFAARN CCCn1cnnc1CNC(=O)Nc1ccc(C)c(NC(=O)CC)c1 ZINC000097301311 472490635 /nfs/dbraw/zinc/49/06/35/472490635.db2.gz AQYQYWXTGOGMRI-UHFFFAOYSA-N 0 0 344.419 2.667 50 0 EFAARN Cc1nccn1CC1(CNC(=O)c2cccc(-c3cn[nH]c3)c2)CC1 ZINC000097334230 472490709 /nfs/dbraw/zinc/49/07/09/472490709.db2.gz XYFPBFUCKQFARP-UHFFFAOYSA-N 0 0 335.411 2.792 50 0 EFAARN Cn1cnnc1Sc1ccc(CN2CC(c3cccnc3)C2)o1 ZINC000097301456 472490798 /nfs/dbraw/zinc/49/07/98/472490798.db2.gz CNPXVEYPFYUICT-UHFFFAOYSA-N 0 0 327.413 2.554 50 0 EFAARN Cc1ccsc1CN(C(=O)[C@@H]1CSC(C)(C)C(=O)N1)C1CC1 ZINC000097301362 472490825 /nfs/dbraw/zinc/49/08/25/472490825.db2.gz JCUANMSQMXAVHG-LBPRGKRZSA-N 0 0 338.498 2.558 50 0 EFAARN CN(C)Cc1nc(C(=O)NCCCn2ccc3ccccc32)cs1 ZINC000097307476 472490992 /nfs/dbraw/zinc/49/09/92/472490992.db2.gz MTVHACVDCNQHFT-UHFFFAOYSA-N 0 0 342.468 2.980 50 0 EFAARN Cc1cc(C)n2ncc(CN3CC(c4nc5ccccc5[nH]4)C3)c2n1 ZINC000097463680 472496165 /nfs/dbraw/zinc/49/61/65/472496165.db2.gz DCRNTZAPBYZPLV-UHFFFAOYSA-N 0 0 332.411 2.822 50 0 EFAARN Cc1ccc(NC(=O)NC[C@@H](C)n2ccnc2)cc1N1CCCC1=O ZINC000097446980 472496177 /nfs/dbraw/zinc/49/61/77/472496177.db2.gz PSPFETBEJAWCHG-CQSZACIVSA-N 0 0 341.415 2.701 50 0 EFAARN O=C(NCc1ccc2c(c1)CCCC2)[C@H]1Cc2ccccc2C(=O)N1 ZINC000097436997 472496408 /nfs/dbraw/zinc/49/64/08/472496408.db2.gz VGAHVNOXHDEKHS-LJQANCHMSA-N 0 0 334.419 2.536 50 0 EFAARN O=C(NCc1csc2c1CCCC2)c1cnc2sccn2c1=O ZINC000097393980 472496804 /nfs/dbraw/zinc/49/68/04/472496804.db2.gz GEIXRHGMPRJPKB-UHFFFAOYSA-N 0 0 345.449 2.626 50 0 EFAARN CCN(CC)C(=O)c1ccc(NC(=O)NCCc2c[nH]cn2)c(C)c1 ZINC000097413173 472496946 /nfs/dbraw/zinc/49/69/46/472496946.db2.gz SNWMLIUTXXSWHL-UHFFFAOYSA-N 0 0 343.431 2.564 50 0 EFAARN O=C(c1ccn2nnnc2c1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000097463730 472496989 /nfs/dbraw/zinc/49/69/89/472496989.db2.gz DKFHVOYTZNMOEH-UHFFFAOYSA-N 0 0 345.765 2.722 50 0 EFAARN Cc1ccc(CCNC(=O)Nc2ccccc2CCC(=O)N(C)C)o1 ZINC000097480129 472498292 /nfs/dbraw/zinc/49/82/92/472498292.db2.gz MDGMLJXLSXAXHP-UHFFFAOYSA-N 0 0 343.427 2.973 50 0 EFAARN O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)s1 ZINC000097551400 472498958 /nfs/dbraw/zinc/49/89/58/472498958.db2.gz VGDGAWYPCBBUGH-LBPRGKRZSA-N 0 0 348.424 2.681 50 0 EFAARN COc1ccc2c(c1)[C@H](C(=O)NCCCOC1CCCC1)CC(=O)N2 ZINC000097522174 472499255 /nfs/dbraw/zinc/49/92/55/472499255.db2.gz NQQLQKRLFSEOAY-MRXNPFEDSA-N 0 0 346.427 2.587 50 0 EFAARN O=C(CCc1cn2ccccc2n1)NCCN1CCCc2ccccc21 ZINC000097499583 472499605 /nfs/dbraw/zinc/49/96/05/472499605.db2.gz ZDKDXDIXIBBOOG-UHFFFAOYSA-N 0 0 348.450 2.836 50 0 EFAARN Cc1cc2cccc(C(=O)N3CCC(c4cc(=O)[nH]cn4)CC3)c2o1 ZINC000097553429 472499809 /nfs/dbraw/zinc/49/98/09/472499809.db2.gz PJHMMNVWWUFOFP-UHFFFAOYSA-N 0 0 337.379 2.844 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1cn2ccsc2n1 ZINC000097505352 472499843 /nfs/dbraw/zinc/49/98/43/472499843.db2.gz FWLLHZIVUHPTSA-UHFFFAOYSA-N 0 0 333.417 2.640 50 0 EFAARN CCCCNC(=O)c1cccc(-c2ncccc2C(=O)N(C)C)c1 ZINC000097514437 472499893 /nfs/dbraw/zinc/49/98/93/472499893.db2.gz LWAHBUZWQMTOLZ-UHFFFAOYSA-N 0 0 325.412 2.980 50 0 EFAARN CCc1noc(C)c1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 ZINC000097495482 472500140 /nfs/dbraw/zinc/50/01/40/472500140.db2.gz PNHLPQUFXVLURY-KRWDZBQOSA-N 0 0 342.443 2.897 50 0 EFAARN Nc1nc(CCC(=O)N2CCc3c4ccccc4[nH]c3C2)cs1 ZINC000097547775 472500277 /nfs/dbraw/zinc/50/02/77/472500277.db2.gz YMXNNCSHYKXRNP-UHFFFAOYSA-N 0 0 326.425 2.724 50 0 EFAARN Cc1nnc(SCCCNC(=O)c2cn3c(cccc3C)n2)s1 ZINC000097574918 472501595 /nfs/dbraw/zinc/50/15/95/472501595.db2.gz TXKFDGZUANLZJZ-UHFFFAOYSA-N 0 0 347.469 2.715 50 0 EFAARN COc1c[nH]c(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)cc1=O ZINC000097570807 472501913 /nfs/dbraw/zinc/50/19/13/472501913.db2.gz ISSKYIVCCYPEIR-SECBINFHSA-N 0 0 340.301 2.893 50 0 EFAARN Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c2cc(Cl)ccc2n1 ZINC000097635028 472502253 /nfs/dbraw/zinc/50/22/53/472502253.db2.gz CWDSALNMBUCBQC-INIZCTEOSA-N 0 0 345.830 2.793 50 0 EFAARN Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCOc2ccccc2C1 ZINC000097631925 472502667 /nfs/dbraw/zinc/50/26/67/472502667.db2.gz LTLRUDBXOXTBIY-INIZCTEOSA-N 0 0 327.428 2.637 50 0 EFAARN CN(CCCNC(=O)[C@H]1CC(=O)OC12CCCC2)c1ccccc1 ZINC000097654129 472502850 /nfs/dbraw/zinc/50/28/50/472502850.db2.gz CMBBVTFNPJGANV-MRXNPFEDSA-N 0 0 330.428 2.505 50 0 EFAARN COCC[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2C)CCO1 ZINC000097602276 472502881 /nfs/dbraw/zinc/50/28/81/472502881.db2.gz KCWSTMUCSXDMQD-CYBMUJFWSA-N 0 0 344.358 2.866 50 0 EFAARN O=C(c1cnc2c(c1)CCCC2)N1CCN(CCc2ccccc2)CC1 ZINC000097660452 472503188 /nfs/dbraw/zinc/50/31/88/472503188.db2.gz LXJLPXBAPJWEOM-UHFFFAOYSA-N 0 0 349.478 2.961 50 0 EFAARN COc1ccc2cc(C(=O)N(Cc3nccn3C)C(C)C)n(C)c2c1 ZINC000097657251 472503249 /nfs/dbraw/zinc/50/32/49/472503249.db2.gz QJTYCCAADOXRTL-UHFFFAOYSA-N 0 0 340.427 2.971 50 0 EFAARN C[NH+](C)CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000097660690 472503314 /nfs/dbraw/zinc/50/33/14/472503314.db2.gz 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ZINC000091872685 472819687 /nfs/dbraw/zinc/81/96/87/472819687.db2.gz QMKHXTAIOFJFMM-SFHVURJKSA-N 0 0 338.517 2.913 50 0 EFAARN OCc1ccnc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c1 ZINC000091877070 472819999 /nfs/dbraw/zinc/81/99/99/472819999.db2.gz GDHNKWLAHKLVKE-GOSISDBHSA-N 0 0 349.438 2.598 50 0 EFAARN CCc1csc(CNC(=O)[C@@H]2COc3c(cccc3OC)C2)n1 ZINC000091877261 472820563 /nfs/dbraw/zinc/82/05/63/472820563.db2.gz JERVUIWOURCGKM-LBPRGKRZSA-N 0 0 332.425 2.582 50 0 EFAARN COc1cccc(-c2cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)[nH]n2)c1 ZINC000091893583 472821703 /nfs/dbraw/zinc/82/17/03/472821703.db2.gz RKCNPVFXSGXLTM-QZTJIDSGSA-N 0 0 341.411 2.869 50 0 EFAARN Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2cnn(C(C)C)c2)n1 ZINC000048159148 472823237 /nfs/dbraw/zinc/82/32/37/472823237.db2.gz ZICROSRXKCIJMV-UHFFFAOYSA-N 0 0 339.447 2.908 50 0 EFAARN CCCc1nc(C(=O)N2CCN(c3ncccc3C)CC2)cs1 ZINC000091896010 472823402 /nfs/dbraw/zinc/82/34/02/472823402.db2.gz PCSXRQDBMLUZTM-UHFFFAOYSA-N 0 0 330.457 2.761 50 0 EFAARN Cc1ccc2nc(C(=O)NCc3nc(C)cc(C(F)(F)F)n3)cn2c1 ZINC000091894317 472823560 /nfs/dbraw/zinc/82/35/60/472823560.db2.gz PPMDXKSLJWOSQF-UHFFFAOYSA-N 0 0 349.316 2.690 50 0 EFAARN CN(C)[C@H](C(=O)NCCCc1ccc(O)cc1)c1ccc(F)cc1 ZINC000091908115 472825165 /nfs/dbraw/zinc/82/51/65/472825165.db2.gz SPNQVMRWPIJDHP-SFHVURJKSA-N 0 0 330.403 2.883 50 0 EFAARN CC1(C)CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@]1(C)O ZINC000091915315 472825234 /nfs/dbraw/zinc/82/52/34/472825234.db2.gz JCCRWZQPHGNDLV-SFHVURJKSA-N 0 0 330.453 2.967 50 0 EFAARN Cc1ccc(F)cc1CC(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091908306 472826052 /nfs/dbraw/zinc/82/60/52/472826052.db2.gz MGDIXYGYUKFNOT-QRWLVFNGSA-N 0 0 349.446 2.703 50 0 EFAARN Cc1ccc([C@@H](C(=O)NCCNc2ncccc2C)N(C)C)cc1 ZINC000091934272 472828506 /nfs/dbraw/zinc/82/85/06/472828506.db2.gz PBYYIWCJBDFOMN-KRWDZBQOSA-N 0 0 326.444 2.529 50 0 EFAARN Cc1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cnn1-c1ccccn1 ZINC000073544477 472828391 /nfs/dbraw/zinc/82/83/91/472828391.db2.gz OLMCXIHUBBJMQS-GOSISDBHSA-N 0 0 348.406 2.789 50 0 EFAARN Cc1ccc2nc(C(=O)N3CCC(Nc4ccccn4)CC3)cn2c1 ZINC000091933930 472828573 /nfs/dbraw/zinc/82/85/73/472828573.db2.gz HAUKSFNWYPSKSH-UHFFFAOYSA-N 0 0 335.411 2.754 50 0 EFAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccco1 ZINC000079188447 472829275 /nfs/dbraw/zinc/82/92/75/472829275.db2.gz BNBVBVOHMOHNFC-CZUORRHYSA-N 0 0 326.304 2.842 50 0 biogenic EFAARN CCc1cc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)on1 ZINC000091932040 472829684 /nfs/dbraw/zinc/82/96/84/472829684.db2.gz PDRGPLBBMGQPPK-CRAIPNDOSA-N 0 0 339.439 2.974 50 0 EFAARN O=C(N1CCCC1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 ZINC000091943790 472830016 /nfs/dbraw/zinc/83/00/16/472830016.db2.gz OMMDDFKOXJUHMW-INIZCTEOSA-N 0 0 339.443 2.722 50 0 EFAARN COC[C@]1(O)CCN(C(=O)c2ccc3sc(C)nc3c2)CC1(C)C ZINC000091951759 472830733 /nfs/dbraw/zinc/83/07/33/472830733.db2.gz BELWMJHNGAJZLT-GOSISDBHSA-N 0 0 348.468 2.854 50 0 EFAARN CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)c2cc3ccccc3s2)C1 ZINC000091943942 472831117 /nfs/dbraw/zinc/83/11/17/472831117.db2.gz GKVVACDRSCAQMY-DZGCQCFKSA-N 0 0 328.437 2.984 50 0 EFAARN Cc1nc(CNC(=O)c2cc(CC(C)C)no2)nc2c1CCCC2 ZINC000091966448 472835074 /nfs/dbraw/zinc/83/50/74/472835074.db2.gz ZJTUSUOLHAYZFT-UHFFFAOYSA-N 0 0 328.416 2.780 50 0 EFAARN O=C(CCCc1ccc(F)cc1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000091986342 472836783 /nfs/dbraw/zinc/83/67/83/472836783.db2.gz AYFHNPGMPJSTFQ-KRWDZBQOSA-N 0 0 335.419 2.681 50 0 EFAARN O=C(C[C@H]1CCc2ccccc21)NCCc1nc(-c2cccnc2)no1 ZINC000091988464 472837541 /nfs/dbraw/zinc/83/75/41/472837541.db2.gz KVDDANLLPJCXRK-OAHLLOKOSA-N 0 0 348.406 2.910 50 0 EFAARN Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 ZINC000091997486 472838071 /nfs/dbraw/zinc/83/80/71/472838071.db2.gz YKEJKQTYDMYGOK-MRXNPFEDSA-N 0 0 349.438 2.685 50 0 EFAARN Cc1nc(NC(=O)N(C)Cc2cnc(-c3ccccc3)s2)nn1C ZINC000048235857 472838223 /nfs/dbraw/zinc/83/82/23/472838223.db2.gz ABISVWLCPGIVRB-UHFFFAOYSA-N 0 0 342.428 2.911 50 0 EFAARN Cc1ccc(NCCCNC(=O)[C@@H]2COc3ccccc3C2)nc1 ZINC000091997577 472838444 /nfs/dbraw/zinc/83/84/44/472838444.db2.gz SUICOUWVWZSRFZ-INIZCTEOSA-N 0 0 325.412 2.560 50 0 EFAARN Cc1ccc(NCCCNC(=O)[C@H]2COc3ccccc3C2)nc1 ZINC000091997576 472838942 /nfs/dbraw/zinc/83/89/42/472838942.db2.gz SUICOUWVWZSRFZ-MRXNPFEDSA-N 0 0 325.412 2.560 50 0 EFAARN OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1 ZINC000091997885 472839138 /nfs/dbraw/zinc/83/91/38/472839138.db2.gz DVQYCBABEFPNCS-UHFFFAOYSA-N 0 0 349.369 2.811 50 0 EFAARN Cc1ccccc1COC1CN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000091998041 472839921 /nfs/dbraw/zinc/83/99/21/472839921.db2.gz BWVXQGVETZRJRT-UHFFFAOYSA-N 0 0 348.406 2.617 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(C)(C)[C@](C)(O)C1 ZINC000092027936 472845199 /nfs/dbraw/zinc/84/51/99/472845199.db2.gz ZDAWOHCCVCVQBB-HXUWFJFHSA-N 0 0 341.455 2.651 50 0 EFAARN CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H]1c1nonc1C ZINC000092045452 472847439 /nfs/dbraw/zinc/84/74/39/472847439.db2.gz WDXANARBPWFOLD-AWEZNQCLSA-N 0 0 331.420 2.770 50 0 EFAARN CC(C)Cc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)n(C)n1 ZINC000092061823 472849442 /nfs/dbraw/zinc/84/94/42/472849442.db2.gz SATXDQQNQWNLPU-UHFFFAOYSA-N 0 0 343.456 2.896 50 0 EFAARN CCN1C[C@@H](C(=O)NCCSCc2ccccc2C)CCC1=O ZINC000092078232 472855356 /nfs/dbraw/zinc/85/53/56/472855356.db2.gz UMEJKHOPDIDIPC-HNNXBMFYSA-N 0 0 334.485 2.603 50 0 EFAARN O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(SCCO)cc1 ZINC000092096623 472857923 /nfs/dbraw/zinc/85/79/23/472857923.db2.gz LCNGRBRIVHYTDC-CQSZACIVSA-N 0 0 343.448 2.752 50 0 EFAARN CCC[C@@]1(CO)CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1 ZINC000092099447 472858910 /nfs/dbraw/zinc/85/89/10/472858910.db2.gz DEEZSHXFUDIDGJ-LJQANCHMSA-N 0 0 331.460 2.697 50 0 EFAARN CCN1C[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1=O ZINC000048350362 472861104 /nfs/dbraw/zinc/86/11/04/472861104.db2.gz QLMNMADGFKDAFR-CQSZACIVSA-N 0 0 332.419 2.622 50 0 EFAARN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439183 472863664 /nfs/dbraw/zinc/86/36/64/472863664.db2.gz MYKXCNQSXDZLGZ-CQSZACIVSA-N 0 0 347.463 2.887 50 0 EFAARN COc1cccc2c1ccn2CCNC(=O)c1nn(C)c2ccccc21 ZINC000079481878 472871449 /nfs/dbraw/zinc/87/14/49/472871449.db2.gz CVQYNTOFSADHEN-UHFFFAOYSA-N 0 0 348.406 2.967 50 0 EFAARN Cc1nn(C)c(C)c1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C(C)C ZINC000079479511 472871647 /nfs/dbraw/zinc/87/16/47/472871647.db2.gz RMBZCOYJJLTLEX-ZDUSSCGKSA-N 0 0 335.433 2.944 50 0 EFAARN CCOC(=O)C[C@@H](c1c(C)[nH][nH]c1=O)c1ccc(OC)c(OC)c1 ZINC000079490404 472872596 /nfs/dbraw/zinc/87/25/96/472872596.db2.gz SWFWBLBMOBGPPC-GFCCVEGCSA-N 0 0 334.372 2.526 50 0 EFAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1 ZINC000079490388 472872626 /nfs/dbraw/zinc/87/26/26/472872626.db2.gz HYMHVIXQYUJJTB-LBPRGKRZSA-N 0 0 346.818 2.994 50 0 EFAARN Cc1nnsc1-c1nnc2sc(-c3cc(C(C)C)n(C)n3)nn21 ZINC000079486584 472872749 /nfs/dbraw/zinc/87/27/49/472872749.db2.gz HERPOLSJBVXXGT-UHFFFAOYSA-N 0 0 346.445 2.537 50 0 EFAARN COCc1nnc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)s1 ZINC000079485924 472873220 /nfs/dbraw/zinc/87/32/20/472873220.db2.gz ZSKAQCRQTHZVKB-UHFFFAOYSA-N 0 0 347.440 2.969 50 0 EFAARN COc1ccc(Cc2nc(NC(=O)c3n[nH]c4ccccc43)n[nH]2)cc1 ZINC000079502298 472875129 /nfs/dbraw/zinc/87/51/29/472875129.db2.gz HRHLMFYNCNKNMW-UHFFFAOYSA-N 0 0 348.366 2.533 50 0 EFAARN O=C(Cn1cnc2cc3c(cc21)OCCO3)Nc1ccccc1F ZINC000064794814 472875977 /nfs/dbraw/zinc/87/59/77/472875977.db2.gz BPZLTXJLXHSTJT-UHFFFAOYSA-N 0 0 327.315 2.585 50 0 EFAARN C[N@H+]1[C@H](CC(=O)c2ccccc2)[C@@H](O)C[C@H]1CC(=O)c1ccccc1 ZINC000106803441 472893176 /nfs/dbraw/zinc/89/31/76/472893176.db2.gz CHZLLIURHLNVQA-OPYAIIAOSA-N 0 0 337.419 2.966 50 0 EFAARN O=S(=O)(N1CCC[C@H]1c1ccccn1)N1CCc2ccccc2C1 ZINC000106948803 472917503 /nfs/dbraw/zinc/91/75/03/472917503.db2.gz VTGVKBOGVCACHM-SFHVURJKSA-N 0 0 343.452 2.522 50 0 EFAARN Cc1scc2nc(C(=O)NCCC(C)C)nc(N3CCOCC3)c12 ZINC000065283263 472918587 /nfs/dbraw/zinc/91/85/87/472918587.db2.gz YWNOSKWZCPDFRK-UHFFFAOYSA-N 0 0 348.472 2.612 50 0 EFAARN COc1c(C)cnc(Cn2c(=O)c(C)c(C)nc2N2CCCC2)c1C ZINC000065307474 472923018 /nfs/dbraw/zinc/92/30/18/472923018.db2.gz JUJDQFWOPIZQFD-UHFFFAOYSA-N 0 0 342.443 2.529 50 0 EFAARN Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)c1 ZINC000065362030 472925945 /nfs/dbraw/zinc/92/59/45/472925945.db2.gz QISZDGOUZLRDNJ-UHFFFAOYSA-N 0 0 325.416 2.756 50 0 EFAARN CCCO[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2)C1 ZINC000065360541 472926303 /nfs/dbraw/zinc/92/63/03/472926303.db2.gz JEMWWQVSNZNMSF-INIZCTEOSA-N 0 0 329.404 2.690 50 0 EFAARN C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000065363077 472926596 /nfs/dbraw/zinc/92/65/96/472926596.db2.gz RGHFCPQBPVPCNO-ZDUSSCGKSA-N 0 0 332.425 2.573 50 0 EFAARN COc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2N(C)C)cc1 ZINC000065362731 472926634 /nfs/dbraw/zinc/92/66/34/472926634.db2.gz IYMNCJSJFTUQHJ-UHFFFAOYSA-N 0 0 341.411 2.715 50 0 EFAARN Cc1ccc(C(=O)N2CCc3ccccc32)cc1N(C)S(C)(=O)=O ZINC000065362725 472926764 /nfs/dbraw/zinc/92/67/64/472926764.db2.gz GDFKXYRZRVOVNM-UHFFFAOYSA-N 0 0 344.436 2.594 50 0 EFAARN CCc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000065363490 472926813 /nfs/dbraw/zinc/92/68/13/472926813.db2.gz IKPQZCSSPDOEOU-UHFFFAOYSA-N 0 0 332.425 2.897 50 0 EFAARN CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2F)c1 ZINC000065364462 472927343 /nfs/dbraw/zinc/92/73/43/472927343.db2.gz OVZFUYUJPNJOJC-LLVKDONJSA-N 0 0 328.343 2.785 50 0 EFAARN CCCc1nc(C)cc(NCc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000065373183 472927739 /nfs/dbraw/zinc/92/77/39/472927739.db2.gz GSAMYUDACULFHF-UHFFFAOYSA-N 0 0 325.416 2.540 50 0 EFAARN O=C([O-])c1cccnc1C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000065372446 472928339 /nfs/dbraw/zinc/92/83/39/472928339.db2.gz NJACPIZEYLJXJN-LJQANCHMSA-N 0 0 340.423 2.595 50 0 EFAARN C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1nc[nH]n1 ZINC000065372927 472928376 /nfs/dbraw/zinc/92/83/76/472928376.db2.gz SJKHCQGSYNZTIT-GFCCVEGCSA-N 0 0 344.378 2.906 50 0 EFAARN COc1cccc([C@H]2CCN2C(=O)c2cccc(-n3cnnc3)c2)c1 ZINC000065373635 472928635 /nfs/dbraw/zinc/92/86/35/472928635.db2.gz VPHNENSFCRWXQH-GOSISDBHSA-N 0 0 334.379 2.863 50 0 EFAARN Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1CCCCNC1=O ZINC000065371689 472928641 /nfs/dbraw/zinc/92/86/41/472928641.db2.gz SBOKXFNZNYBSDR-MRXNPFEDSA-N 0 0 342.395 2.566 50 0 EFAARN O=C(NCc1nccn1Cc1ccccc1)c1cn2ccsc2n1 ZINC000065375770 472930083 /nfs/dbraw/zinc/93/00/83/472930083.db2.gz HIPWXJBJRDMHPY-UHFFFAOYSA-N 0 0 337.408 2.571 50 0 EFAARN C[C@@H](C(=O)NCCc1[nH]nc2c1CCCC2)n1cnc2ccccc21 ZINC000065374998 472930307 /nfs/dbraw/zinc/93/03/07/472930307.db2.gz JINNHLXUCNKWEM-ZDUSSCGKSA-N 0 0 337.427 2.558 50 0 EFAARN COc1ccccc1-n1cc(C(=O)N(C)Cc2csc(C)n2)cn1 ZINC000065382216 472930382 /nfs/dbraw/zinc/93/03/82/472930382.db2.gz IEIOQQAOYUTRRI-UHFFFAOYSA-N 0 0 342.424 2.918 50 0 EFAARN COc1c(C)cnc(CN(C)C(=O)c2cc(C(C)C)nn2C)c1C ZINC000065383786 472931226 /nfs/dbraw/zinc/93/12/26/472931226.db2.gz NVFTXVWKOPDJHT-UHFFFAOYSA-N 0 0 330.432 2.836 50 0 EFAARN Cc1nonc1[C@H]1CCCN1CC(=O)N1CCCc2cc(C)ccc21 ZINC000065387504 472931523 /nfs/dbraw/zinc/93/15/23/472931523.db2.gz RUWXWBDZWPOUFP-QGZVFWFLSA-N 0 0 340.427 2.803 50 0 EFAARN CCN(Cc1noc(C)n1)C(=O)c1cnc(Nc2ccccc2)nc1 ZINC000065393617 472932071 /nfs/dbraw/zinc/93/20/71/472932071.db2.gz QDFXKXJHJWXNGN-UHFFFAOYSA-N 0 0 338.371 2.574 50 0 EFAARN C[C@H](c1ccc(-c2nnnn2-c2ccccc2)cc1)N1CCOCC1 ZINC000065393383 472932632 /nfs/dbraw/zinc/93/26/32/472932632.db2.gz RAYYSTAVNCAVPX-OAHLLOKOSA-N 0 0 335.411 2.723 50 0 EFAARN O=C(CCn1cncn1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065404793 472934881 /nfs/dbraw/zinc/93/48/81/472934881.db2.gz BUBOOBGJCBHQSB-LJQANCHMSA-N 0 0 338.411 2.525 50 0 EFAARN O=C1C[C@@H](c2cnc3ccccc3n2)c2c(n[nH]c2-c2cccnc2)N1 ZINC000065406710 472935501 /nfs/dbraw/zinc/93/55/01/472935501.db2.gz FIVRNDNXIDPLIE-LBPRGKRZSA-N 0 0 342.362 2.889 50 0 EFAARN COC[C@@H](c1ccccn1)N(C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000065406629 472935561 /nfs/dbraw/zinc/93/55/61/472935561.db2.gz QGSSQAMILRIVOB-SFHVURJKSA-N 0 0 327.428 2.956 50 0 EFAARN CCCn1cnnc1CNc1ncc2c(n1)CCN2c1ccccc1 ZINC000065408129 472936227 /nfs/dbraw/zinc/93/62/27/472936227.db2.gz YYLGFSHXGMDDJS-UHFFFAOYSA-N 0 0 335.415 2.784 50 0 EFAARN CCn1nc(C)c(NC(=O)CN[C@@H](C)c2cn3ccsc3n2)c1C ZINC000065419095 472938974 /nfs/dbraw/zinc/93/89/74/472938974.db2.gz HKGVHVGHFYRIMF-JTQLQIEISA-N 0 0 346.460 2.518 50 0 EFAARN CC(C)c1nccn1[C@H](C)C(=O)NCCc1cnc2ccccn12 ZINC000065424399 472939661 /nfs/dbraw/zinc/93/96/61/472939661.db2.gz YGTSJADCMIPTKN-CQSZACIVSA-N 0 0 325.416 2.574 50 0 EFAARN CCSCc1nc2c([nH]1)C(=O)NC[C@@H](c1cccc(OC)c1)C2 ZINC000065427279 472940202 /nfs/dbraw/zinc/94/02/02/472940202.db2.gz KEMCZWOBAOESSQ-LBPRGKRZSA-N 0 0 331.441 2.741 50 0 EFAARN C[C@@H](C(=O)Nc1nccs1)N(Cc1ccc2c(c1)OCO2)C1CC1 ZINC000065425330 472940471 /nfs/dbraw/zinc/94/04/71/472940471.db2.gz BATJZTIUSGWFBR-NSHDSACASA-N 0 0 345.424 2.863 50 0 EFAARN COc1cccc2c1OCCCN([C@@H](C)C(=O)NC1CCCC1)C2 ZINC000065426921 472940613 /nfs/dbraw/zinc/94/06/13/472940613.db2.gz CELWDHFEXGZABJ-AWEZNQCLSA-N 0 0 332.444 2.727 50 0 EFAARN CCc1csc(CCNC(=O)[C@H](c2cccc(C)c2)N(C)C)n1 ZINC000065433585 472941319 /nfs/dbraw/zinc/94/13/19/472941319.db2.gz BEMSTUMTQHDNOQ-KRWDZBQOSA-N 0 0 331.485 2.976 50 0 EFAARN Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@H]2c1cnn2cccnc12 ZINC000065431915 472941905 /nfs/dbraw/zinc/94/19/05/472941905.db2.gz DQQWJOGSESEYBF-ZDUSSCGKSA-N 0 0 344.378 2.604 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3C)cn1 ZINC000065429659 472941981 /nfs/dbraw/zinc/94/19/81/472941981.db2.gz WDTPRHCGNUQTFF-AWEZNQCLSA-N 0 0 334.379 2.965 50 0 EFAARN COC[C@H](NC(=O)c1ccc2cccc(Cl)c2n1)c1ccnn1C ZINC000065435962 472942791 /nfs/dbraw/zinc/94/27/91/472942791.db2.gz SEVLVIPHMQTJMM-AWEZNQCLSA-N 0 0 344.802 2.739 50 0 EFAARN COc1ccccc1-c1cccc(C(=O)N[C@H]2COC[C@@H]2OC)c1 ZINC000065451434 472944766 /nfs/dbraw/zinc/94/47/66/472944766.db2.gz ZEJXHNMAANWPLV-WMZOPIPTSA-N 0 0 327.380 2.506 50 0 EFAARN CC[C@H](C)n1nccc1NC(=O)c1c(C)c(C)sc1-n1cnnn1 ZINC000065451915 472945789 /nfs/dbraw/zinc/94/57/89/472945789.db2.gz FQFNGDHQXWIWNA-VIFPVBQESA-N 0 0 345.432 2.760 50 0 EFAARN 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O=C([O-])Cn1ccc([C@@H]2CCC[N@H+](CCCOc3ccccc3)C2)n1 ZINC000426442837 477710934 /nfs/dbraw/zinc/71/09/34/477710934.db2.gz FHUWGTOSIISKQD-MRXNPFEDSA-N 0 0 343.427 2.616 50 0 EFAARN Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCC(c3ccncc3)CC2)n1 ZINC000426518151 477711905 /nfs/dbraw/zinc/71/19/05/477711905.db2.gz AZJSBSLYVOFJAU-OAHLLOKOSA-N 0 0 341.459 2.873 50 0 EFAARN CO[C@]12CCN(c3ccnc(C)n3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426513535 477711975 /nfs/dbraw/zinc/71/19/75/477711975.db2.gz DKYYIGYEIBKOMD-JTDSTZFVSA-N 0 0 340.427 2.775 50 0 EFAARN CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc4[nH]ccc4c3)[C@H]2C1 ZINC000426506676 477712283 /nfs/dbraw/zinc/71/22/83/477712283.db2.gz NQUSFMJLAXDVKE-HHXXYDBFSA-N 0 0 328.412 2.967 50 0 EFAARN CN(Cc1cc(-c2ccccn2)no1)C(=O)c1onc2c1CCCC2 ZINC000426526495 477713783 /nfs/dbraw/zinc/71/37/83/477713783.db2.gz UYGSYBZQVNGHCX-UHFFFAOYSA-N 0 0 338.367 2.876 50 0 EFAARN CCCOC[C@@H]1CCN(C(=O)NCCc2nc3ccccc3n2C)C1 ZINC000426526866 477715428 /nfs/dbraw/zinc/71/54/28/477715428.db2.gz MISIFLRNKHTDNI-OAHLLOKOSA-N 0 0 344.459 2.574 50 0 EFAARN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)NCCc1c[nH]cn1 ZINC000426531572 477715443 /nfs/dbraw/zinc/71/54/43/477715443.db2.gz JJYLZMBTHYDNLG-IBGZPJMESA-N 0 0 326.444 2.962 50 0 EFAARN CCCOC[C@H]1CCN(C(=O)NCCc2nc3ccccc3n2C)C1 ZINC000426526865 477715868 /nfs/dbraw/zinc/71/58/68/477715868.db2.gz MISIFLRNKHTDNI-HNNXBMFYSA-N 0 0 344.459 2.574 50 0 EFAARN Cc1ncc(C(=O)N2CCC[C@@H](c3ncon3)C2)c(-c2ccccc2)n1 ZINC000426533830 477717519 /nfs/dbraw/zinc/71/75/19/477717519.db2.gz SXTAWSGIHYHNND-OAHLLOKOSA-N 0 0 349.394 2.855 50 0 EFAARN COc1cccc(CCNC(=O)c2ccnc(C(C)C)n2)c1OC ZINC000426548483 477718510 /nfs/dbraw/zinc/71/85/10/477718510.db2.gz IXDFBSGGDPDAIB-UHFFFAOYSA-N 0 0 329.400 2.590 50 0 EFAARN Cc1cnc2nc(-c3ccc([C@@H](C)N4CCOCC4)cc3)cnc2n1 ZINC000426541807 477718579 /nfs/dbraw/zinc/71/85/79/477718579.db2.gz ZGCIVMLPVKAOFC-CQSZACIVSA-N 0 0 335.411 2.788 50 0 EFAARN C[C@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)N1CCOCC1 ZINC000426544659 477718886 /nfs/dbraw/zinc/71/88/86/477718886.db2.gz FWLRFSLRZNYNKX-LLVKDONJSA-N 0 0 340.349 2.894 50 0 EFAARN O=C(NCCCN1CCOCC1)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426552325 477720081 /nfs/dbraw/zinc/72/00/81/477720081.db2.gz KXXAHYFJHJIGDV-NRFANRHFSA-N 0 0 342.483 2.727 50 0 EFAARN CCn1cc(CN(C)CC(=O)N[C@H](C)c2ccc(C)cc2)c(C)n1 ZINC000426551065 477720672 /nfs/dbraw/zinc/72/06/72/477720672.db2.gz HROKXLKCOBJRKD-OAHLLOKOSA-N 0 0 328.460 2.829 50 0 EFAARN Cn1c(C(=O)N2CCC(n3cnnc3)CC2)cc2cccc(Cl)c21 ZINC000426578522 477721790 /nfs/dbraw/zinc/72/17/90/477721790.db2.gz BVAAFRGHJZRJFB-UHFFFAOYSA-N 0 0 343.818 2.901 50 0 EFAARN Nc1ncc(-c2cccc(C(=O)NCCCOC3CCCC3)c2)cn1 ZINC000426575168 477722532 /nfs/dbraw/zinc/72/25/32/477722532.db2.gz UUDHGTFDXNPSRV-UHFFFAOYSA-N 0 0 340.427 2.805 50 0 EFAARN O=C(N[C@H]1CC[C@H](O)CC1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000426589778 477723113 /nfs/dbraw/zinc/72/31/13/477723113.db2.gz NBANDASBOXVJAQ-XEZPLFJOSA-N 0 0 346.406 2.852 50 0 EFAARN CCOC1CCN(C(=O)c2ccc(-c3ncccc3N)cc2)CC1 ZINC000426606793 477724913 /nfs/dbraw/zinc/72/49/13/477724913.db2.gz SSHDXWMQERBMBS-UHFFFAOYSA-N 0 0 325.412 2.972 50 0 EFAARN CCCn1nc(C)c(NC(=O)N2CCN(c3cccnc3)CC2)c1C ZINC000426612446 477726346 /nfs/dbraw/zinc/72/63/46/477726346.db2.gz AXRMDQCKYGUKMX-UHFFFAOYSA-N 0 0 342.447 2.659 50 0 EFAARN COc1cccc(-n2cc(CNC(=O)N3C[C@H]4C[C@@H]3CCC4)cn2)c1 ZINC000426624782 477727698 /nfs/dbraw/zinc/72/76/98/477727698.db2.gz PGVRXWWFRVHJBS-ZBFHGGJFSA-N 0 0 340.427 2.965 50 0 EFAARN CCN(CCOc1cccc(Cl)c1)C(=O)NCC1(C)COC1 ZINC000426623165 477727951 /nfs/dbraw/zinc/72/79/51/477727951.db2.gz DXKWGAWTBXKLJI-UHFFFAOYSA-N 0 0 326.824 2.787 50 0 EFAARN CSCCCNC(=O)[C@H](Nc1ncnc2ccccc21)C(C)C ZINC000426643055 477730500 /nfs/dbraw/zinc/73/05/00/477730500.db2.gz VCRJKDMUAMPAPL-OAHLLOKOSA-N 0 0 332.473 2.936 50 0 EFAARN Cc1nc(NCc2cnn(Cc3ccccc3)c2)cc([C@H]2CCOC2)n1 ZINC000426641588 477730744 /nfs/dbraw/zinc/73/07/44/477730744.db2.gz UDOLDMCXEJKGSB-SFHVURJKSA-N 0 0 349.438 3.146 50 0 EFAARN COCCN(C)C(=O)NCc1cnc(-c2ccccc2OC)s1 ZINC000426652169 477733186 /nfs/dbraw/zinc/73/31/86/477733186.db2.gz XXFZSKXZBUTQMU-UHFFFAOYSA-N 0 0 335.429 2.607 50 0 EFAARN O=C(NCc1nnc(-c2ccccc2)[nH]1)c1cnn(-c2ccccc2)c1 ZINC000426658204 477734559 /nfs/dbraw/zinc/73/45/59/477734559.db2.gz JRXOMRMLGLAIMU-UHFFFAOYSA-N 0 0 344.378 2.587 50 0 EFAARN O=C([O-])Cn1ccc([C@H]2CCC[N@@H+](Cc3cccc(O)c3Cl)C2)n1 ZINC000426667360 477734973 /nfs/dbraw/zinc/73/49/73/477734973.db2.gz JGKHFHHLYMVMMM-LBPRGKRZSA-N 0 0 349.818 2.706 50 0 EFAARN O=C(NCc1noc([C@@H]2CCCO2)n1)c1cnoc1-c1ccccc1 ZINC000426689944 477738539 /nfs/dbraw/zinc/73/85/39/477738539.db2.gz SUTPEMUVMFXEGS-ZDUSSCGKSA-N 0 0 340.339 2.506 50 0 EFAARN CC(C)c1nc(-c2ccc(C(=O)NCCc3c[nH]cn3)cc2)no1 ZINC000426690786 477738740 /nfs/dbraw/zinc/73/87/40/477738740.db2.gz YJVQPAMIJCIPIT-UHFFFAOYSA-N 0 0 325.372 2.556 50 0 EFAARN COc1ccc(CN(C)C(=O)NC[C@@H]2CCCO2)c2cccnc12 ZINC000426693713 477739189 /nfs/dbraw/zinc/73/91/89/477739189.db2.gz KCIWGQRVGNFLNG-AWEZNQCLSA-N 0 0 329.400 2.564 50 0 EFAARN Cc1nccn1[C@H](C)CC(=O)N1CCC(OCc2ccccn2)CC1 ZINC000426707162 477740952 /nfs/dbraw/zinc/74/09/52/477740952.db2.gz HHZUOLIISYTIGJ-OAHLLOKOSA-N 0 0 342.443 2.745 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2ccc3nsnc3c2)n1 ZINC000426723885 477743719 /nfs/dbraw/zinc/74/37/19/477743719.db2.gz OCHDFQDLBWRGIO-CYBMUJFWSA-N 0 0 341.440 2.930 50 0 EFAARN CC[C@H](NC(=O)N(CCOC)Cc1cccs1)c1ccnn1C ZINC000534575962 478157675 /nfs/dbraw/zinc/15/76/75/478157675.db2.gz NCUOTDVNRNINRZ-AWEZNQCLSA-N 0 0 336.461 2.791 50 0 EFAARN Cc1nn(C)cc1-c1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 ZINC000534591823 478160609 /nfs/dbraw/zinc/16/06/09/478160609.db2.gz SSRXRPQJPXEZTG-OAHLLOKOSA-N 0 0 327.428 2.942 50 0 EFAARN CCC[C@@H](CC)NC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000534591717 478160682 /nfs/dbraw/zinc/16/06/82/478160682.db2.gz AXELRJDZIOHYJY-OAHLLOKOSA-N 0 0 335.423 2.758 50 0 EFAARN O=C(CCCc1cccs1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000534592078 478161935 /nfs/dbraw/zinc/16/19/35/478161935.db2.gz HFDKKNVSBGKNFS-UHFFFAOYSA-N 0 0 327.413 2.567 50 0 EFAARN CC[C@@H](NC(=O)c1cnoc1-c1ccccc1)c1ncnn1CC ZINC000534631838 478163535 /nfs/dbraw/zinc/16/35/35/478163535.db2.gz BAMYJLZAAPMTBP-CQSZACIVSA-N 0 0 325.372 2.834 50 0 EFAARN CN(CC(=O)NC1(c2ccc(Cl)cc2)CC1)Cc1ccncc1 ZINC000534633010 478163865 /nfs/dbraw/zinc/16/38/65/478163865.db2.gz XUXAIZOQEJUIKD-UHFFFAOYSA-N 0 0 329.831 2.972 50 0 EFAARN CCOc1ccc(Cl)cc1-c1cncc(C(=O)N2CCOCC2)n1 ZINC000534642866 478164037 /nfs/dbraw/zinc/16/40/37/478164037.db2.gz QABASEBUPAYPLG-UHFFFAOYSA-N 0 0 347.802 2.668 50 0 EFAARN O=C(NCC[C@@H]1CCCOC1)c1cnc(Nc2ccccc2)nc1 ZINC000534642180 478164075 /nfs/dbraw/zinc/16/40/75/478164075.db2.gz QVGCZCJCLLBHKK-AWEZNQCLSA-N 0 0 326.400 2.767 50 0 EFAARN O=C(NCc1csc2c1CCCC2)N(CCO)Cc1ccco1 ZINC000534639415 478165098 /nfs/dbraw/zinc/16/50/98/478165098.db2.gz KFMDGWQUSTYMLW-UHFFFAOYSA-N 0 0 334.441 2.924 50 0 EFAARN CCn1ccnc1CN(C)C(=O)NCc1nc(C2CCCCC2)no1 ZINC000534646513 478165655 /nfs/dbraw/zinc/16/56/55/478165655.db2.gz VPLLNYZNLCBIAN-UHFFFAOYSA-N 0 0 346.435 2.675 50 0 EFAARN CSCc1noc(CNC(=O)N2CCCC[C@H]2c2ccccn2)n1 ZINC000534644718 478165676 /nfs/dbraw/zinc/16/56/76/478165676.db2.gz HIROBSUZLKAWMJ-ZDUSSCGKSA-N 0 0 347.444 2.764 50 0 EFAARN CN(C)C(=O)CCNC(=O)N1CCCC[C@@H]1CCc1cccs1 ZINC000534655036 478167534 /nfs/dbraw/zinc/16/75/34/478167534.db2.gz LONSUTYNNAPTRY-CQSZACIVSA-N 0 0 337.489 2.723 50 0 EFAARN CNC(=O)CCCNC(=O)N(Cc1ccc(SC)cc1)C1CC1 ZINC000534676106 478168364 /nfs/dbraw/zinc/16/83/64/478168364.db2.gz NRYIKHZSPYTUTA-UHFFFAOYSA-N 0 0 335.473 2.609 50 0 EFAARN COc1ccc(NC2(C(=O)NCc3cccnc3N)CCCC2)cc1 ZINC000534673884 478168807 /nfs/dbraw/zinc/16/88/07/478168807.db2.gz YGPPPAAKTJXIRD-UHFFFAOYSA-N 0 0 340.427 2.714 50 0 EFAARN COCC1(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CCCC1 ZINC000534666991 478168905 /nfs/dbraw/zinc/16/89/05/478168905.db2.gz DZBULLBGHBFVFO-MRXNPFEDSA-N 0 0 334.464 2.512 50 0 EFAARN O=C(CCC(=O)NC1CCCC1)Nc1cccc(-n2cccn2)c1 ZINC000535896437 478235946 /nfs/dbraw/zinc/23/59/46/478235946.db2.gz PFLFSNKYPYIXRU-UHFFFAOYSA-N 0 0 326.400 2.650 50 0 EFAARN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000520248268 478290275 /nfs/dbraw/zinc/29/02/75/478290275.db2.gz WYMGVBDMUGTADX-CYBMUJFWSA-N 0 0 335.450 2.640 50 0 EFAARN O=C(CC1(n2cccc2)CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000524729021 478389486 /nfs/dbraw/zinc/38/94/86/478389486.db2.gz HHZJYAZCPZYPAO-XLIONFOSSA-N 0 0 346.471 2.538 50 0 biogenic EFAARN Cc1cc(S(=O)(=O)NCC[C@@H]2CCCOC2)c(Cl)cc1F ZINC000528452328 478782087 /nfs/dbraw/zinc/78/20/87/478782087.db2.gz VWCKTOINARVPLO-NSHDSACASA-N 0 0 335.828 2.883 50 0 EFAARN COc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1)CCCCC2 ZINC000583648792 478904999 /nfs/dbraw/zinc/90/49/99/478904999.db2.gz OPLJFDGEMZORCS-UHFFFAOYSA-N 0 0 330.359 2.975 50 0 EFAARN CN(Cc1ccccc1Cl)C(=O)N[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000584887373 479270755 /nfs/dbraw/zinc/27/07/55/479270755.db2.gz HPJMCTFRNOQTKB-HNNXBMFYSA-N 0 0 349.862 2.882 50 0 EFAARN Cc1csc2c1ncn(Cc1nc(C)c3c(n1)CCCC3)c2=O ZINC000584886384 479270769 /nfs/dbraw/zinc/27/07/69/479270769.db2.gz NIUGHDRTPBPLDL-UHFFFAOYSA-N 0 0 326.425 2.792 50 0 EFAARN Cc1ccc2ncn(C3CCN(C(=O)N4CCCC4)CC3)c(=O)c2c1 ZINC000584887348 479271365 /nfs/dbraw/zinc/27/13/65/479271365.db2.gz HNQCJBVUXUKWHT-UHFFFAOYSA-N 0 0 340.427 2.558 50 0 EFAARN COc1ccc2ncn(CCc3nc4cc(C)ccc4[nH]3)c(=O)c2c1 ZINC000584887399 479271599 /nfs/dbraw/zinc/27/15/99/479271599.db2.gz FYHUIYUCSNPFKA-UHFFFAOYSA-N 0 0 334.379 2.833 50 0 EFAARN COc1ccccc1OCCCN(C)C(=O)N[C@H](C)c1nc(C)no1 ZINC000584889723 479272422 /nfs/dbraw/zinc/27/24/22/479272422.db2.gz LYSKGQLGCMSTGD-GFCCVEGCSA-N 0 0 348.403 2.558 50 0 EFAARN CC(C)c1noc([C@@H](C)NC(=O)CCC(=O)N2CCCCCC2)n1 ZINC000584891682 479273137 /nfs/dbraw/zinc/27/31/37/479273137.db2.gz XEDSAVCPSJYQKB-CYBMUJFWSA-N 0 0 336.436 2.553 50 0 EFAARN CCCO[C@H]1CCCN(C(=O)NCc2ccc3[nH]c(C)nc3c2)C1 ZINC000584888483 479273352 /nfs/dbraw/zinc/27/33/52/479273352.db2.gz PJIQYXCCCAFXGD-HNNXBMFYSA-N 0 0 330.432 2.972 50 0 EFAARN CSCc1nc(CNC(=O)N(C)Cc2cc(C)no2)cs1 ZINC000584890275 479273386 /nfs/dbraw/zinc/27/33/86/479273386.db2.gz LWNIHHNKUFNDAR-UHFFFAOYSA-N 0 0 326.447 2.644 50 0 EFAARN CCc1nnc(CNC(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)s1 ZINC000584890144 479273472 /nfs/dbraw/zinc/27/34/72/479273472.db2.gz VDMSXGBBHIYLJF-UHFFFAOYSA-N 0 0 344.444 2.627 50 0 EFAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nccc(N)n3)cc2)on1 ZINC000584894404 479274234 /nfs/dbraw/zinc/27/42/34/479274234.db2.gz BCMUTYQBLDINNZ-HNNXBMFYSA-N 0 0 349.394 2.830 50 0 EFAARN Cc1nc(Cn2cnc3sc4c(c3c2=O)CCCCC4)cc(=O)[nH]1 ZINC000584893897 479274544 /nfs/dbraw/zinc/27/45/44/479274544.db2.gz MDAFOMWFKNBPHV-UHFFFAOYSA-N 0 0 342.424 2.579 50 0 EFAARN CCC[C@@H](C(=O)N1CCOc2ccc(CO)cc2C1)n1cccc1 ZINC000584894635 479274622 /nfs/dbraw/zinc/27/46/22/479274622.db2.gz VCFHDUJRAYUTCT-KRWDZBQOSA-N 0 0 328.412 2.743 50 0 EFAARN Cc1nnc([C@H]2CCCN(C(=O)C(C)(C)Nc3ccccc3)C2)[nH]1 ZINC000584897125 479275083 /nfs/dbraw/zinc/27/50/83/479275083.db2.gz BAIMJMOONUENIQ-AWEZNQCLSA-N 0 0 327.432 2.710 50 0 EFAARN COCCC[C@@H]1CCCCN1C(=O)NCCc1noc(C(C)C)n1 ZINC000584898659 479275520 /nfs/dbraw/zinc/27/55/20/479275520.db2.gz SGRDHRHUTFMREB-AWEZNQCLSA-N 0 0 338.452 2.726 50 0 EFAARN CC[C@@H](NC(=O)Cc1ncccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000584899514 479275879 /nfs/dbraw/zinc/27/58/79/479275879.db2.gz PXADYDRSCBGMAH-MRXNPFEDSA-N 0 0 346.452 2.604 50 0 EFAARN Cc1nnc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)c2ccccc12 ZINC000584898931 479275921 /nfs/dbraw/zinc/27/59/21/479275921.db2.gz PQVUYWUWOMVJPV-MRXNPFEDSA-N 0 0 333.391 2.812 50 0 EFAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCc1cn[nH]n1 ZINC000584900966 479276795 /nfs/dbraw/zinc/27/67/95/479276795.db2.gz XZUNAOGQSMUKBW-UHFFFAOYSA-N 0 0 341.371 2.625 50 0 EFAARN COCCN(Cc1ccccn1)C(=O)NCc1cc(C(C)C)on1 ZINC000584903579 479277061 /nfs/dbraw/zinc/27/70/61/479277061.db2.gz AWRLOHSTGMFYOR-UHFFFAOYSA-N 0 0 332.404 2.551 50 0 EFAARN COc1n[nH]c(-c2ccc(C(=O)N[C@H](C)c3csc(C)n3)cc2)n1 ZINC000584900193 479277077 /nfs/dbraw/zinc/27/70/77/479277077.db2.gz WJUYUIBTFIHAIE-SECBINFHSA-N 0 0 343.412 2.736 50 0 EFAARN O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)N1CCSCC1 ZINC000584901593 479277203 /nfs/dbraw/zinc/27/72/03/479277203.db2.gz XDTPNYUOZVSSDG-CYBMUJFWSA-N 0 0 339.892 2.925 50 0 EFAARN COc1ccc([C@]2(C(=O)NCc3csc(N)n3)CC2(C)C)cc1 ZINC000584902318 479277346 /nfs/dbraw/zinc/27/73/46/479277346.db2.gz YCQSRFXCBJOSQA-KRWDZBQOSA-N 0 0 331.441 2.718 50 0 EFAARN CCc1ocnc1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 ZINC000584904150 479277874 /nfs/dbraw/zinc/27/78/74/479277874.db2.gz GYUJJMNBFLMMFY-HNNXBMFYSA-N 0 0 328.416 2.589 50 0 EFAARN COC(=O)[C@@H]1CO[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)S1 ZINC000584904311 479278207 /nfs/dbraw/zinc/27/82/07/479278207.db2.gz IDORCFZPNOJAMP-MXOJCPGVSA-N 0 0 330.446 2.622 50 0 EFAARN Cc1nc([C@@H](Nc2ccc(C(F)(F)F)cn2)c2cnn(C)c2)no1 ZINC000585135093 479295290 /nfs/dbraw/zinc/29/52/90/479295290.db2.gz XCCMHQYCNDRVCK-LBPRGKRZSA-N 0 0 338.293 2.727 50 0 EFAARN CSc1ccc(NC(=O)NCc2nc(N(C)C)n[nH]2)cc1Cl ZINC000585135758 479295499 /nfs/dbraw/zinc/29/54/99/479295499.db2.gz ADKCZKZINQTPTF-UHFFFAOYSA-N 0 0 340.840 2.568 50 0 EFAARN Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cccc2c1CCOC2 ZINC000585132838 479295537 /nfs/dbraw/zinc/29/55/37/479295537.db2.gz ZZCBRQXCIQRGGV-HXUWFJFHSA-N 0 0 336.435 2.741 50 0 EFAARN Cc1cc(N2CCC[C@H](c3c[nH]c4ncccc34)C2)n2ncnc2n1 ZINC000585132607 479295708 /nfs/dbraw/zinc/29/57/08/479295708.db2.gz FLZVPPQMNPFGJG-ZDUSSCGKSA-N 0 0 333.399 2.693 50 0 EFAARN CCCn1c2ccccc2n(CC)/c1=N/C[C@H]1CCCS(=O)(=O)C1 ZINC000585136997 479296501 /nfs/dbraw/zinc/29/65/01/479296501.db2.gz BUCNYIAVTPDDGK-RAJOGRCSSA-N 0 0 349.500 2.598 50 0 EFAARN CCOCCC(=O)OC[C@](C)(O)c1ccc(Br)cc1 ZINC000585136283 479296556 /nfs/dbraw/zinc/29/65/56/479296556.db2.gz ZUTLKDKVRLPXEY-AWEZNQCLSA-N 0 0 331.206 2.626 50 0 EFAARN CO[C@@H](C)CS(=O)(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000585136854 479296596 /nfs/dbraw/zinc/29/65/96/479296596.db2.gz VWNBNQHCXGZBGA-ZETCQYMHSA-N 0 0 338.307 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COc1ccc([C@H](NC(=O)c2cncs2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244893998 536928716 /nfs/dbraw/zinc/92/87/16/536928716.db2.gz YXXXGOGLUXHSES-RWSFTLGLSA-N 0 0 336.388 2.533 50 0 EFAARN COc1ccccc1-c1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1 ZINC000218967592 536971588 /nfs/dbraw/zinc/97/15/88/536971588.db2.gz GETCJGBUOZADEO-IEBWSBKVSA-N 0 0 341.407 2.896 50 0 EFAARN COc1ccccc1CCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000222757058 537026301 /nfs/dbraw/zinc/02/63/01/537026301.db2.gz WZPCNTAMPQZDKJ-IEBWSBKVSA-N 0 0 347.455 2.718 50 0 EFAARN COc1ccccc1N1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000055564329 537069040 /nfs/dbraw/zinc/06/90/40/537069040.db2.gz ZLGWQXQPUDQDQQ-INIZCTEOSA-N 0 0 345.487 2.655 50 0 EFAARN COc1ccccc1OCC(=O)N[C@@H](C)Cc1ccc2c(c1)CCO2 ZINC000225598324 537090652 /nfs/dbraw/zinc/09/06/52/537090652.db2.gz STQFCUGECHYWAS-AWEZNQCLSA-N 0 0 341.407 2.756 50 0 EFAARN Cc1ccnc2ccc(C(=O)N[C@H]3CCN(c4ccccn4)C3)cc12 ZINC000206827203 545556976 /nfs/dbraw/zinc/55/69/76/545556976.db2.gz 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/nfs/dbraw/zinc/48/79/61/547487961.db2.gz BDEGHUUQVFREMI-CYBMUJFWSA-N 0 0 328.412 2.942 50 0 EFAARN COCc1nc(-c2ccc(N3CCCC3=O)cc2)n(-c2cccnc2)n1 ZINC000670439061 547489122 /nfs/dbraw/zinc/48/91/22/547489122.db2.gz MWPVDHNWGVDOCJ-UHFFFAOYSA-N 0 0 349.394 2.603 50 0 EFAARN COc1ccc2[nH]c(CNC(=O)c3csc(CN(C)C)n3)cc2c1 ZINC000670436356 547489225 /nfs/dbraw/zinc/48/92/25/547489225.db2.gz VQLGQZAXQFMXKT-UHFFFAOYSA-N 0 0 344.440 2.625 50 0 EFAARN COc1cc(F)c(CN2CCC(O)(c3ccccn3)CC2)cc1OC ZINC000670440487 547489298 /nfs/dbraw/zinc/48/92/98/547489298.db2.gz YAILATXLLXHQAF-UHFFFAOYSA-N 0 0 346.402 2.722 50 0 EFAARN COCCc1nc([C@H]2CCCO2)n(-c2cc(Cl)ccc2OC)n1 ZINC000670439892 547489447 /nfs/dbraw/zinc/48/94/47/547489447.db2.gz MMJHFHUOHINAOJ-CQSZACIVSA-N 0 0 337.807 2.970 50 0 EFAARN CC(C)[C@H](CNC(=O)c1cc(=O)c2cccc(F)c2[n-]1)[NH+]1CCCC1 ZINC000670441788 547489951 /nfs/dbraw/zinc/48/99/51/547489951.db2.gz XEYVVTZKKZANMJ-INIZCTEOSA-N 0 0 345.418 2.930 50 0 EFAARN Cc1ccc(CS(=O)(=O)NCCCn2ccnc2C(C)C)cc1 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COc1ncccc1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000071796258 215831901 /nfs/dbraw/zinc/83/19/01/215831901.db2.gz SYPRGPHYYDIUOC-UHFFFAOYSA-N 0 0 326.396 2.912 50 0 EFAARN Cc1ccc(S(=O)(=O)c2cnc(N3CCCCCC3)nc2N)cc1 ZINC000071771764 215824210 /nfs/dbraw/zinc/82/42/10/215824210.db2.gz VTCLPCBZJFUIPN-UHFFFAOYSA-N 0 0 346.456 2.580 50 0 EFAARN CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 ZINC000000427249 209591289 /nfs/dbraw/zinc/59/12/89/209591289.db2.gz MDVBMOOGRQNJPS-UHFFFAOYSA-N 0 0 344.845 2.661 50 0 EFAARN CC[C@H](C)Sc1nnc(NC(=O)C2CCN(C(C)=O)CC2)s1 ZINC000033359526 212930471 /nfs/dbraw/zinc/93/04/71/212930471.db2.gz VLDOADRYOMZFSU-VIFPVBQESA-N 0 0 342.490 2.626 50 0 EFAARN COc1ccc(CCNC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 ZINC000033089028 212899038 /nfs/dbraw/zinc/89/90/38/212899038.db2.gz XNSYNZXGCFIHOU-UHFFFAOYSA-N 0 0 348.402 2.539 50 0 biogenic EFAARN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(OC(C)C)cc1 ZINC000009820619 283422775 /nfs/dbraw/zinc/42/27/75/283422775.db2.gz IYRXOKIQWWIWRR-SFHVURJKSA-N 0 0 338.407 2.791 50 0 EFAARN COc1ccc(-c2nnc3sc(-c4cnn(C)c4C)nn32)cc1 ZINC000032106655 212790043 /nfs/dbraw/zinc/79/00/43/212790043.db2.gz OAONYOKFRVXXGQ-UHFFFAOYSA-N 0 0 326.385 2.570 50 0 EFAARN Fc1ccccc1-c1cc(NCc2nnc3n2CCC3)n2nccc2n1 ZINC000072128262 216018664 /nfs/dbraw/zinc/01/86/64/216018664.db2.gz LDYWQXZPNALCPS-UHFFFAOYSA-N 0 0 349.373 2.685 50 0 EFAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC(C)C ZINC000072117510 216012066 /nfs/dbraw/zinc/01/20/66/216012066.db2.gz SSHYBULKNIHQEW-ZDUSSCGKSA-N 0 0 329.400 2.998 50 0 EFAARN Cn1ncc2c1nc(CCc1ccccc1)nc2NC[C@@H]1CCCO1 ZINC000072120803 216013954 /nfs/dbraw/zinc/01/39/54/216013954.db2.gz JPOWXUVAXRBXBB-HNNXBMFYSA-N 0 0 337.427 2.739 50 0 EFAARN O=C(CCCn1nnc2ccccc2c1=O)NC1CCCCCCC1 ZINC000032088069 212785534 /nfs/dbraw/zinc/78/55/34/212785534.db2.gz HIDZQIBVACXBHC-UHFFFAOYSA-N 0 0 342.443 2.801 50 0 EFAARN Cc1cccc2c(CCNS(=O)(=O)NCc3ccccc3)c[nH]c21 ZINC000072122295 216014699 /nfs/dbraw/zinc/01/46/99/216014699.db2.gz LXJSBNCLBSHODP-UHFFFAOYSA-N 0 0 343.452 2.643 50 0 EFAARN CC/C=C/CC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 ZINC000072121836 216014911 /nfs/dbraw/zinc/01/49/11/216014911.db2.gz DXLUPQOGXZFQBX-QDLOVBKTSA-N 0 0 334.847 2.956 50 0 EFAARN CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1csc(C)n1)CC2 ZINC000072122271 216014975 /nfs/dbraw/zinc/01/49/75/216014975.db2.gz PRFSTDVACKVUKE-OAHLLOKOSA-N 0 0 337.489 2.603 50 0 EFAARN Cn1ccc(NC(=O)CN2CCC[C@@H](CCc3ccc(F)cc3)C2)n1 ZINC000072130715 216020171 /nfs/dbraw/zinc/02/01/71/216020171.db2.gz ZVAOMSUZZOBEDJ-INIZCTEOSA-N 0 0 344.434 2.843 50 0 EFAARN COCCn1cncc1CN1CCC(C(C)=O)(c2ccccc2)CC1 ZINC000072125703 216016620 /nfs/dbraw/zinc/01/66/20/216016620.db2.gz UKDXUHFQNXRGNJ-UHFFFAOYSA-N 0 0 341.455 2.652 50 0 EFAARN O=C1CC[C@@]2(CCCO2)CCN1Cc1nc(-c2ccccc2)no1 ZINC000072127143 216018258 /nfs/dbraw/zinc/01/82/58/216018258.db2.gz YGGIEFRJFDWSCT-SFHVURJKSA-N 0 0 327.384 2.798 50 0 EFAARN COc1cccc([C@@H]2CCCCN2CC(=O)Nc2cnn(C)c2)c1 ZINC000072127242 216018366 /nfs/dbraw/zinc/01/83/66/216018366.db2.gz PZHBLMUGYWIJFZ-KRWDZBQOSA-N 0 0 328.416 2.594 50 0 EFAARN Cn1ncc(CN2CCN(c3ncnc4ccccc43)CC2)c1C1CC1 ZINC000072138804 216026539 /nfs/dbraw/zinc/02/65/39/216026539.db2.gz PNTBITDYVGQDRD-UHFFFAOYSA-N 0 0 348.454 2.563 50 0 EFAARN CCc1cnc(C)nc1N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072140396 216027171 /nfs/dbraw/zinc/02/71/71/216027171.db2.gz DJNBVZOYXPPWBB-KRWDZBQOSA-N 0 0 342.418 2.742 50 0 EFAARN CC(C)C[C@@]1(CO)CCCN(c2ccnc(C(=O)NC(C)C)c2)C1 ZINC000072132013 216020339 /nfs/dbraw/zinc/02/03/39/216020339.db2.gz MQNPDEGMNAOAPD-IBGZPJMESA-N 0 0 333.476 2.845 50 0 EFAARN CCCc1cnc(C)nc1N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000072130834 216020885 /nfs/dbraw/zinc/02/08/85/216020885.db2.gz UOKFMFFTIDQUFD-INIZCTEOSA-N 0 0 338.455 2.905 50 0 EFAARN c1c(CN2CCC(Oc3ccncc3)CC2)nnn1-c1ccccc1 ZINC000072131912 216021193 /nfs/dbraw/zinc/02/11/93/216021193.db2.gz OVDSQEYQVUHCGK-UHFFFAOYSA-N 0 0 335.411 2.706 50 0 EFAARN O=C1C[C@@H](Nc2ncnc3c2CCC3)CN1CCCc1ccccc1 ZINC000072133631 216021677 /nfs/dbraw/zinc/02/16/77/216021677.db2.gz HZPAOQNEUWTJNA-MRXNPFEDSA-N 0 0 336.439 2.611 50 0 EFAARN Cc1cc(C)n(C[C@H](C)Nc2nc(C(C)C)nc3c2cnn3C)n1 ZINC000072142126 216027645 /nfs/dbraw/zinc/02/76/45/216027645.db2.gz IWOPOYFQHUUPHI-LBPRGKRZSA-N 0 0 327.436 2.801 50 0 EFAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2Cl)nc1C ZINC000072140640 216027689 /nfs/dbraw/zinc/02/76/89/216027689.db2.gz GTUIVMIIYTUKHB-UHFFFAOYSA-N 0 0 326.183 2.806 50 0 EFAARN CCOC(=O)CCNC(=O)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072135429 216023872 /nfs/dbraw/zinc/02/38/72/216023872.db2.gz DRARRNKGGLNCGF-AWEZNQCLSA-N 0 0 348.378 2.502 50 0 EFAARN CCc1ccccc1C(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000072137094 216024512 /nfs/dbraw/zinc/02/45/12/216024512.db2.gz HBIZBANFKABLJS-SFHVURJKSA-N 0 0 348.446 2.747 50 0 EFAARN CCCc1nc2c(cnn2C)c(N2CC(OCc3ccccc3)C2)n1 ZINC000072135623 216025316 /nfs/dbraw/zinc/02/53/16/216025316.db2.gz CLACFGNOJAJFJE-UHFFFAOYSA-N 0 0 337.427 2.721 50 0 EFAARN COc1c[nH]c(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)cc1=O ZINC000072138690 216026335 /nfs/dbraw/zinc/02/63/35/216026335.db2.gz GCTPAIDLOBSNMR-OAHLLOKOSA-N 0 0 342.374 2.736 50 0 EFAARN COCCNc1cc(-c2ccc(N3CCCC3)nn2)c2cc[nH]c2n1 ZINC000072143210 216028617 /nfs/dbraw/zinc/02/86/17/216028617.db2.gz RORKGGXLILBDPU-UHFFFAOYSA-N 0 0 338.415 2.678 50 0 EFAARN Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2nccc2n1 ZINC000072143499 216029158 /nfs/dbraw/zinc/02/91/58/216029158.db2.gz NASNBYQIKZYGLA-VMPITWQZSA-N 0 0 333.439 2.873 50 0 EFAARN CC(C)NC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000072143490 216029250 /nfs/dbraw/zinc/02/92/50/216029250.db2.gz QJNLFWRYKVIISJ-LBPRGKRZSA-N 0 0 330.354 2.777 50 0 EFAARN CN1C[C@@]2(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)OC1=O ZINC000072146243 216032697 /nfs/dbraw/zinc/03/26/97/216032697.db2.gz PZGIVQCEZQUATE-CQSZACIVSA-N 0 0 332.297 2.871 50 0 EFAARN CC(C)c1cc(NC[C@@H](O)COCc2ccccc2)n2nccc2n1 ZINC000072147007 216033263 /nfs/dbraw/zinc/03/32/63/216033263.db2.gz UQQJXAFESKGYSP-MRXNPFEDSA-N 0 0 340.427 2.842 50 0 EFAARN CCNc1ncc(-c2nccn2Cc2noc(-c3ccccc3)n2)cn1 ZINC000072147297 216033276 /nfs/dbraw/zinc/03/32/76/216033276.db2.gz GVTSPFHQJGVBAC-UHFFFAOYSA-N 0 0 347.382 2.870 50 0 EFAARN Cn1ncc2c1nc(C1CCCC1)nc2NCc1[nH]nc2c1CCC2 ZINC000072146773 216034230 /nfs/dbraw/zinc/03/42/30/216034230.db2.gz LDRBRNQFWQOSKR-UHFFFAOYSA-N 0 0 337.431 2.845 50 0 EFAARN Cc1cc(CNc2nc(CCc3ccccc3)nc3c2cnn3C)[nH]n1 ZINC000072146564 216034342 /nfs/dbraw/zinc/03/43/42/216034342.db2.gz AKUQOPAKCLSOIG-UHFFFAOYSA-N 0 0 347.426 2.792 50 0 EFAARN Cn1ncc2c1nc(C(C)(C)C)nc2N[C@H](CO)c1ccccc1 ZINC000072148231 216034608 /nfs/dbraw/zinc/03/46/08/216034608.db2.gz MJVOVUCKTDYXNW-CQSZACIVSA-N 0 0 325.416 2.806 50 0 EFAARN CCc1nnc(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)o1 ZINC000072150286 216038348 /nfs/dbraw/zinc/03/83/48/216038348.db2.gz QSTINUBFLGFIAY-UHFFFAOYSA-N 0 0 341.419 2.603 50 0 EFAARN CN1C[C@@]2(CCCN(C(=O)c3ccc4ncsc4c3)CC2)OC1=O ZINC000072150776 216039745 /nfs/dbraw/zinc/03/97/45/216039745.db2.gz ZFEKDLIKYRRKQA-KRWDZBQOSA-N 0 0 345.424 2.743 50 0 EFAARN CCCc1cc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)no1 ZINC000072151275 216039824 /nfs/dbraw/zinc/03/98/24/216039824.db2.gz PYBWZTORRUWDTF-UHFFFAOYSA-N 0 0 339.395 2.753 50 0 EFAARN COc1cc(CN2CCN(Cc3ccc(C)cc3)C(=O)C2)ccc1F ZINC000072152601 216040538 /nfs/dbraw/zinc/04/05/38/216040538.db2.gz SEMPKFOXKKQTQM-UHFFFAOYSA-N 0 0 342.414 2.987 50 0 EFAARN CN1C[C@]2(CCCN(C(=O)c3cc4sccc4[nH]3)CC2)OC1=O ZINC000072152270 216040840 /nfs/dbraw/zinc/04/08/40/216040840.db2.gz ZDGHRFRTSJMZQB-MRXNPFEDSA-N 0 0 333.413 2.676 50 0 EFAARN Cc1nc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 ZINC000072152143 216040891 /nfs/dbraw/zinc/04/08/91/216040891.db2.gz AXLNJMGLJNTTEQ-GVDBMIGSSA-N 0 0 346.381 2.723 50 0 EFAARN CC(C)NC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072148586 216035017 /nfs/dbraw/zinc/03/50/17/216035017.db2.gz OWGVTBCMNCMCBL-ZTFGCOKTSA-N 0 0 349.425 2.945 50 0 EFAARN O=C(c1cccc2ccnn21)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000072148827 216036752 /nfs/dbraw/zinc/03/67/52/216036752.db2.gz FGCWSYZRGLWWRC-KRWDZBQOSA-N 0 0 336.395 2.551 50 0 EFAARN CNC(=O)c1nc(CN2CCC[C@@H](CCc3ccccc3C)C2)no1 ZINC000072162087 216049978 /nfs/dbraw/zinc/04/99/78/216049978.db2.gz RXLJTZMRVCFNKP-HNNXBMFYSA-N 0 0 342.443 2.582 50 0 EFAARN CC(C)NC(=O)c1cc(N(C)Cc2ccc3nsnc3c2)ccn1 ZINC000072153028 216042338 /nfs/dbraw/zinc/04/23/38/216042338.db2.gz SMOXUCRHXUHZGO-UHFFFAOYSA-N 0 0 341.440 2.861 50 0 EFAARN CCCCOc1ccccc1C(=O)N1CCC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072154506 216043780 /nfs/dbraw/zinc/04/37/80/216043780.db2.gz ZKDONBJPEXLYQR-LJQANCHMSA-N 0 0 346.427 2.922 50 0 EFAARN COCc1nc2c(cnn2C)c(N[C@@H](C)c2cc(F)cc(F)c2)n1 ZINC000072154186 216043827 /nfs/dbraw/zinc/04/38/27/216043827.db2.gz IGPOWHZXDJWERZ-VIFPVBQESA-N 0 0 333.342 2.961 50 0 EFAARN c1c(CN2CCC[C@@H](OCc3cccnc3)C2)nnn1-c1ccccc1 ZINC000072154578 216044416 /nfs/dbraw/zinc/04/44/16/216044416.db2.gz RJNNAYGXZPGVBO-HXUWFJFHSA-N 0 0 349.438 2.844 50 0 EFAARN CCCn1ccnc1CN1CCC(c2nnc3n2CCCCC3)CC1 ZINC000072154495 216044432 /nfs/dbraw/zinc/04/44/32/216044432.db2.gz JUPFNGAMYSLIDA-UHFFFAOYSA-N 0 0 342.491 2.991 50 0 EFAARN Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)ccc1O ZINC000072155015 216045891 /nfs/dbraw/zinc/04/58/91/216045891.db2.gz JEZPWSWESOORIP-MRXNPFEDSA-N 0 0 330.428 2.612 50 0 EFAARN CCc1nc2c(cnn2C)c(N[C@@H](C)c2c(C)nn(CC)c2C)n1 ZINC000072163054 216052132 /nfs/dbraw/zinc/05/21/32/216052132.db2.gz VLTADTUDLCCEIJ-JTQLQIEISA-N 0 0 327.436 2.932 50 0 EFAARN CCc1nc2c(cnn2C)c(N[C@H](C)c2c(C)nn(CC)c2C)n1 ZINC000072163055 216052258 /nfs/dbraw/zinc/05/22/58/216052258.db2.gz VLTADTUDLCCEIJ-SNVBAGLBSA-N 0 0 327.436 2.932 50 0 EFAARN CN(Cc1cn(-c2ccccc2)nn1)Cc1cc(-c2ccncc2)no1 ZINC000072163064 216052351 /nfs/dbraw/zinc/05/23/51/216052351.db2.gz DWYUIANWYQKYNO-UHFFFAOYSA-N 0 0 346.394 2.949 50 0 EFAARN CN(C)C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072164438 216053116 /nfs/dbraw/zinc/05/31/16/216053116.db2.gz CFHVCQHKXXXJRW-KBRIMQKVSA-N 0 0 335.398 2.508 50 0 EFAARN COCc1nc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 ZINC000072164424 216053225 /nfs/dbraw/zinc/05/32/25/216053225.db2.gz FXFXOSVRYVTFLX-CYBMUJFWSA-N 0 0 331.351 2.569 50 0 EFAARN Cc1cccc2cc(CO)c(-c3cc(NCCO)nc4[nH]ccc43)nc12 ZINC000072165190 216054354 /nfs/dbraw/zinc/05/43/54/216054354.db2.gz WWSITFZRICSTHQ-UHFFFAOYSA-N 0 0 348.406 2.983 50 0 EFAARN O=C1C[C@@H](Nc2cnc3ccccc3n2)CN1Cc1ccc(F)cc1 ZINC000072165323 216054612 /nfs/dbraw/zinc/05/46/12/216054612.db2.gz PDGDRBVWIOHQIJ-OAHLLOKOSA-N 0 0 336.370 2.982 50 0 EFAARN CCCNC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072166688 216055822 /nfs/dbraw/zinc/05/58/22/216055822.db2.gz FFOQHXJAFORERU-RCCFBDPRSA-N 0 0 349.425 2.946 50 0 EFAARN CC(C)c1cc(NCCc2nc(-c3cccnc3)n[nH]2)n2nccc2n1 ZINC000072167170 216057010 /nfs/dbraw/zinc/05/70/10/216057010.db2.gz WOYJEPUQDXEMPF-UHFFFAOYSA-N 0 0 348.414 2.687 50 0 EFAARN Cc1nnnn1CCCN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072163534 216051485 /nfs/dbraw/zinc/05/14/85/216051485.db2.gz ZGSSWHZJJPDESB-MRXNPFEDSA-N 0 0 343.410 2.614 50 0 EFAARN O=C(NCc1nc(C2CCCCC2)no1)c1cccc2ccnn21 ZINC000072169625 216061282 /nfs/dbraw/zinc/06/12/82/216061282.db2.gz AVUVAGIEVVTKPJ-UHFFFAOYSA-N 0 0 325.372 2.695 50 0 EFAARN CC(C)c1cc(N[C@H]2CCCN(C(=O)C3CC3)C2)n2nccc2n1 ZINC000072170407 216061646 /nfs/dbraw/zinc/06/16/46/216061646.db2.gz UWVMCHJKYGJPPM-AWEZNQCLSA-N 0 0 327.432 2.666 50 0 EFAARN Cn1ncc2c1nc(C(C)(C)C)nc2NCCCc1csc(N)n1 ZINC000072170427 216062628 /nfs/dbraw/zinc/06/26/28/216062628.db2.gz CCVAGMRWCYTTPZ-UHFFFAOYSA-N 0 0 345.476 2.744 50 0 EFAARN CCOC(=O)CCNC(=O)N1CCCC[C@@H]1c1cccc(OC)c1 ZINC000072172622 216063161 /nfs/dbraw/zinc/06/31/61/216063161.db2.gz YLRZFLZNWUTBRU-MRXNPFEDSA-N 0 0 334.416 2.885 50 0 EFAARN CCc1nccc(-c2nccn2[C@H](C(=O)OC)c2cccc(C)c2)n1 ZINC000072173672 216063649 /nfs/dbraw/zinc/06/36/49/216063649.db2.gz TURVIVOCVLSXFF-KRWDZBQOSA-N 0 0 336.395 2.973 50 0 EFAARN Brc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 ZINC000072233780 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O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)NC1(c2ccccc2)CCC1 ZINC000072270733 216093039 /nfs/dbraw/zinc/09/30/39/216093039.db2.gz WMIHIYWDVWFZQF-MRXNPFEDSA-N 0 0 338.455 2.785 50 0 EFAARN O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270658 216093663 /nfs/dbraw/zinc/09/36/63/216093663.db2.gz VOFQENQIRRLVSD-KSSFIOAISA-N 0 0 342.418 2.748 50 0 EFAARN O=C(OC[C@H]1[C@@H](O)CCCN1C(=O)c1ccccc1)c1ccccc1 ZINC000000401599 209570376 /nfs/dbraw/zinc/57/03/76/209570376.db2.gz FFJXGKSTRCOJDS-ROUUACIJSA-N 0 0 339.391 2.509 50 0 EFAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1F ZINC000000389235 209566359 /nfs/dbraw/zinc/56/63/59/209566359.db2.gz NDZIUJNCNOXEHE-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN O=C(/C=C/c1ccco1)Oc1ccc(C(=S)N2CCOCC2)cc1 ZINC000000329495 209538897 /nfs/dbraw/zinc/53/88/97/209538897.db2.gz ZQRLRGJJVAIZDT-BQYQJAHWSA-N 0 0 343.404 2.906 50 0 EFAARN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000000314143 209531483 /nfs/dbraw/zinc/53/14/83/209531483.db2.gz 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CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)n2ncnc2N1 ZINC000000065463 209397027 /nfs/dbraw/zinc/39/70/27/209397027.db2.gz AONDHMJSSLCEDV-INIZCTEOSA-N 0 0 332.367 2.601 50 0 EFAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)n2ncnc2N1 ZINC000000065556 209397084 /nfs/dbraw/zinc/39/70/84/209397084.db2.gz AVRDGKRCCWVAOL-KRWDZBQOSA-N 0 0 347.378 2.911 50 0 EFAARN Nc1ccccc1C(=O)N1NC(C(F)(F)F)=C[C@]1(O)c1ccccc1 ZINC000000062656 209395932 /nfs/dbraw/zinc/39/59/32/209395932.db2.gz FTPSWGUFUQFHDQ-INIZCTEOSA-N 0 0 349.312 2.878 50 0 EFAARN O=C([C@@H](O)c1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000072424653 216214881 /nfs/dbraw/zinc/21/48/81/216214881.db2.gz HPCGZLKPHQFQGC-SFHVURJKSA-N 0 0 329.371 2.929 50 0 EFAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)NC[C@H]3CCCO3)nn21 ZINC000000061375 209394324 /nfs/dbraw/zinc/39/43/24/209394324.db2.gz QLYVSNSNGOCHQF-OAHLLOKOSA-N 0 0 336.395 2.614 50 0 EFAARN O=C(NCc1ccco1)c1ccc(I)cc1 ZINC000000054848 209392872 /nfs/dbraw/zinc/39/28/72/209392872.db2.gz ADFIGDSLXXFDCK-UHFFFAOYSA-N 0 0 327.121 2.814 50 0 EFAARN CC1=NN(C(=O)c2ccc(N)cc2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000000052559 209392380 /nfs/dbraw/zinc/39/23/80/209392380.db2.gz HFZMVGBQSRASGN-QGZVFWFLSA-N 0 0 329.787 2.989 50 0 EFAARN CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N ZINC000000054293 209391855 /nfs/dbraw/zinc/39/18/55/209391855.db2.gz MYARUKRSKKDEHE-UHFFFAOYSA-N 0 0 331.706 2.799 50 0 EFAARN C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)O1 ZINC000000053697 209391862 /nfs/dbraw/zinc/39/18/62/209391862.db2.gz TWRYOUCDCAUXJF-KPZWWZAWSA-N 0 0 327.336 2.907 50 0 EFAARN CC(=O)C1(c2ccccc2)CCN(C(=O)CCCn2cccn2)CC1 ZINC000072425753 216215966 /nfs/dbraw/zinc/21/59/66/216215966.db2.gz ZFSJCROJCJVJIM-UHFFFAOYSA-N 0 0 339.439 2.813 50 0 EFAARN CCc1c(C)sc(NC(=O)c2ccc(OC)c(OC)c2)c1C(N)=O ZINC000000043182 209387022 /nfs/dbraw/zinc/38/70/22/209387022.db2.gz HBNJJGXPHMEBOW-UHFFFAOYSA-N 0 0 348.424 2.987 50 0 biogenic,in-vitro EFAARN COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000000044329 209386688 /nfs/dbraw/zinc/38/66/88/209386688.db2.gz DGAIDWIVSHXKMV-GFCCVEGCSA-N 0 0 328.343 2.826 50 0 EFAARN O=C([O-])[C@@H](c1cccc(OCC(F)(F)F)c1)[NH+]1CCSCC1 ZINC000095388390 304097458 /nfs/dbraw/zinc/09/74/58/304097458.db2.gz OMPMNXGRCFYJKY-GFCCVEGCSA-N 0 0 335.347 2.802 50 0 EFAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1 ZINC000000044545 209386561 /nfs/dbraw/zinc/38/65/61/209386561.db2.gz KBMIULNCJABBLB-INIZCTEOSA-N 0 0 332.400 2.912 50 0 EFAARN COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000000044441 209386575 /nfs/dbraw/zinc/38/65/75/209386575.db2.gz PUIAZCRMTXMTFO-UHFFFAOYSA-N 0 0 329.352 2.656 50 0 EFAARN Cc1cc2nc(C)cc(N3CCN(Cc4ccc(C)cc4)C(=O)C3)n2n1 ZINC000072425840 216216592 /nfs/dbraw/zinc/21/65/92/216216592.db2.gz YRYZNQVOMXKSPC-UHFFFAOYSA-N 0 0 349.438 2.503 50 0 EFAARN COc1ccccc1N1CCN(C(=O)CSCC2CC2)[C@@H](C)C1 ZINC000072428319 216219313 /nfs/dbraw/zinc/21/93/13/216219313.db2.gz PQHXIFKMYVOJBV-AWEZNQCLSA-N 0 0 334.485 2.876 50 0 EFAARN CCN1C[C@]2(CCCN(C(=O)c3ccc(C)cc3O)C2)CCC1=O ZINC000072428768 216220781 /nfs/dbraw/zinc/22/07/81/216220781.db2.gz LDZJKDHCNITKED-IBGZPJMESA-N 0 0 330.428 2.565 50 0 EFAARN CCc1cc(N2CCN(Cc3ccccc3F)CC2)n2nccc2n1 ZINC000072428855 216220975 /nfs/dbraw/zinc/22/09/75/216220975.db2.gz HLMYNIKRIWJUPZ-UHFFFAOYSA-N 0 0 339.418 2.753 50 0 EFAARN Cc1c[nH]c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000072432653 216227476 /nfs/dbraw/zinc/22/74/76/216227476.db2.gz OPSLBHXMVNKMCH-UHFFFAOYSA-N 0 0 326.425 2.895 50 0 EFAARN Cc1ncsc1CCN(C)C(=O)Cn1c(C)nc2ccccc21 ZINC000072433761 216228356 /nfs/dbraw/zinc/22/83/56/216228356.db2.gz VFJLRXSBRKAVQH-UHFFFAOYSA-N 0 0 328.441 2.811 50 0 EFAARN Cc1cc2n(n1)CCCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C2 ZINC000072434429 216229603 /nfs/dbraw/zinc/22/96/03/216229603.db2.gz GKJTYMVMEJAKFH-UHFFFAOYSA-N 0 0 341.455 2.941 50 0 EFAARN Cc1nn2c(nc(C)cc2N2CCN(C3CCCCC3)C(=O)C2)c1C ZINC000072430763 216224311 /nfs/dbraw/zinc/22/43/11/216224311.db2.gz MCYPHUJANFFAKG-UHFFFAOYSA-N 0 0 341.459 2.636 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327.881 2.657 50 0 EFAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1c[nH]nc1-c1ccccc1 ZINC000077504972 216922329 /nfs/dbraw/zinc/92/23/29/216922329.db2.gz NGCNBXLVQMIQMJ-INIZCTEOSA-N 0 0 340.427 2.550 50 0 EFAARN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000257346268 244582574 /nfs/dbraw/zinc/58/25/74/244582574.db2.gz WZLPMEFLVNRRPZ-KSKPGIFSSA-N 0 0 346.467 2.809 50 0 EFAARN COc1ccc(-c2coc3cc(OC(=O)[C@H](C)N)ccc3c2=O)cc1 ZINC000019791594 212068311 /nfs/dbraw/zinc/06/83/11/212068311.db2.gz KBAIVDMJISYYJU-NSHDSACASA-N 0 0 339.347 2.721 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C)CC2)cc1 ZINC000019787566 212066936 /nfs/dbraw/zinc/06/69/36/212066936.db2.gz QMORCMISSMKSCG-UHFFFAOYSA-N 0 0 344.480 2.810 50 0 EFAARN COc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1OC ZINC000019789444 212067028 /nfs/dbraw/zinc/06/70/28/212067028.db2.gz MZIALNXCXISMGP-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 EFAARN Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000019790214 212066834 /nfs/dbraw/zinc/06/68/34/212066834.db2.gz CWIWEKQCIDOHSB-UHFFFAOYSA-N 0 0 342.414 2.857 50 0 EFAARN COc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1OC ZINC000019789285 212066694 /nfs/dbraw/zinc/06/66/94/212066694.db2.gz LQJJUXXQTJGLEL-UHFFFAOYSA-N 0 0 346.452 2.723 50 0 EFAARN CN1C(N)=NC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000019770323 212063574 /nfs/dbraw/zinc/06/35/74/212063574.db2.gz URYWYTOKCYEAPM-WQLSENKSSA-N 0 0 346.184 2.837 50 0 EFAARN Cn1ccnc1CN1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000019771193 212062876 /nfs/dbraw/zinc/06/28/76/212062876.db2.gz UUWKMXYFRHENBJ-OAHLLOKOSA-N 0 0 328.464 2.581 50 0 EFAARN CCCc1cc(CNC(=O)c2ccc(N[C@H]3CCSC3)nc2)on1 ZINC000019741686 212060032 /nfs/dbraw/zinc/06/00/32/212060032.db2.gz BXUHIOKQORVREZ-AWEZNQCLSA-N 0 0 346.456 2.870 50 0 EFAARN Cc1ccccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000019683120 212055762 /nfs/dbraw/zinc/05/57/62/212055762.db2.gz YNNCVSUWCSEFAM-UHFFFAOYSA-N 0 0 340.423 2.845 50 0 EFAARN c1cncc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000019636923 212053284 /nfs/dbraw/zinc/05/32/84/212053284.db2.gz GHROGEWXLCJBFZ-UHFFFAOYSA-N 0 0 334.379 2.759 50 0 EFAARN CCc1cc(-c2cccc(-c3ccn(CCO)n3)c2)nc(N(C)C)n1 ZINC000019607653 212051687 /nfs/dbraw/zinc/05/16/87/212051687.db2.gz PYTUTNKYYIAIBW-UHFFFAOYSA-N 0 0 337.427 2.628 50 0 EFAARN COc1ccc(C[C@@H]2CN(Cc3ccc4nonc4c3)CCO2)cc1 ZINC000019607691 212051816 /nfs/dbraw/zinc/05/18/16/212051816.db2.gz XSDWIZYHWYDCNV-QGZVFWFLSA-N 0 0 339.395 2.675 50 0 EFAARN COc1cccc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)c1 ZINC000019565308 212044509 /nfs/dbraw/zinc/04/45/09/212044509.db2.gz VHWQIVLYLXQEGB-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 biogenic EFAARN COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC000019552381 212040889 /nfs/dbraw/zinc/04/08/89/212040889.db2.gz VGRRWOBQJBOGGO-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 biogenic EFAARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000019551571 212040448 /nfs/dbraw/zinc/04/04/48/212040448.db2.gz SSJSFVKROCZYHL-UHFFFAOYSA-N 0 0 340.423 2.662 50 0 EFAARN CCN(C(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2)c1ccccc1 ZINC000000459975 284203501 /nfs/dbraw/zinc/20/35/01/284203501.db2.gz DTYANKZKMZCOQN-KXBFYZLASA-N 0 0 331.412 2.930 50 0 biogenic EFAARN CCN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000019527782 212038218 /nfs/dbraw/zinc/03/82/18/212038218.db2.gz NZCSIMKWDDDKEA-NSHDSACASA-N 0 0 331.243 2.925 50 0 EFAARN C[C@@H]1CCc2c(sc3ncnc(NCCCN4CCOCC4)c23)C1 ZINC000019497217 212032117 /nfs/dbraw/zinc/03/21/17/212032117.db2.gz OPDMANVPJNKDLW-CYBMUJFWSA-N 0 0 346.500 2.950 50 0 EFAARN O=C(c1cnccn1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000019344817 212020008 /nfs/dbraw/zinc/02/00/08/212020008.db2.gz ANPDOGZDIZDVPN-NSHDSACASA-N 0 0 341.396 2.608 50 0 EFAARN O=C([O-])[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000252587060 304160143 /nfs/dbraw/zinc/16/01/43/304160143.db2.gz VJTZVYYNOKAGNU-NYUBLWNDSA-N 0 0 348.402 2.797 50 0 EFAARN CC(C)(C)C(=O)N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl ZINC000019315781 212015749 /nfs/dbraw/zinc/01/57/49/212015749.db2.gz NXYYQONZMYUYCX-RKDXNWHRSA-N 0 0 331.671 2.614 50 0 EFAARN CCCCC12CN3CC(C)(CN(C1)C3c1ccc(O)c(OC)c1)C2=O ZINC000019320107 212015170 /nfs/dbraw/zinc/01/51/70/212015170.db2.gz YJMKURDDKONLDF-UHFFFAOYSA-N 0 0 344.455 2.796 50 0 biogenic EFAARN CCc1ccc(-n2ccc(=O)c(-c3nc(-c4ccncc4)no3)n2)cc1 ZINC000049006370 213976432 /nfs/dbraw/zinc/97/64/32/213976432.db2.gz KCJYPBIFGFCIAF-UHFFFAOYSA-N 0 0 345.362 2.907 50 0 EFAARN O=C(NCCc1ccsc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000049343519 214001596 /nfs/dbraw/zinc/00/15/96/214001596.db2.gz BRTJBUIFKADKDE-ZDUSSCGKSA-N 0 0 332.400 2.599 50 0 EFAARN O=C(c1ccno1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049362950 214002396 /nfs/dbraw/zinc/00/23/96/214002396.db2.gz CKHVLVUYVGZGLO-UHFFFAOYSA-N 0 0 330.369 2.806 50 0 EFAARN COc1ccc(NC(=O)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000049543501 214015966 /nfs/dbraw/zinc/01/59/66/214015966.db2.gz DMHRCENOGWVXPG-UHFFFAOYSA-N 0 0 349.390 2.700 50 0 biogenic EFAARN Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)NC1CC1 ZINC000049550742 214018518 /nfs/dbraw/zinc/01/85/18/214018518.db2.gz BQEOEBPPQPEZDO-UHFFFAOYSA-N 0 0 332.787 2.510 50 0 EFAARN Cc1nnc(NC(=O)c2cc(F)ccc2NC(=O)N2CCCC2)s1 ZINC000049551493 214018838 /nfs/dbraw/zinc/01/88/38/214018838.db2.gz WAKRSXGBVKVIRS-UHFFFAOYSA-N 0 0 349.391 2.866 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)cc1 ZINC000050051614 214042283 /nfs/dbraw/zinc/04/22/83/214042283.db2.gz DLIBDBREYFSNRR-UHFFFAOYSA-N 0 0 344.346 2.544 50 0 EFAARN COc1ccc(CC(=O)Nc2ccccc2N2CCOC2=O)cc1 ZINC000019228534 212007725 /nfs/dbraw/zinc/00/77/25/212007725.db2.gz CAQVDJIQSIBCOK-UHFFFAOYSA-N 0 0 326.352 2.833 50 0 EFAARN O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1cccs1 ZINC000019316223 212015794 /nfs/dbraw/zinc/01/57/94/212015794.db2.gz LUEPPXUOEIRTKP-JTQLQIEISA-N 0 0 343.663 2.506 50 0 EFAARN COc1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)ccc1O ZINC000018177859 211986296 /nfs/dbraw/zinc/98/62/96/211986296.db2.gz KMDMVAOTISXADM-UKTHLTGXSA-N 0 0 326.377 2.663 50 0 EFAARN O=C(Cn1cnc2c(sc3cccc(F)c32)c1=O)NC1CCCC1 ZINC000017149804 211957089 /nfs/dbraw/zinc/95/70/89/211957089.db2.gz GGOOLIUVGRJKPW-UHFFFAOYSA-N 0 0 345.399 2.809 50 0 EFAARN CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000016577752 211914858 /nfs/dbraw/zinc/91/48/58/211914858.db2.gz QGTICSZJLIEWKV-UHFFFAOYSA-N 0 0 344.436 2.675 50 0 EFAARN O=C(NC1=C[C@@H]2N=C(c3ccncc3)O[C@@H]2C=C1)c1cccc(F)c1 ZINC000016399112 211901205 /nfs/dbraw/zinc/90/12/05/211901205.db2.gz ZUMWYNMCDPQBDV-DLBZAZTESA-N 0 0 335.338 2.618 50 0 EFAARN COc1cc(NC(=O)c2ccccc2Cl)ccc1-n1cnnn1 ZINC000079479000 217230629 /nfs/dbraw/zinc/23/06/29/217230629.db2.gz XORYBGXNRBTULU-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](C(C)C)SCC(=O)N2 ZINC000079481288 217231342 /nfs/dbraw/zinc/23/13/42/217231342.db2.gz JTXIYUXGBXDAOL-CQSZACIVSA-N 0 0 343.416 2.650 50 0 EFAARN O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc(C(F)(F)F)nc1 ZINC000079483709 217231404 /nfs/dbraw/zinc/23/14/04/217231404.db2.gz FWNAYKCOAQJNGZ-GFCCVEGCSA-N 0 0 335.285 2.914 50 0 EFAARN COC(=O)CC1CCN(C(=O)Cn2ccc3cc(C)ccc32)CC1 ZINC000079484066 217231809 /nfs/dbraw/zinc/23/18/09/217231809.db2.gz YZJZMSRWJBNEIX-UHFFFAOYSA-N 0 0 328.412 2.751 50 0 EFAARN Cc1nc2ccccc2c(=O)n1CCNC(=O)c1cccc2[nH]ccc21 ZINC000079495566 217234024 /nfs/dbraw/zinc/23/40/24/217234024.db2.gz HLDDENZXRKVTSH-UHFFFAOYSA-N 0 0 346.390 2.616 50 0 EFAARN Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000079492316 217234159 /nfs/dbraw/zinc/23/41/59/217234159.db2.gz SJJSLGMCLWKQNX-OAHLLOKOSA-N 0 0 342.447 2.726 50 0 EFAARN Cc1noc(C)c1CCC(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000079501355 217235594 /nfs/dbraw/zinc/23/55/94/217235594.db2.gz DVQQMCJFYIMWIO-UHFFFAOYSA-N 0 0 343.362 2.711 50 0 EFAARN O=C(c1ccccc1OC(F)F)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000111064671 220095639 /nfs/dbraw/zinc/09/56/39/220095639.db2.gz SDOSFYUBSZHWJZ-GFCCVEGCSA-N 0 0 338.354 2.515 50 0 EFAARN Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1 ZINC000015591419 211832617 /nfs/dbraw/zinc/83/26/17/211832617.db2.gz HHIDHGOMXUGKLC-UHFFFAOYSA-N 0 0 332.425 2.611 50 0 EFAARN O=C(NCCN1CCOCC1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344982 217298916 /nfs/dbraw/zinc/29/89/16/217298916.db2.gz HTRAKACYRBBFDW-LSDHHAIUSA-N 0 0 343.254 2.545 50 0 EFAARN CN(C)c1nc2nonc2nc1N[C@H](c1ccco1)c1ccccc1 ZINC000015078637 211799792 /nfs/dbraw/zinc/79/97/92/211799792.db2.gz CEOMOBSASDXVDF-ZDUSSCGKSA-N 0 0 336.355 2.873 50 0 EFAARN Cc1ccoc1C(=O)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000015078575 211799598 /nfs/dbraw/zinc/79/95/98/211799598.db2.gz NDRQKSWZMHOVHF-IBGZPJMESA-N 0 0 330.428 2.843 50 0 EFAARN CC[C@@H](COC)NC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000015071581 211797652 /nfs/dbraw/zinc/79/76/52/211797652.db2.gz BXYNKRBAGDTYJG-AWEZNQCLSA-N 0 0 346.383 2.611 50 0 EFAARN O=C(C1=CCCCC1)N1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000015001651 211784894 /nfs/dbraw/zinc/78/48/94/211784894.db2.gz CIMUDEIMOKHCII-UHFFFAOYSA-N 0 0 330.403 2.887 50 0 EFAARN CCCCNC(=O)c1sc2ncnc(NCCCOC)c2c1C ZINC000014952255 211776656 /nfs/dbraw/zinc/77/66/56/211776656.db2.gz VTETUVHAOMZFAP-UHFFFAOYSA-N 0 0 336.461 2.978 50 0 EFAARN Cc1c(NC(=O)N2CCCC[C@@H]2CO)cccc1C(=O)N1CCCC1 ZINC000095526645 291570044 /nfs/dbraw/zinc/57/00/44/291570044.db2.gz XIUBMDGMCMWCNU-OAHLLOKOSA-N 0 0 345.443 2.610 50 0 EFAARN Cc1ncsc1CCC(=O)N1CC(OCc2ccccc2F)C1 ZINC000082087851 217461285 /nfs/dbraw/zinc/46/12/85/217461285.db2.gz IHEQYAJCFPQWRO-UHFFFAOYSA-N 0 0 334.416 2.951 50 0 EFAARN CN1CSC[C@H]1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000082087487 217461902 /nfs/dbraw/zinc/46/19/02/217461902.db2.gz DSWPWWGVWDAPLK-HNNXBMFYSA-N 0 0 340.876 2.715 50 0 EFAARN CN(C)C(=O)N1CCCC[C@H](NC(=O)CCCc2cccs2)C1 ZINC000082096203 217463255 /nfs/dbraw/zinc/46/32/55/217463255.db2.gz UWILXINJQNQYJM-AWEZNQCLSA-N 0 0 337.489 2.723 50 0 EFAARN O=C(c1ccn(C(F)F)n1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000082114554 217469621 /nfs/dbraw/zinc/46/96/21/217469621.db2.gz ODXKSXGWJCWVMT-INIZCTEOSA-N 0 0 349.381 2.734 50 0 EFAARN CC(=O)N[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1c1ccc(C)cc1 ZINC000082121773 217471324 /nfs/dbraw/zinc/47/13/24/217471324.db2.gz XDIPTTQRJYYQHF-RBUKOAKNSA-N 0 0 343.471 2.941 50 0 EFAARN CNc1ncc(CN(C)C(=O)c2csc(-c3cccs3)n2)cn1 ZINC000082121963 217472297 /nfs/dbraw/zinc/47/22/97/217472297.db2.gz ICKXBMDRMGETPX-UHFFFAOYSA-N 0 0 345.453 2.976 50 0 EFAARN COc1ccc(-c2nc(-c3ccc(C)nn3)no2)c(OC)c1OC ZINC000082147807 217478679 /nfs/dbraw/zinc/47/86/79/217478679.db2.gz XCBWSXBPRGPTTG-UHFFFAOYSA-N 0 0 328.328 2.528 50 0 EFAARN Cc1cc(C(=O)N[C@H](C)c2nnc(N)s2)c2cccc(C)c2n1 ZINC000082161858 217481503 /nfs/dbraw/zinc/48/15/03/217481503.db2.gz YGAHWKKZJZTCMC-SNVBAGLBSA-N 0 0 327.413 2.776 50 0 EFAARN COc1ccccc1CCC(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000082125985 217473569 /nfs/dbraw/zinc/47/35/69/217473569.db2.gz CHUPXRTYUVRGPL-MRXNPFEDSA-N 0 0 327.428 2.768 50 0 EFAARN COc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000082134250 217475173 /nfs/dbraw/zinc/47/51/73/217475173.db2.gz WXAWJZKSXSLVGS-UHFFFAOYSA-N 0 0 334.803 2.900 50 0 EFAARN CCCc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)n(C)n1 ZINC000082138603 217476224 /nfs/dbraw/zinc/47/62/24/217476224.db2.gz KUKNZZKMBHMRBV-INIZCTEOSA-N 0 0 329.448 2.654 50 0 EFAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2OC)N1 ZINC000035183146 284452491 /nfs/dbraw/zinc/45/24/91/284452491.db2.gz HEJJVRDMWRVRCQ-SJLPKXTDSA-N 0 0 336.391 2.953 50 0 biogenic,in-vitro EFAARN Cc1ccc(-c2cc(=O)n(CC(=O)NCCc3ccccc3)cn2)cc1 ZINC000013806875 211642741 /nfs/dbraw/zinc/64/27/41/211642741.db2.gz XJLSVRQGSPUACK-UHFFFAOYSA-N 0 0 347.418 2.578 50 0 EFAARN CC[C@@H](C(=O)NC[C@@]1(O)CCOc2ccccc21)c1ccccc1 ZINC000085470309 217671013 /nfs/dbraw/zinc/67/10/13/217671013.db2.gz XZUQCSHMEVINKC-UZLBHIALSA-N 0 0 325.408 2.967 50 0 EFAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)C1 ZINC000013745587 211630065 /nfs/dbraw/zinc/63/00/65/211630065.db2.gz MNRKUXLKWOHMEK-CYBMUJFWSA-N 0 0 336.457 2.846 50 0 EFAARN Cc1nc(C(C)(C)C)cc(=O)n1CC(=O)NCc1ccccc1Cl ZINC000085474019 217673719 /nfs/dbraw/zinc/67/37/19/217673719.db2.gz IDXXXEOGNXGPEH-UHFFFAOYSA-N 0 0 347.846 2.819 50 0 EFAARN CCOc1ccccc1C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2 ZINC000085560810 217677151 /nfs/dbraw/zinc/67/71/51/217677151.db2.gz BNQHMMUKJHXMNM-HNNXBMFYSA-N 0 0 343.379 2.668 50 0 EFAARN O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc(F)cc1F ZINC000085560733 217677567 /nfs/dbraw/zinc/67/75/67/217677567.db2.gz VQNBCEOQGJHPLF-CQSZACIVSA-N 0 0 335.306 2.547 50 0 EFAARN COc1ccc(CC(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1 ZINC000013715286 211618967 /nfs/dbraw/zinc/61/89/67/211618967.db2.gz IOBFBZUPRGVPKA-UHFFFAOYSA-N 0 0 326.396 2.507 50 0 EFAARN CC[C@H](C(=O)N1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711132 211617967 /nfs/dbraw/zinc/61/79/67/211617967.db2.gz FBYZDYODCFGJOD-MRXNPFEDSA-N 0 0 338.473 2.634 50 0 EFAARN Fc1cccc(NC(=S)N2CCCN(c3ncccn3)CC2)c1 ZINC000013685855 211610581 /nfs/dbraw/zinc/61/05/81/211610581.db2.gz UHUFQAAMNBTOCK-UHFFFAOYSA-N 0 0 331.420 2.525 50 0 EFAARN CCOC(=O)CSc1ccc(NC(=O)c2ccc(C)cc2)nn1 ZINC000013701616 211615246 /nfs/dbraw/zinc/61/52/46/211615246.db2.gz SKQCCKUMTVJJDJ-UHFFFAOYSA-N 0 0 331.397 2.693 50 0 EFAARN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013674676 211605077 /nfs/dbraw/zinc/60/50/77/211605077.db2.gz YXXYRTKASOLKRX-AWEZNQCLSA-N 0 0 335.425 2.749 50 0 EFAARN c1ccc(CN2Cn3c4ccccc4nc3N(C[C@H]3CCCO3)C2)nc1 ZINC000013633946 211595835 /nfs/dbraw/zinc/59/58/35/211595835.db2.gz GKBQRPGECNLBFL-QGZVFWFLSA-N 0 0 349.438 2.848 50 0 EFAARN CCN(Cc1ccc(C)o1)C(=O)NCc1cn2nc(C)sc2n1 ZINC000426380650 247273109 /nfs/dbraw/zinc/27/31/09/247273109.db2.gz PJMPZVFSDSPXMT-UHFFFAOYSA-N 0 0 333.417 2.732 50 0 EFAARN CNC(=O)C1(NC(=O)NCCc2ccc(Cl)cc2)CCCCC1 ZINC000426395893 247273619 /nfs/dbraw/zinc/27/36/19/247273619.db2.gz BVAUVFNLUDLTOX-UHFFFAOYSA-N 0 0 337.851 2.631 50 0 EFAARN OCCn1ccc([C@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)n1 ZINC000426399330 247275077 /nfs/dbraw/zinc/27/50/77/247275077.db2.gz BVUAOXAXGUJJFG-LBPRGKRZSA-N 0 0 340.349 2.673 50 0 EFAARN 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O=C(CCN1CCCC1=O)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000012057182 211284432 /nfs/dbraw/zinc/28/44/32/211284432.db2.gz YWSORCYMJRFIQL-SFHVURJKSA-N 0 0 328.456 2.870 50 0 EFAARN CN(C[C@H]1CCCCO1)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 ZINC000012055691 211284340 /nfs/dbraw/zinc/28/43/40/211284340.db2.gz WUAFFGMCGMNGFR-IAGOWNOFSA-N 0 0 334.391 2.541 50 0 EFAARN O=C(CCc1ccccc1)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000012051733 211283194 /nfs/dbraw/zinc/28/31/94/211283194.db2.gz XTSFVSFXRDJQQF-LJQANCHMSA-N 0 0 337.419 2.658 50 0 EFAARN CCC(=O)N1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091255323 217987654 /nfs/dbraw/zinc/98/76/54/217987654.db2.gz NNOYGKGBFUZYFU-UHFFFAOYSA-N 0 0 336.382 2.716 50 0 EFAARN COc1cccc(CC2=NO[C@@H](C(=O)NCc3cccc(F)c3)C2)c1 ZINC000012042061 211282905 /nfs/dbraw/zinc/28/29/05/211282905.db2.gz YUADUPCVGWLZDG-GOSISDBHSA-N 0 0 342.370 2.838 50 0 EFAARN COCCCNc1nc2nonc2nc1N[C@@H]1CCc2ccccc21 ZINC000012028791 211282107 /nfs/dbraw/zinc/28/21/07/211282107.db2.gz AWPPJXQEZBFTDX-CYBMUJFWSA-N 0 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/nfs/dbraw/zinc/27/64/56/211276456.db2.gz LJMPSSSROHYACP-SFHVURJKSA-N 0 0 335.363 2.832 50 0 EFAARN COCCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 ZINC000011968749 211275880 /nfs/dbraw/zinc/27/58/80/211275880.db2.gz NTJFNQWOLASDFF-OAHLLOKOSA-N 0 0 326.396 2.513 50 0 EFAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000091417015 218002906 /nfs/dbraw/zinc/00/29/06/218002906.db2.gz IRNDIFJIPPWMIE-UHFFFAOYSA-N 0 0 333.395 2.876 50 0 EFAARN C[C@@H](C(=O)NCc1cccnc1Oc1ccccc1)N1CCCC1=O ZINC000011937480 211272944 /nfs/dbraw/zinc/27/29/44/211272944.db2.gz VIPGWKPARCBHQL-AWEZNQCLSA-N 0 0 339.395 2.501 50 0 EFAARN C[C@H](Cc1ccsc1)NC(=O)c1cnc(-c2ccccn2)nc1O ZINC000091425306 218004113 /nfs/dbraw/zinc/00/41/13/218004113.db2.gz UTPGHMAJZMXQDO-LLVKDONJSA-N 0 0 340.408 2.667 50 0 EFAARN CN(C[C@H]1CCCCO1)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000011935549 211271732 /nfs/dbraw/zinc/27/17/32/211271732.db2.gz FRAFWPIZVPOISW-MRXNPFEDSA-N 0 0 329.400 2.630 50 0 EFAARN COc1ccccc1-n1cc(C(=O)N(C)[C@H](C)c2ccncn2)cn1 ZINC000091441620 218006318 /nfs/dbraw/zinc/00/63/18/218006318.db2.gz UINKSUFTMUQWCJ-CYBMUJFWSA-N 0 0 337.383 2.504 50 0 EFAARN Cc1cccc([C@@H](C(=O)N2CCC(c3nccn3C)CC2)N(C)C)c1 ZINC000091444839 218007293 /nfs/dbraw/zinc/00/72/93/218007293.db2.gz ZDUVRUCGGOBGDO-SFHVURJKSA-N 0 0 340.471 2.737 50 0 EFAARN COc1ccc(-c2cc(C(=O)NCC[C@H]3CCCOC3)[nH]n2)cc1 ZINC000091444549 218007562 /nfs/dbraw/zinc/00/75/62/218007562.db2.gz XGNRZMCTDGBZOJ-CYBMUJFWSA-N 0 0 329.400 2.632 50 0 EFAARN O=C(NCCc1cccnc1)c1coc(COc2cccc(F)c2)n1 ZINC000011933916 211270032 /nfs/dbraw/zinc/27/00/32/211270032.db2.gz LAWUCAIOTQZOAK-UHFFFAOYSA-N 0 0 341.342 2.760 50 0 EFAARN COCCn1ccnc1[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000091462176 218009512 /nfs/dbraw/zinc/00/95/12/218009512.db2.gz SDUJTSUQBIKOFK-GFCCVEGCSA-N 0 0 333.354 2.578 50 0 EFAARN CCN1CC2(CCN(C(=O)N(C)C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091460550 218009647 /nfs/dbraw/zinc/00/96/47/218009647.db2.gz 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/nfs/dbraw/zinc/01/20/09/218012009.db2.gz ORAQVGPKTHAPKH-INIZCTEOSA-N 0 0 340.423 2.780 50 0 EFAARN O=C(C1CC1)N1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091476480 218012513 /nfs/dbraw/zinc/01/25/13/218012513.db2.gz BUBBZKCFACFACC-UHFFFAOYSA-N 0 0 348.393 2.716 50 0 EFAARN CC(C)OC(=O)c1cccc(Nc2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC000011903474 211265205 /nfs/dbraw/zinc/26/52/05/211265205.db2.gz HQTVOLFRAOUXOB-UHFFFAOYSA-N 0 0 327.384 2.958 50 0 EFAARN O=C(CCn1cncn1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000011879691 211265313 /nfs/dbraw/zinc/26/53/13/211265313.db2.gz XHCWPNBVBBZNFR-OAHLLOKOSA-N 0 0 348.397 2.818 50 0 EFAARN CCCCn1ccnc1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC000091492909 218013296 /nfs/dbraw/zinc/01/32/96/218013296.db2.gz MRUOLJWWSFWONV-QGZVFWFLSA-N 0 0 348.491 2.550 50 0 EFAARN NC(=O)C1(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000091487017 218013395 /nfs/dbraw/zinc/01/33/95/218013395.db2.gz MVYZTWFEIJOJFF-UHFFFAOYSA-N 0 0 348.446 2.861 50 0 EFAARN COc1ccc2c(C)c(C(=O)N3CCC4(COC(=O)O4)CC3)oc2c1 ZINC000091624892 218033068 /nfs/dbraw/zinc/03/30/68/218033068.db2.gz AIIZGVDNGCBSMB-UHFFFAOYSA-N 0 0 345.351 2.891 50 0 EFAARN CC(C)C1=NO[C@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)C1 ZINC000011820365 211251724 /nfs/dbraw/zinc/25/17/24/211251724.db2.gz YKSGPDJQFBLYCA-KRWDZBQOSA-N 0 0 338.411 2.762 50 0 EFAARN CCOc1ncccc1C(=O)N1CCC[C@@H](c2nccn2CC)C1 ZINC000091624556 218033423 /nfs/dbraw/zinc/03/34/23/218033423.db2.gz DYHKJPOSDJPRAT-CQSZACIVSA-N 0 0 328.416 2.717 50 0 EFAARN CCCCc1nc(CN2CCC(n3nccc3NC(C)=O)CC2)c[nH]1 ZINC000011818979 211251319 /nfs/dbraw/zinc/25/13/19/211251319.db2.gz ZYFKZFGQEMATEQ-UHFFFAOYSA-N 0 0 344.463 2.744 50 0 EFAARN CCOC(=O)CNC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000011816915 211250826 /nfs/dbraw/zinc/25/08/26/211250826.db2.gz CHHCPOJNCBXIBA-KRWDZBQOSA-N 0 0 347.459 2.959 50 0 EFAARN O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000011816706 211250846 /nfs/dbraw/zinc/25/08/46/211250846.db2.gz 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O=c1ccc(C(F)(F)F)cn1Cc1ncnn1CCc1ccccc1 ZINC000096163196 218638976 /nfs/dbraw/zinc/63/89/76/218638976.db2.gz FOVGELGMVOWAGA-UHFFFAOYSA-N 0 0 348.328 2.750 50 0 EFAARN CC[C@@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1-c1nc[nH]c1C ZINC000096151672 218628506 /nfs/dbraw/zinc/62/85/06/218628506.db2.gz ZCMALUMUEFFYJL-OAHLLOKOSA-N 0 0 337.427 2.827 50 0 EFAARN CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1 ZINC000006744094 210698034 /nfs/dbraw/zinc/69/80/34/210698034.db2.gz JYRDHEKLUZQXDF-UHFFFAOYSA-N 0 0 338.473 2.775 50 0 EFAARN Cc1cccc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000006742535 210697205 /nfs/dbraw/zinc/69/72/05/210697205.db2.gz CLNHORHXSVPVJF-UHFFFAOYSA-N 0 0 338.407 2.649 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2C)c1 ZINC000006725976 210692438 /nfs/dbraw/zinc/69/24/38/210692438.db2.gz NQKPDJJOEMVIMW-UHFFFAOYSA-N 0 0 341.363 2.749 50 0 EFAARN Cc1nc2ccc(-n3nc(C(C)C)nc3Cn3nccn3)cc2s1 ZINC000096161582 218637578 /nfs/dbraw/zinc/63/75/78/218637578.db2.gz IXEPGBNZNRMMON-UHFFFAOYSA-N 0 0 339.428 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/nfs/dbraw/zinc/57/14/67/210571467.db2.gz SPPUFRIFROIQIT-UHFFFAOYSA-N 0 0 331.343 2.867 50 0 EFAARN O=C1CC[C@@H](CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)N1 ZINC000091486488 296324366 /nfs/dbraw/zinc/32/43/66/296324366.db2.gz MQVCMEOXXGLZSG-IBGZPJMESA-N 0 0 348.446 2.874 50 0 EFAARN O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc(Br)c1 ZINC000152641179 223994427 /nfs/dbraw/zinc/99/44/27/223994427.db2.gz GEKASAABHYAGOP-AWEZNQCLSA-N 0 0 346.228 2.853 50 0 EFAARN O=C1CN(C2CCCCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3CN12 ZINC000016041371 296333436 /nfs/dbraw/zinc/33/34/36/296333436.db2.gz BKVNXLBMAGVVNG-GOSISDBHSA-N 0 0 337.423 2.596 50 0 EFAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@@H]1Cc2ccccc2CO1 ZINC000104300260 284982761 /nfs/dbraw/zinc/98/27/61/284982761.db2.gz AWCKGOAGXDNJHN-ARFHVFGLSA-N 0 0 331.799 2.646 50 0 EFAARN COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(F)c(F)c1F)CC2 ZINC000267502686 291812300 /nfs/dbraw/zinc/81/23/00/291812300.db2.gz ZQQKWPNLPSNRBT-SNVBAGLBSA-N 0 0 327.302 2.519 50 0 EFAARN O=C1C[C@@H](c2ccc(-n3cncn3)cc2)c2c(n[nH]c2-c2ccco2)N1 ZINC000065405824 296344486 /nfs/dbraw/zinc/34/44/86/296344486.db2.gz LFHMFJLDHQTLTB-ZDUSSCGKSA-N 0 0 346.350 2.725 50 0 EFAARN O=C1c2ccc(Br)cc2[C@@H]2NC(=O)c3ccccc3N12 ZINC000252494457 285015301 /nfs/dbraw/zinc/01/53/01/285015301.db2.gz NWHVHZFCEUVEMP-CYBMUJFWSA-N 0 0 329.153 2.852 50 0 EFAARN O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(=O)n3ccccc3nc2O1 ZINC000096232012 296346650 /nfs/dbraw/zinc/34/66/50/296346650.db2.gz KFIQLGVWOXKCBS-CQSZACIVSA-N 0 0 346.342 2.563 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 ZINC000005658017 210510406 /nfs/dbraw/zinc/51/04/06/210510406.db2.gz KRDVCNODLNAOCV-UHFFFAOYSA-N 0 0 347.392 2.649 50 0 EFAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)n1nnc2ccccc2c1=O ZINC000005322133 210439147 /nfs/dbraw/zinc/43/91/47/210439147.db2.gz GDUCGULDYPDTTM-JTQLQIEISA-N 0 0 328.759 2.645 50 0 EFAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005314718 210438218 /nfs/dbraw/zinc/43/82/18/210438218.db2.gz AVQXZWWEYJDHGZ-UHFFFAOYSA-N 0 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258093389 /nfs/dbraw/zinc/09/33/89/258093389.db2.gz UOVBKDLBQRXPIV-UHFFFAOYSA-N 0 0 329.400 2.545 50 0 EFAARN C=Cc1cccc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 ZINC000299786580 258093430 /nfs/dbraw/zinc/09/34/30/258093430.db2.gz VRIICRJGEOJBDB-UHFFFAOYSA-N 0 0 346.438 2.944 50 0 EFAARN CC(C)c1nnc([C@@H](C)NC(=O)CCc2cn3ccccc3n2)o1 ZINC000299787046 258093440 /nfs/dbraw/zinc/09/34/40/258093440.db2.gz SSOPXGJTCPVBJP-GFCCVEGCSA-N 0 0 327.388 2.651 50 0 EFAARN O=C(Cc1cccnc1)NCC1(c2cccc(F)c2)CCOCC1 ZINC000299788120 258094304 /nfs/dbraw/zinc/09/43/04/258094304.db2.gz RROJVAIHRXDDJZ-UHFFFAOYSA-N 0 0 328.387 2.628 50 0 EFAARN Cc1ccnc(SCC(=O)NCc2ccc3c(c2)CCCO3)n1 ZINC000299788123 258094323 /nfs/dbraw/zinc/09/43/23/258094323.db2.gz RSKJDDWYDNRYHS-UHFFFAOYSA-N 0 0 329.425 2.519 50 0 EFAARN Cc1cccc(N2CCC(NC(=O)CCCn3cccn3)CC2)c1 ZINC000299788995 258094860 /nfs/dbraw/zinc/09/48/60/258094860.db2.gz XWIDYQPKAGVAKL-UHFFFAOYSA-N 0 0 326.444 2.757 50 0 EFAARN Cc1nnc(CNC(=O)Nc2cccc(NC(=O)CC(C)C)c2C)o1 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EFAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2)nc(N2CCCCC2)n1 ZINC000021360319 135723961 /nfs/dbraw/zinc/72/39/61/135723961.db2.gz HMOVQWHEWBVIDS-UHFFFAOYSA-N 0 0 344.390 2.932 50 0 EFAARN Cc1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)c(Cl)c1 ZINC000038784004 292035454 /nfs/dbraw/zinc/03/54/54/292035454.db2.gz RLLKODQMSGNLTG-UHFFFAOYSA-N 0 0 325.759 2.699 50 0 EFAARN Cc1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)nc(C)n1 ZINC000347666472 142254071 /nfs/dbraw/zinc/25/40/71/142254071.db2.gz OHEVTPTUKNKCQS-MRXNPFEDSA-N 0 0 327.384 2.904 50 0 EFAARN Cc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000012194385 292123800 /nfs/dbraw/zinc/12/38/00/292123800.db2.gz AHKHJAJYXQDHHR-QGZVFWFLSA-N 0 0 349.427 2.766 50 0 EFAARN CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000342116554 145064816 /nfs/dbraw/zinc/06/48/16/145064816.db2.gz WDFARJYEASUSCQ-LLVKDONJSA-N 0 0 337.851 2.992 50 0 EFAARN Cc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)cn1 ZINC000096179976 292153594 /nfs/dbraw/zinc/15/35/94/292153594.db2.gz 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/nfs/dbraw/zinc/22/45/11/286224511.db2.gz FUWBSXIFTOJMJQ-SFHVURJKSA-N 0 0 337.391 2.905 50 0 EFAARN COc1cc2nc(NC(=O)c3cc(C)n(C)n3)sc2cc1OC ZINC000009001875 286262810 /nfs/dbraw/zinc/26/28/10/286262810.db2.gz WXKCNEYLURCZOS-UHFFFAOYSA-N 0 0 332.385 2.608 50 0 EFAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(C)(=O)=O)CC2 ZINC000000106184 286260280 /nfs/dbraw/zinc/26/02/80/286260280.db2.gz KIDDSQJMLGYDIN-GOSISDBHSA-N 0 0 347.436 2.611 50 0 EFAARN Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccn1 ZINC000408447857 152192895 /nfs/dbraw/zinc/19/28/95/152192895.db2.gz JPYILMDYKPVNIH-UHFFFAOYSA-N 0 0 329.444 2.645 50 0 EFAARN Cc1ccc([C@H]2C(S(C)(=O)=O)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000019830664 292261913 /nfs/dbraw/zinc/26/19/13/292261913.db2.gz HZWWJFMIPTVGNF-HNNXBMFYSA-N 0 0 343.404 2.897 50 0 EFAARN COc1ccc([C@H]2SCC(=O)Nc3c2cnn3C)c(OC)c1OC ZINC000049547940 286380494 /nfs/dbraw/zinc/38/04/94/286380494.db2.gz BQGAZGKTTHREAJ-OAHLLOKOSA-N 0 0 349.412 2.870 50 0 EFAARN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](O)[C@H]2C)OCO4)c1O ZINC000005276280 286465287 /nfs/dbraw/zinc/46/52/87/286465287.db2.gz DYDGSGOMYSJIRS-ORCHDJNQSA-N 0 0 330.336 2.608 50 0 EFAARN COc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c1OC ZINC000000039180 286462725 /nfs/dbraw/zinc/46/27/25/286462725.db2.gz BTPFLWWRYZOWPQ-NSHDSACASA-N 0 0 327.336 2.907 50 0 EFAARN CCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2NC3=O)cc1 ZINC000001198688 286563138 /nfs/dbraw/zinc/56/31/38/286563138.db2.gz LQJSLCGBPXERQR-GOSISDBHSA-N 0 0 340.404 2.970 50 0 EFAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1OC ZINC000016577959 287015626 /nfs/dbraw/zinc/01/56/26/287015626.db2.gz DIJRSLIHPXPBGW-CYBMUJFWSA-N 0 0 327.446 2.965 50 0 EFAARN O=C(N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1cccnc1 ZINC000169755711 226561285 /nfs/dbraw/zinc/56/12/85/226561285.db2.gz KVSAABGRYWQVQB-ZDUSSCGKSA-N 0 0 339.424 2.542 50 0 EFAARN O=C1NC[C@@H](NCc2ccc(F)cc2)n2nc(-c3ccccc3)cc21 ZINC000169754466 226561672 /nfs/dbraw/zinc/56/16/72/226561672.db2.gz 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/nfs/dbraw/zinc/26/92/42/273269242.db2.gz IQZLSLOAXSPDLN-MRVPVSSYSA-N 0 0 340.177 2.912 50 0 EFAARN Cc1cc(F)cc2c(O)c(C(=O)N3CCC[C@](C)(O)CC3)cnc12 ZINC000280636860 273349331 /nfs/dbraw/zinc/34/93/31/273349331.db2.gz RNTXCDWPISXPFC-SFHVURJKSA-N 0 0 332.375 2.765 50 0 EFAARN COc1ccc2c(C)cc(N3CCC4(CNC(=O)C4)CC3)nc2c1 ZINC000065428002 274120952 /nfs/dbraw/zinc/12/09/52/274120952.db2.gz ZICGAQSPMPKLEE-UHFFFAOYSA-N 0 0 325.412 2.658 50 0 EFAARN O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000006224889 275028832 /nfs/dbraw/zinc/02/88/32/275028832.db2.gz USNDXTUOUFUALX-UKRRQHHQSA-N 0 0 344.729 2.772 50 0 EFAARN CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)c3ccccc31)C2 ZINC000067712976 275540605 /nfs/dbraw/zinc/54/06/05/275540605.db2.gz YEUNYGLIMFUZBO-HNNXBMFYSA-N 0 0 335.407 2.987 50 0 EFAARN CC(=O)N1CCC[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 ZINC000095361993 275764777 /nfs/dbraw/zinc/76/47/77/275764777.db2.gz AWBYQXGEEKTBHQ-SFHVURJKSA-N 0 0 340.467 2.752 50 0 EFAARN CC1(C)Cc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c32)CO1 ZINC000000346269 275871343 /nfs/dbraw/zinc/87/13/43/275871343.db2.gz BEMXHIDMDDPOIJ-UHFFFAOYSA-N 0 0 342.424 2.584 50 0 EFAARN CC(C)c1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1 ZINC000082086963 276073783 /nfs/dbraw/zinc/07/37/83/276073783.db2.gz PMZXGFRQLFCAKF-UHFFFAOYSA-N 0 0 341.415 2.592 50 0 EFAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NS(C)(=O)=O)C1 ZINC000091587516 276150397 /nfs/dbraw/zinc/15/03/97/276150397.db2.gz CSSWVQAFYJHSRZ-AWEZNQCLSA-N 0 0 337.420 2.574 50 0 EFAARN CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)c1ccccc1C2 ZINC000091302883 277181876 /nfs/dbraw/zinc/18/18/76/277181876.db2.gz RZEDOSUYWFGFTQ-UHFFFAOYSA-N 0 0 330.428 2.990 50 0 EFAARN CC(C)(C)OC(=O)N1Cc2nc(Br)sc2C(=O)C1 ZINC000261507927 277196753 /nfs/dbraw/zinc/19/67/53/277196753.db2.gz NXBCSBQYJDBTJT-UHFFFAOYSA-N 0 0 333.207 2.839 50 0 EFAARN CN1C[C@@]2(CCN(C(=O)C3c4ccccc4-c4ccccc43)C2)OC1=O ZINC000072174158 277201241 /nfs/dbraw/zinc/20/12/41/277201241.db2.gz HAMFAXZBAOATHC-OAQYLSRUSA-N 0 0 348.402 2.852 50 0 EFAARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc2cc(C)ccc2n1 ZINC000020607777 277310775 /nfs/dbraw/zinc/31/07/75/277310775.db2.gz VDSDONLPKIWRMX-MRXNPFEDSA-N 0 0 335.367 2.597 50 0 EFAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(OC)c2)N1 ZINC000034685244 277371444 /nfs/dbraw/zinc/37/14/44/277371444.db2.gz AFAUJFNORYVHAJ-ROUUACIJSA-N 0 0 336.391 2.953 50 0 biogenic EFAARN COc1cc(OC)c(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c(OC)c1 ZINC000097657111 277386220 /nfs/dbraw/zinc/38/62/20/277386220.db2.gz QFGCHMDZFDSEHF-CYBMUJFWSA-N 0 0 337.416 2.932 50 0 EFAARN COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 ZINC000022066528 277393202 /nfs/dbraw/zinc/39/32/02/277393202.db2.gz JKPISQIIWUONPB-HNNXBMFYSA-N 0 0 327.380 2.771 50 0 biogenic,in-vivo EFAARN COC(=O)c1ccc(Br)cc1I ZINC000069589408 277426489 /nfs/dbraw/zinc/42/64/89/277426489.db2.gz VAYKANWZAJRNOM-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN CC(C)COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 ZINC000072326196 277427410 /nfs/dbraw/zinc/42/74/10/277427410.db2.gz DSLXPDXSKCEMCV-CQSZACIVSA-N 0 0 329.396 2.914 50 0 biogenic EFAARN COC(=O)c1sc2ncnc(N3CCC4(CCCO4)CC3)c2c1C ZINC000071405668 277456969 /nfs/dbraw/zinc/45/69/69/277456969.db2.gz ODRFKVZYXVOUCX-UHFFFAOYSA-N 0 0 347.440 2.936 50 0 EFAARN COc1ccccc1[C@H]1CC(=O)Nc2nc(-c3ccccc3)[nH]c(=O)c21 ZINC000008767526 277472679 /nfs/dbraw/zinc/47/26/79/277472679.db2.gz BTZMATMJQIFGTI-CQSZACIVSA-N 0 0 347.374 2.920 50 0 EFAARN C1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 ZINC000000188423 277759266 /nfs/dbraw/zinc/75/92/66/277759266.db2.gz DBUDAKFVUSPQTP-UHFFFAOYSA-N 0 0 330.480 2.843 50 0 EFAARN COc1cccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)c1 ZINC000016730875 278007129 /nfs/dbraw/zinc/00/71/29/278007129.db2.gz YCWGPUNEIPMKKC-LFIBNONCSA-N 0 0 349.415 2.683 50 0 EFAARN COc1cccc2c1ccn2CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000096125623 278042192 /nfs/dbraw/zinc/04/21/92/278042192.db2.gz NXVOIJNFTWYQDK-FOIQADDNSA-N 0 0 342.439 2.804 50 0 biogenic EFAARN COc1cccc2cc(C(=O)Nc3cc(-n4cccn4)ncn3)oc21 ZINC000096119964 278043160 /nfs/dbraw/zinc/04/31/60/278043160.db2.gz RNXVYWZYESSECE-UHFFFAOYSA-N 0 0 335.323 2.669 50 0 EFAARN COc1ccccc1NC(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000023119877 278058194 /nfs/dbraw/zinc/05/81/94/278058194.db2.gz CHWKTHMAAGJULP-UHFFFAOYSA-N 0 0 329.381 2.634 50 0 EFAARN COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc21 ZINC000018121832 278086345 /nfs/dbraw/zinc/08/63/45/278086345.db2.gz NSNRYVXTZZFJLV-UHFFFAOYSA-N 0 0 333.351 2.927 50 0 EFAARN CS(=O)(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000003269016 278115183 /nfs/dbraw/zinc/11/51/83/278115183.db2.gz MIMUBIXTTCLGMI-UHFFFAOYSA-N 0 0 328.773 2.664 50 0 EFAARN CC(C)n1c(CN2CC[C@]3(CN(C)C(=O)O3)C2)nc2ccccc21 ZINC000072447076 278122414 /nfs/dbraw/zinc/12/24/14/278122414.db2.gz XERWUXJCMSWTTE-SFHVURJKSA-N 0 0 328.416 2.644 50 0 EFAARN CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@@H](C)CC3 ZINC000005500247 278181453 /nfs/dbraw/zinc/18/14/53/278181453.db2.gz KBMMYNFQWXKFEE-ZETCQYMHSA-N 0 0 330.442 2.737 50 0 EFAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCN(C)CC1 ZINC000004168972 278241541 /nfs/dbraw/zinc/24/15/41/278241541.db2.gz VJBRHMNEQPCPQU-UHFFFAOYSA-N 0 0 342.468 2.865 50 0 EFAARN CC(C)(C)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000005438757 278368985 /nfs/dbraw/zinc/36/89/85/278368985.db2.gz BHGPPHWZEDVVIZ-UHFFFAOYSA-N 0 0 344.864 2.798 50 0 EFAARN CC1(C)Cc2c(sc3ncn4nc(-c5cnccn5)nc4c23)CO1 ZINC000004785158 278394897 /nfs/dbraw/zinc/39/48/97/278394897.db2.gz KZDVMGGAELCKBD-UHFFFAOYSA-N 0 0 338.396 2.647 50 0 EFAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(Br)o2)N1 ZINC000000204456 278509738 /nfs/dbraw/zinc/50/97/38/278509738.db2.gz DMRZDBJWEKYMMF-VIFPVBQESA-N 0 0 341.083 2.515 50 0 EFAARN CC(C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)C(C)(C)C)O2)CC1 ZINC000011980764 278714376 /nfs/dbraw/zinc/71/43/76/278714376.db2.gz QKWSDFBAXDZDAD-HNNXBMFYSA-N 0 0 338.492 2.735 50 0 EFAARN Cc1ccc(N2C(=O)C[C@@]3(CON=C3c3ccc(F)cc3)C2=O)cc1 ZINC000000542364 278816686 /nfs/dbraw/zinc/81/66/86/278816686.db2.gz IOIPQCKRPOMHHR-IBGZPJMESA-N 0 0 338.338 2.818 50 0 EFAARN Cn1c2ccc(C(F)(F)F)cc2nc1-c1nc2c([nH]1)C(=O)NCCC2 ZINC000095379788 279317233 /nfs/dbraw/zinc/31/72/33/279317233.db2.gz FMOBNAHOWRBJCY-UHFFFAOYSA-N 0 0 349.316 2.658 50 0 EFAARN C[C@H]1Cc2cc(/C=c3/sc4nc5ccccc5n4c3=O)ccc2O1 ZINC000013238144 280021974 /nfs/dbraw/zinc/02/19/74/280021974.db2.gz ISAHQXPFLOCIQD-MUOOZZNISA-N 0 0 334.400 2.780 50 0 EFAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc3c(c2)OCO3)[NH2+]1 ZINC000000352587 280072346 /nfs/dbraw/zinc/07/23/46/280072346.db2.gz MDXJJOKTGDJRNN-PBHICJAKSA-N 0 0 336.347 2.585 50 0 biogenic EFAARN O=C(OCc1ccco1)/C(=C/c1ccco1)NC(=O)c1ccco1 ZINC000000521008 280073946 /nfs/dbraw/zinc/07/39/46/280073946.db2.gz MEUCMCLDCIONIK-UVTDQMKNSA-N 0 0 327.292 2.980 50 0 EFAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(OC)c(C)cc1OC ZINC000016577962 288199028 /nfs/dbraw/zinc/19/90/28/288199028.db2.gz DIJRSLIHPXPBGW-ZDUSSCGKSA-N 0 0 327.446 2.965 50 0 EFAARN O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCOCC1 ZINC000000911354 280171610 /nfs/dbraw/zinc/17/16/10/280171610.db2.gz IPPLASLAWGBNHF-UHFFFAOYSA-N 0 0 328.151 2.572 50 0 EFAARN Cc1[nH]c2c(cccc2C(=O)N2CCc3c(ncnc3N(C)C)C2)c1C ZINC000071730311 280183333 /nfs/dbraw/zinc/18/33/33/280183333.db2.gz RUTGXVLGIBOFRE-UHFFFAOYSA-N 0 0 349.438 2.839 50 0 EFAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCc2ccccc2C1 ZINC000000237675 280187212 /nfs/dbraw/zinc/18/72/12/280187212.db2.gz YHTGNUPWGQJXCD-UHFFFAOYSA-N 0 0 334.375 2.539 50 0 EFAARN O=C(c1ccc[nH]1)N1CCN(Cc2cncn2C2CCCCC2)CC1 ZINC000252482675 280205069 /nfs/dbraw/zinc/20/50/69/280205069.db2.gz DLWXZPKNDGXMHT-UHFFFAOYSA-N 0 0 341.459 2.674 50 0 EFAARN O=C(c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)N1CCCCC1 ZINC000013846696 280208822 /nfs/dbraw/zinc/20/88/22/280208822.db2.gz XNABDKYJQGFSNC-IAGOWNOFSA-N 0 0 340.423 2.992 50 0 EFAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC000091304359 280266368 /nfs/dbraw/zinc/26/63/68/280266368.db2.gz QMWUWUNCICSVMF-UHFFFAOYSA-N 0 0 328.368 2.764 50 0 EFAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCCO3 ZINC000001069939 280273798 /nfs/dbraw/zinc/27/37/98/280273798.db2.gz VPHOHMODWQQWHS-LLVKDONJSA-N 0 0 325.320 2.661 50 0 EFAARN Cc1cc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)nn1C ZINC000012443024 280288610 /nfs/dbraw/zinc/28/86/10/280288610.db2.gz IGVCNFWDQMKYBQ-UHFFFAOYSA-N 0 0 340.368 2.641 50 0 EFAARN O=C1NC[C@H](c2ccc(Cl)cc2)Cc2nc(-c3ccncn3)[nH]c21 ZINC000095368642 280294672 /nfs/dbraw/zinc/29/46/72/280294672.db2.gz ALKJLMQRDIGCGZ-LLVKDONJSA-N 0 0 339.786 2.590 50 0 EFAARN O=C1Nc2ccc(Br)cc2C(c2ccccc2)=N[C@H]1O ZINC000000550217 280303132 /nfs/dbraw/zinc/30/31/32/280303132.db2.gz POAUVEHBXZCMCD-HNNXBMFYSA-N 0 0 331.169 2.557 50 0 EFAARN O=c1/c(=C/c2ccccc2F)sc2nc(-c3ccc(F)cc3)nn12 ZINC000000533430 280384783 /nfs/dbraw/zinc/38/47/83/280384783.db2.gz RHKTVWLTZKSJKF-ZROIWOOFSA-N 0 0 341.342 2.644 50 0 EFAARN Cc1cc(C)n(-c2ncnc3c2cnn3-c2ccc(F)c(F)c2)n1 ZINC000009184275 280441269 /nfs/dbraw/zinc/44/12/69/280441269.db2.gz MCHOHTWHFHKRPS-UHFFFAOYSA-N 0 0 326.310 2.896 50 0 EFAARN Cc1cc(C)n2nc(-c3nn4c(nnc4C(F)(F)F)s3)cc2n1 ZINC000078547534 280450409 /nfs/dbraw/zinc/45/04/09/280450409.db2.gz QDVSSYINWOPHHU-UHFFFAOYSA-N 0 0 339.306 2.531 50 0 EFAARN C[C@@H]1CN([C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)C[C@@H](C)O1 ZINC000019805912 288247275 /nfs/dbraw/zinc/24/72/75/288247275.db2.gz OBNRQIQGIHDAKK-OPRDCNLKSA-N 0 0 345.698 2.954 50 0 EFAARN Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)o3)C[C@H]2C)o1 ZINC000000375624 280773320 /nfs/dbraw/zinc/77/33/20/280773320.db2.gz GCHJCBFZMRSZMV-VXGBXAGGSA-N 0 0 330.384 2.865 50 0 EFAARN CC(C)n1ncc2c1NC(=O)C[C@]21c2cc(F)ccc2N(C)C1=O ZINC000072405845 280793293 /nfs/dbraw/zinc/79/32/93/280793293.db2.gz QDLSZCYSSGZYOW-KRWDZBQOSA-N 0 0 328.347 2.857 50 0 EFAARN Cc1ccc(N2C(=O)[C@@H](C)[C@H]3c4ccccc4OC(=O)[C@@H]3C2=O)cc1 ZINC000004607158 280860627 /nfs/dbraw/zinc/86/06/27/280860627.db2.gz PCYCSVVOWKARFX-ZLIFDBKOSA-N 0 0 335.359 2.823 50 0 EFAARN CC[C@H]1C[C@]2(C)NC(=O)c3c4c(sc3N2C1=O)COC(C)(C)C4 ZINC000000553972 281239196 /nfs/dbraw/zinc/23/91/96/281239196.db2.gz MCUUPBUDSNANFJ-HUTHGQBESA-N 0 0 334.441 2.822 50 0 EFAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@@H](O)CS3 ZINC000000187267 281340298 /nfs/dbraw/zinc/34/02/98/281340298.db2.gz CYBSYWIYKWPANZ-KZULUSFZSA-N 0 0 328.437 2.601 50 0 EFAARN CC12CN(C(=O)c3ccco3)CC(C)(CN(C(=O)c3ccco3)C1)C2 ZINC000016448397 281612094 /nfs/dbraw/zinc/61/20/94/281612094.db2.gz UULYIYCULOHYEB-UHFFFAOYSA-N 0 0 342.395 2.887 50 0 EFAARN Cc1cnccc1-c1nc2c([nH]1)C(=O)NC[C@H](c1ccc(F)cc1)C2 ZINC000065406267 281661411 /nfs/dbraw/zinc/66/14/11/281661411.db2.gz WHYVYVNVGSFKIC-CYBMUJFWSA-N 0 0 336.370 2.989 50 0 EFAARN CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)N1Cc1ccccc1 ZINC000057478250 281669645 /nfs/dbraw/zinc/66/96/45/281669645.db2.gz DCARUDKGSMTMLI-UHFFFAOYSA-N 0 0 339.420 2.978 50 0 EFAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)Cc1ccc2c(c1)OCO2 ZINC000219925069 282025605 /nfs/dbraw/zinc/02/56/05/282025605.db2.gz JHQCQDYYKDTZNV-LBPRGKRZSA-N 0 0 330.409 2.917 50 0 EFAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N12 ZINC000000490455 289066553 /nfs/dbraw/zinc/06/65/53/289066553.db2.gz TWIAYLVYIVFTGO-PXAZEXFGSA-N 0 0 349.390 2.618 50 0 biogenic EFAARN Cc1cn2cc(C(=O)N3CCCC[C@@H]3c3nc(C)no3)ccc2n1 ZINC000223699075 292858693 /nfs/dbraw/zinc/85/86/93/292858693.db2.gz GNWHQMXPTZEBNX-CQSZACIVSA-N 0 0 325.372 2.702 50 0 EFAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H](c1ccc(F)cc1)N(C)C ZINC000095379476 293098109 /nfs/dbraw/zinc/09/81/09/293098109.db2.gz WWQXDWZFBUKYGA-GOSISDBHSA-N 0 0 346.450 2.860 50 0 EFAARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Nc1ccccc1C(C)C)C2 ZINC000072139155 293399757 /nfs/dbraw/zinc/39/97/57/293399757.db2.gz ZBMASCGUPSNWKT-UHFFFAOYSA-N 0 0 326.400 2.792 50 0 EFAARN Cc1sc2ccc3ccsc3c2[n+]1CCCS(=O)(=O)[O-] ZINC000001922735 294079485 /nfs/dbraw/zinc/07/94/85/294079485.db2.gz NMNSYBPESKYEMC-UHFFFAOYSA-O 0 0 328.460 2.990 50 0 EFAARN Cc1sc2nc(-c3nc4c([nH]3)CC(C)(C)CNC4=O)cn2c1C ZINC000095371929 294079631 /nfs/dbraw/zinc/07/96/31/294079631.db2.gz LFUWSNNXZAKPTM-UHFFFAOYSA-N 0 0 329.429 2.715 50 0 EFAARN Cn1c(=O)c2sc3c(c2n(Cc2ccc(F)cc2)c1=O)CCCC3 ZINC000006760502 294138538 /nfs/dbraw/zinc/13/85/38/294138538.db2.gz WUQSNIQBWNGTCP-UHFFFAOYSA-N 0 0 344.411 2.828 50 0 EFAARN Cn1c(C(=O)N2CC[C@@]3(C2)CCCNC3=O)cc2cccc(Cl)c21 ZINC000092028549 294149922 /nfs/dbraw/zinc/14/99/22/294149922.db2.gz JXIMACLMRZAACL-GOSISDBHSA-N 0 0 345.830 2.574 50 0 EFAARN COc1ccc(-c2cc[nH]c3nn(-c4nc(C)cc(C)n4)c(=O)c2-3)cc1 ZINC000101173475 295047231 /nfs/dbraw/zinc/04/72/31/295047231.db2.gz WBFJDBSXWZIELV-UHFFFAOYSA-N 0 0 347.378 2.796 50 0 EFAARN COc1ccc(Cl)cc1[C@@H](C(=O)[O-])[N@H+](C)CC1CCOCC1 ZINC000095353125 295146835 /nfs/dbraw/zinc/14/68/35/295146835.db2.gz HRQLXZRPRSGWCH-HNNXBMFYSA-N 0 0 327.808 2.833 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3ccccc3S2(=O)=O)cc1OC ZINC000004142980 295218330 /nfs/dbraw/zinc/21/83/30/295218330.db2.gz WALAWYGJYJBBGB-INIZCTEOSA-N 0 0 347.392 2.561 50 0 EFAARN COc1ccc2[nH]c3c(c2c1)CCN[C@]31c2ccccc2N(C)C1=O ZINC000020064229 295255677 /nfs/dbraw/zinc/25/56/77/295255677.db2.gz FOTLXRGULOUVND-HXUWFJFHSA-N 0 0 333.391 2.542 50 0 biogenic EFAARN Nc1nc(Br)c(Br)cc1Br ZINC000039933110 295366714 /nfs/dbraw/zinc/36/67/14/295366714.db2.gz QXPFSKGRHXJUEZ-UHFFFAOYSA-N 0 0 330.805 2.951 50 0 EFAARN COc1ccccc1[C@H](C)N(C)C(=O)CCn1c(C)cccc1=O ZINC000097425010 295397884 /nfs/dbraw/zinc/39/78/84/295397884.db2.gz QEFIQZOZLQPXQU-HNNXBMFYSA-N 0 0 328.412 2.775 50 0 EFAARN COc1cnc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)nc1 ZINC000077536840 295431894 /nfs/dbraw/zinc/43/18/94/295431894.db2.gz IRPRZQAFCPBVDX-LJQANCHMSA-N 0 0 344.459 2.637 50 0 EFAARN C[C@]1(C(=O)N2CCCCC2)CC1(Br)Br ZINC000002772296 300747360 /nfs/dbraw/zinc/74/73/60/300747360.db2.gz VIHWJLYYPCWNGJ-SECBINFHSA-N 0 0 325.044 2.895 50 0 EFAARN Cc1cc(C)n(C(=O)CCCN(C)S(=O)(=O)c2ccc(C)cc2)n1 ZINC000002845663 301236071 /nfs/dbraw/zinc/23/60/71/301236071.db2.gz OBJZSFYGUXDMGP-UHFFFAOYSA-N 0 0 349.456 2.549 50 0 EFAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCCC4)c(=O)n23)cc1 ZINC000016647605 301467901 /nfs/dbraw/zinc/46/79/01/301467901.db2.gz ZWPXIUZTIROSRY-UHFFFAOYSA-N 0 0 339.420 2.967 50 0 EFAARN Cc1ccc(C2(C(=O)N3CCC[C@@]4(CN(C)C(=O)O4)CC3)CC2)cc1 ZINC000072157872 301568303 /nfs/dbraw/zinc/56/83/03/301568303.db2.gz HVCUMLFVSDDJPT-IBGZPJMESA-N 0 0 342.439 2.860 50 0 EFAARN Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2C ZINC000004193341 301913273 /nfs/dbraw/zinc/91/32/73/301913273.db2.gz SCRLIEYGKWGNLC-UHFFFAOYSA-N 0 0 331.368 2.819 50 0 EFAARN O=C(C1CCC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCCC1 ZINC000100619319 303552401 /nfs/dbraw/zinc/55/24/01/303552401.db2.gz KFXPJPSLWPMFSD-GQGLESIBSA-N 0 0 344.455 2.509 50 0 EFAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1CN1CCOCC1 ZINC000055183338 303570698 /nfs/dbraw/zinc/57/06/98/303570698.db2.gz MKINZIJVTZNKHY-VJJCQHNBSA-N 0 0 346.515 2.916 50 0 EFAARN O=C(CN1CC2(CCCC2)CC1=O)N1CCCC[C@@H]1c1nccs1 ZINC000095498378 303603126 /nfs/dbraw/zinc/60/31/26/303603126.db2.gz HNXJSORXDCJANM-CQSZACIVSA-N 0 0 347.484 2.989 50 0 EFAARN COc1cc([C@H](C)NC(=O)Cc2ccncc2)cc(OC)c1OC ZINC000299241151 311064750 /nfs/dbraw/zinc/06/47/50/311064750.db2.gz OWQQNZDTUUFSIW-LBPRGKRZSA-N 0 0 330.384 2.527 50 0 EFAARN Cc1cc(CC(=O)N2CCC3(CC2)OCCc2ccsc23)on1 ZINC000575064416 319921557 /nfs/dbraw/zinc/92/15/57/319921557.db2.gz BVJWPSHELUKEPN-UHFFFAOYSA-N 0 0 332.425 2.678 50 0 EFAARN Cc1cc(CNC(=O)c2ccc(-c3ccc(NC4CC4)nn3)cc2)no1 ZINC000534648593 468269971 /nfs/dbraw/zinc/26/99/71/468269971.db2.gz BSFGCFIHFSRBDC-UHFFFAOYSA-N 0 0 349.394 2.944 50 0 EFAARN COc1cc(OC)nc(NCCc2csc(-c3ccncc3)n2)n1 ZINC000534658926 468270880 /nfs/dbraw/zinc/27/08/80/468270880.db2.gz BZMSZEPZVZZQCS-UHFFFAOYSA-N 0 0 343.412 2.667 50 0 EFAARN CCOc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1 ZINC000001237429 462577898 /nfs/dbraw/zinc/57/78/98/462577898.db2.gz ZJNSDNXMXNLDSH-UHFFFAOYSA-N 0 0 342.447 2.972 50 0 EFAARN Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1 ZINC000001261989 462578698 /nfs/dbraw/zinc/57/86/98/462578698.db2.gz ZCLHPPBTVIEWFP-UHFFFAOYSA-N 0 0 333.754 2.701 50 0 EFAARN CCOC(=O)c1sc(NC(=O)Cc2sc(C)nc2C)nc1C ZINC000040267459 463454351 /nfs/dbraw/zinc/45/43/51/463454351.db2.gz ZWTMUCHFXZXORN-UHFFFAOYSA-N 0 0 339.442 2.883 50 0 EFAARN CCCOc1ccc2cc(S(=O)(=O)N[C@H](CC)CO)ccc2c1 ZINC000041096355 472043974 /nfs/dbraw/zinc/04/39/74/472043974.db2.gz COWOPZTUPOWOGJ-OAHLLOKOSA-N 0 0 337.441 2.678 50 0 EFAARN Cc1ccsc1[C@H](O)CNS(=O)(=O)Cc1ccccc1Cl ZINC000070635743 472500405 /nfs/dbraw/zinc/50/04/05/472500405.db2.gz WGYZSFUPQOQVPA-CYBMUJFWSA-N 0 0 345.873 2.863 50 0 EFAARN O=C(NCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000070636592 472500438 /nfs/dbraw/zinc/50/04/38/472500438.db2.gz OIDSKKHNEPWSCK-INIZCTEOSA-N 0 0 338.329 2.936 50 0 EFAARN O=C(Nc1ccccc1Cl)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000070641397 472500454 /nfs/dbraw/zinc/50/04/54/472500454.db2.gz YXISGNZBRRJDQU-INIZCTEOSA-N 0 0 344.798 2.706 50 0 EFAARN CC(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)c1 ZINC000071384791 472548837 /nfs/dbraw/zinc/54/88/37/472548837.db2.gz 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/nfs/dbraw/zinc/49/99/85/472499985.db2.gz BWTYWTSYAFETCO-INIZCTEOSA-N 0 0 339.313 2.875 50 0 EFAARN Cn1ccc2ccc(NC(=O)Cn3cnc4sccc4c3=O)cc21 ZINC000095476233 473211263 /nfs/dbraw/zinc/21/12/63/473211263.db2.gz YHWQQJBSGQXFRQ-UHFFFAOYSA-N 0 0 338.392 2.588 50 0 EFAARN Cn1ccc2cc(C(=O)NCCCc3nnc4ccccn43)ccc21 ZINC000095472941 473210671 /nfs/dbraw/zinc/21/06/71/473210671.db2.gz OOLYCQBSVPUSSW-UHFFFAOYSA-N 0 0 333.395 2.584 50 0 EFAARN COc1ccc2c(ccn2CCC(=O)NCc2c(C)nn(C)c2C)c1 ZINC000095474667 473211373 /nfs/dbraw/zinc/21/13/73/473211373.db2.gz RUXWGEPSZRFTOJ-UHFFFAOYSA-N 0 0 340.427 2.707 50 0 EFAARN COCCn1ccc2ccc(C(=O)NCC(=O)c3ccccc3)cc21 ZINC000095477162 473211851 /nfs/dbraw/zinc/21/18/51/473211851.db2.gz MWNXWCVSZIMUKJ-UHFFFAOYSA-N 0 0 336.391 2.900 50 0 EFAARN Cc1nnnn1-c1ccc(C(=O)Nc2cccc3c2ccn3C)cc1 ZINC000095475339 473211982 /nfs/dbraw/zinc/21/19/82/473211982.db2.gz ICAGBYRRQQQMJL-UHFFFAOYSA-N 0 0 332.367 2.715 50 0 EFAARN O=C([C@@H]1CCCO1)N1CCC(c2nccn2Cc2ccccc2)CC1 ZINC000095505788 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COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@]2(C)CCCO2)C3)c1 ZINC000096149739 473315184 /nfs/dbraw/zinc/31/51/84/473315184.db2.gz JTNSQCXANPAFOA-IBGZPJMESA-N 0 0 341.411 2.539 50 0 EFAARN CC(C)Nc1cc(N(C)Cc2cc(-c3cccnc3)no2)nc(N)n1 ZINC000096148197 473315231 /nfs/dbraw/zinc/31/52/31/473315231.db2.gz RVVQBDMOLKSJJV-UHFFFAOYSA-N 0 0 339.403 2.566 50 0 EFAARN COc1ccc(-c2ccc(SCC(N)=O)cc2)c(OC)c1OC ZINC000096152507 473316469 /nfs/dbraw/zinc/31/64/69/473316469.db2.gz FWVXODGCGFOWCS-UHFFFAOYSA-N 0 0 333.409 2.957 50 0 EFAARN Cc1nccn1CCN(C)c1ncnc2c1Cc1ccccc1OC2 ZINC000096152130 473316767 /nfs/dbraw/zinc/31/67/67/473316767.db2.gz REIBIJRKMXXYRP-UHFFFAOYSA-N 0 0 335.411 2.601 50 0 EFAARN Nc1nc(CCC(=O)NCCCn2ccc3ccccc32)cs1 ZINC000096160454 473320267 /nfs/dbraw/zinc/32/02/67/473320267.db2.gz BCMRGZFXYBWGCI-UHFFFAOYSA-N 0 0 328.441 2.819 50 0 EFAARN O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-c2cn[nH]c2)c1 ZINC000096166556 473321612 /nfs/dbraw/zinc/32/16/12/473321612.db2.gz POOMVHLNVAVFJC-CQSZACIVSA-N 0 0 341.436 2.719 50 0 EFAARN CC(C)(C)N1C[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CC1=O ZINC000096166405 473321848 /nfs/dbraw/zinc/32/18/48/473321848.db2.gz ONMATXWLTURHQB-NSHDSACASA-N 0 0 325.372 2.727 50 0 EFAARN CC(=O)N[C@H]1CCN(C(=O)Nc2ccc(OCc3ccco3)cc2)C1 ZINC000096166298 473322156 /nfs/dbraw/zinc/32/21/56/473322156.db2.gz MAFXFODZSFLDSC-HNNXBMFYSA-N 0 0 343.383 2.601 50 0 EFAARN COC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 ZINC000096511589 473456718 /nfs/dbraw/zinc/45/67/18/473456718.db2.gz RAHVZIHLNNRQJE-UHFFFAOYSA-N 0 0 339.438 2.977 50 0 EFAARN O=C(NCCCc1nc2ccccc2[nH]1)c1n[nH]c2c1CCCCC2 ZINC000096231844 473361138 /nfs/dbraw/zinc/36/11/38/473361138.db2.gz LBAMRVVVZKHWBR-UHFFFAOYSA-N 0 0 337.427 2.918 50 0 EFAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344846 473375129 /nfs/dbraw/zinc/37/51/29/473375129.db2.gz IBFHMXVLILLDGM-NSHDSACASA-N 0 0 338.342 2.694 50 0 EFAARN CO[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1cccc(F)c1 ZINC000096388689 473377567 /nfs/dbraw/zinc/37/75/67/473377567.db2.gz 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/nfs/dbraw/zinc/34/28/85/471342885.db2.gz UUFUZPJGYWTQBH-UHFFFAOYSA-N 0 0 325.364 2.884 50 0 EFAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000000304859 471344447 /nfs/dbraw/zinc/34/44/47/471344447.db2.gz GQJYJGFFMBWCPB-UHFFFAOYSA-N 0 0 335.381 2.673 50 0 EFAARN Cc1cccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)c1 ZINC000000302720 471345131 /nfs/dbraw/zinc/34/51/31/471345131.db2.gz JKBOMVAZNRGXGR-INIZCTEOSA-N 0 0 349.312 2.891 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000000309282 471345625 /nfs/dbraw/zinc/34/56/25/471345625.db2.gz KEBOSRQCQMXCGD-UHFFFAOYSA-N 0 0 336.457 2.990 50 0 EFAARN CCCC(=O)N1CC2(CC)CN(C(=O)CCC)CC(CC)(C1)C2=O ZINC000000310355 471345723 /nfs/dbraw/zinc/34/57/23/471345723.db2.gz VWAQGFRHGXDZCP-UHFFFAOYSA-N 0 0 336.476 2.633 50 0 biogenic EFAARN COc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000000310028 471345801 /nfs/dbraw/zinc/34/58/01/471345801.db2.gz JEWCPESWMYBNDU-UHFFFAOYSA-N 0 0 338.363 2.710 50 0 EFAARN Cc1cc(OCC(=O)NC[C@@H]2CCCO2)cc(C)c1Br ZINC000000311016 471345980 /nfs/dbraw/zinc/34/59/80/471345980.db2.gz KLKRVYWGKCEDSY-LBPRGKRZSA-N 0 0 342.233 2.740 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C ZINC000000309435 471346190 /nfs/dbraw/zinc/34/61/90/471346190.db2.gz LKEXOVTZWKDQIA-UHFFFAOYSA-N 0 0 328.393 2.908 50 0 EFAARN C[C@H](NC(=O)CSc1nnnn1-c1ccccc1)c1ccccc1 ZINC000000313680 471346866 /nfs/dbraw/zinc/34/68/66/471346866.db2.gz FMTKXHSPFCGXGY-ZDUSSCGKSA-N 0 0 339.424 2.632 50 0 EFAARN O=C(c1ccccc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F ZINC000000313524 471346939 /nfs/dbraw/zinc/34/69/39/471346939.db2.gz PQMXMNGTLLOEQV-HNNXBMFYSA-N 0 0 335.285 2.583 50 0 EFAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(O)cc2)cc1 ZINC000000321704 471348210 /nfs/dbraw/zinc/34/82/10/471348210.db2.gz OULIUUJTCBQSSB-QGZVFWFLSA-N 0 0 337.379 2.967 50 0 EFAARN COc1cccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000000328771 471348641 /nfs/dbraw/zinc/34/86/41/471348641.db2.gz QMGRRMCJUDBLRD-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN Cc1cc(C)nc(NC(=S)NC(=O)c2cc3ccccc3o2)n1 ZINC000000359640 471350270 /nfs/dbraw/zinc/35/02/70/471350270.db2.gz BTWZIYYVJHLINI-UHFFFAOYSA-N 0 0 326.381 2.966 50 0 EFAARN CCOC(=O)Cn1c2ccccc2nc(-c2ccccc2NC)c1=O ZINC000000352537 471350622 /nfs/dbraw/zinc/35/06/22/471350622.db2.gz MFQOMTYSVORGHL-UHFFFAOYSA-N 0 0 337.379 2.668 50 0 EFAARN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2cc(C)cc(C)c2)N1 ZINC000000356186 471351061 /nfs/dbraw/zinc/35/10/61/471351061.db2.gz OZWKHMJTBRWMAQ-HNNXBMFYSA-N 0 0 344.333 2.931 50 0 EFAARN COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1 ZINC000000372445 471351363 /nfs/dbraw/zinc/35/13/63/471351363.db2.gz NXZFDXOORDLROU-UHFFFAOYSA-N 0 0 338.820 2.517 50 0 EFAARN CC(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000000373723 471351450 /nfs/dbraw/zinc/35/14/50/471351450.db2.gz ZVURKTMBVVVWAU-UHFFFAOYSA-N 0 0 329.425 2.669 50 0 EFAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 ZINC000000381694 471352413 /nfs/dbraw/zinc/35/24/13/471352413.db2.gz SAEPBVCWTWBDDW-UHFFFAOYSA-N 0 0 330.409 2.569 50 0 EFAARN Cc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000000379193 471352437 /nfs/dbraw/zinc/35/24/37/471352437.db2.gz BGHUMXSJZMMECU-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN COCc1nnc(NC(=O)c2ccc(SC)cc2OC)s1 ZINC000000380318 471352489 /nfs/dbraw/zinc/35/24/89/471352489.db2.gz CAIPCMHXEUXUTA-UHFFFAOYSA-N 0 0 325.415 2.667 50 0 EFAARN COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1O ZINC000000382601 471352657 /nfs/dbraw/zinc/35/26/57/471352657.db2.gz XQPGIVSIZAIYEA-OQLLNIDSSA-N 0 0 338.363 2.802 50 0 EFAARN CCc1ccccc1NC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000000380069 471352709 /nfs/dbraw/zinc/35/27/09/471352709.db2.gz QXWPSIALTOJHLF-UHFFFAOYSA-N 0 0 332.425 2.654 50 0 EFAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000000381698 471352780 /nfs/dbraw/zinc/35/27/80/471352780.db2.gz DESYQRAMWPXVLF-UHFFFAOYSA-N 0 0 330.409 2.569 50 0 EFAARN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1 ZINC000000379535 471353002 /nfs/dbraw/zinc/35/30/02/471353002.db2.gz UHBXLSXAIUZYDB-UHFFFAOYSA-N 0 0 332.425 2.708 50 0 EFAARN COC(=O)c1cc(NC(=O)c2cccc(C)c2)cc(C(=O)OC)c1 ZINC000000383487 471354044 /nfs/dbraw/zinc/35/40/44/471354044.db2.gz LBXWUZUFHBAHMN-UHFFFAOYSA-N 0 0 327.336 2.821 50 0 EFAARN Cc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1C ZINC000000382717 471354104 /nfs/dbraw/zinc/35/41/04/471354104.db2.gz NJZHCVOIBVEBHL-UHFFFAOYSA-N 0 0 338.473 2.836 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000000411648 471354440 /nfs/dbraw/zinc/35/44/40/471354440.db2.gz JXLXEBCBRDYDDU-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN COc1ccc(OC(=O)Cn2c3ccccc3sc2=O)cc1OC ZINC000000405503 471354519 /nfs/dbraw/zinc/35/45/19/471354519.db2.gz GWCQRHLTXUXEPR-UHFFFAOYSA-N 0 0 345.376 2.686 50 0 EFAARN COC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 ZINC000000414028 471355486 /nfs/dbraw/zinc/35/54/86/471355486.db2.gz MGTKEKKXDNMFNY-UHFFFAOYSA-N 0 0 348.453 2.791 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 ZINC000000416261 471355806 /nfs/dbraw/zinc/35/58/06/471355806.db2.gz BYFPWXIRMQSSOJ-UHFFFAOYSA-N 0 0 332.360 2.945 50 0 EFAARN CC(C)OC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000000421120 471356810 /nfs/dbraw/zinc/35/68/10/471356810.db2.gz LWSHJISLKCFUMH-UHFFFAOYSA-N 0 0 328.397 2.859 50 0 EFAARN COC[C@H](C)NC(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000000423625 471357755 /nfs/dbraw/zinc/35/77/55/471357755.db2.gz WXRGWERPTDFCRY-VIFPVBQESA-N 0 0 339.189 2.869 50 0 EFAARN COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC ZINC000000423739 471357903 /nfs/dbraw/zinc/35/79/03/471357903.db2.gz UKVFKUBKSCLWGT-UHFFFAOYSA-N 0 0 339.351 2.684 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3F)ccc21 ZINC000000428676 471358589 /nfs/dbraw/zinc/35/85/89/471358589.db2.gz RFGWSNMPLQSCGZ-UHFFFAOYSA-N 0 0 334.372 2.536 50 0 EFAARN COc1ccc(-n2ncc3c2ncnc3NCc2ccccn2)cc1 ZINC000000426499 471358674 /nfs/dbraw/zinc/35/86/74/471358674.db2.gz XOMMIHLZMNIJFR-UHFFFAOYSA-N 0 0 332.367 2.831 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCCC3)ccc21 ZINC000000428658 471359181 /nfs/dbraw/zinc/35/91/81/471359181.db2.gz RJXSDBFTINKQMB-UHFFFAOYSA-N 0 0 336.457 2.597 50 0 EFAARN CCOc1ccc2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2c1 ZINC000000435669 471359778 /nfs/dbraw/zinc/35/97/78/471359778.db2.gz QPAMZAAMWKBODC-INIZCTEOSA-N 0 0 335.425 2.696 50 0 EFAARN CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2s1 ZINC000000446002 471361039 /nfs/dbraw/zinc/36/10/39/471361039.db2.gz KMOQFRYXVHHQBS-UHFFFAOYSA-N 0 0 335.410 2.782 50 0 EFAARN COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000444162 471361331 /nfs/dbraw/zinc/36/13/31/471361331.db2.gz BSMIEVNEDHWJQV-UHFFFAOYSA-N 0 0 333.409 2.672 50 0 EFAARN CC(=O)Oc1ccc2c(C)cc(=O)oc2c1I ZINC000000449420 471361449 /nfs/dbraw/zinc/36/14/49/471361449.db2.gz YFOCOVBSNQHYKD-UHFFFAOYSA-N 0 0 344.104 2.631 50 0 EFAARN CC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000000456107 471362065 /nfs/dbraw/zinc/36/20/65/471362065.db2.gz GQDUMIRAQHZBEV-CMDGGOBGSA-N 0 0 329.381 2.764 50 0 EFAARN COC(=O)c1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 ZINC000000453912 471362189 /nfs/dbraw/zinc/36/21/89/471362189.db2.gz CAQGQZLFXRBWAQ-UHFFFAOYSA-N 0 0 344.392 2.609 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(SC)cc2OC)C1 ZINC000000456959 471362391 /nfs/dbraw/zinc/36/23/91/471362391.db2.gz SRTQKLISBSBJNV-GFCCVEGCSA-N 0 0 337.441 2.832 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000000456492 471362587 /nfs/dbraw/zinc/36/25/87/471362587.db2.gz TVYJWGVDNJQAHQ-LLVKDONJSA-N 0 0 325.792 2.764 50 0 EFAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)[C@H](C)C2)c(F)c1 ZINC000000464343 471363247 /nfs/dbraw/zinc/36/32/47/471363247.db2.gz CDLKKVADCGAYSB-GFCCVEGCSA-N 0 0 330.359 2.972 50 0 EFAARN CC(C)N1c2ccccc2[C@](O)(CC(=O)c2ccccc2O)C1=O ZINC000000466645 471363408 /nfs/dbraw/zinc/36/34/08/471363408.db2.gz DWCFIXQUQARQPN-LJQANCHMSA-N 0 0 325.364 2.608 50 0 EFAARN Cc1c(Cl)cccc1NC(=O)CNS(=O)(=O)c1ccccc1 ZINC000000467345 471363616 /nfs/dbraw/zinc/36/36/16/471363616.db2.gz UJVGPLOHSUHBMM-UHFFFAOYSA-N 0 0 338.816 2.565 50 0 EFAARN C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000000469476 471364176 /nfs/dbraw/zinc/36/41/76/471364176.db2.gz DSBAMBATKXVGIU-ZDUSSCGKSA-N 0 0 332.425 2.573 50 0 EFAARN CCN1C(=O)/C(=C/c2cc(Br)ccc2O)N(C)C1=S ZINC000000473296 471364259 /nfs/dbraw/zinc/36/42/59/471364259.db2.gz YGZSYEFYCSGOIT-YFHOEESVSA-N 0 0 341.230 2.574 50 0 EFAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCC(C)CC1)CC3 ZINC000000487055 471365142 /nfs/dbraw/zinc/36/51/42/471365142.db2.gz JLZUWWIWOAZDKP-UHFFFAOYSA-N 0 0 341.455 2.793 50 0 biogenic EFAARN CCOC(=O)N1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000000479768 471365521 /nfs/dbraw/zinc/36/55/21/471365521.db2.gz FCAGVCRJXZSRPO-UHFFFAOYSA-N 0 0 333.413 2.519 50 0 EFAARN O=C(Cc1ccccc1)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000000482217 471365602 /nfs/dbraw/zinc/36/56/02/471365602.db2.gz TUEDHEIOEREPEA-SFHVURJKSA-N 0 0 338.407 2.777 50 0 EFAARN COC(=O)c1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000000490460 471366140 /nfs/dbraw/zinc/36/61/40/471366140.db2.gz KSUHDLSORFHOHX-LJQANCHMSA-N 0 0 339.347 2.584 50 0 biogenic EFAARN COc1ccc(C)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C ZINC000000507294 471366530 /nfs/dbraw/zinc/36/65/30/471366530.db2.gz VGDBZCJRYXOAEV-INIZCTEOSA-N 0 0 332.400 2.831 50 0 EFAARN CC(C)c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1 ZINC000000491602 471366585 /nfs/dbraw/zinc/36/65/85/471366585.db2.gz APNZJFFTTCPVQS-UHFFFAOYSA-N 0 0 338.363 2.516 50 0 EFAARN O=C(c1ccncc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F ZINC000000500966 471366591 /nfs/dbraw/zinc/36/65/91/471366591.db2.gz VZYZZSKFUMNZLJ-HNNXBMFYSA-N 0 0 335.285 2.583 50 0 EFAARN Cc1sc(NC(=S)NC(=O)c2ccccc2)c(C(N)=O)c1C ZINC000000491528 471366655 /nfs/dbraw/zinc/36/66/55/471366655.db2.gz PUXIPHLUCCBSSV-UHFFFAOYSA-N 0 0 333.438 2.591 50 0 EFAARN CC(=O)c1cccc(NC(=S)NC(=O)COc2ccccc2)c1 ZINC000000505846 471366704 /nfs/dbraw/zinc/36/67/04/471366704.db2.gz XJTYLBCHIHVPFV-UHFFFAOYSA-N 0 0 328.393 2.781 50 0 EFAARN COCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1 ZINC000000498588 471366811 /nfs/dbraw/zinc/36/68/11/471366811.db2.gz YFVSYSMVVCKJCH-UHFFFAOYSA-N 0 0 327.340 2.962 50 0 EFAARN Cc1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)ccc12 ZINC000000489525 471366858 /nfs/dbraw/zinc/36/68/58/471366858.db2.gz YYXDPXCCFCWHLC-UHFFFAOYSA-N 0 0 337.375 2.839 50 0 biogenic EFAARN CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000516636 471367606 /nfs/dbraw/zinc/36/76/06/471367606.db2.gz DMLPQVUHUSUIBX-UHFFFAOYSA-N 0 0 332.425 2.556 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)NC1CCCCC1 ZINC000000509202 471367860 /nfs/dbraw/zinc/36/78/60/471367860.db2.gz RBILIPMWOWIEDW-UHFFFAOYSA-N 0 0 336.388 2.945 50 0 EFAARN C[C@@H](CCc1ccco1)NC(=O)c1coc(=O)c(Br)c1 ZINC000000521037 471368004 /nfs/dbraw/zinc/36/80/04/471368004.db2.gz LBSUEVSUJFKPEC-VIFPVBQESA-N 0 0 340.173 2.746 50 0 EFAARN COc1ccc(Cn2cnc3c4cc(OC)ccc4[nH]c3c2=O)cc1 ZINC000000526109 471368011 /nfs/dbraw/zinc/36/80/11/471368011.db2.gz XTSLBGDSSJASOF-UHFFFAOYSA-N 0 0 335.363 2.943 50 0 biogenic EFAARN O=C(NCCc1ccc(F)cc1)c1coc(=O)c(Br)c1 ZINC000000509850 471368186 /nfs/dbraw/zinc/36/81/86/471368186.db2.gz FRGCOZHHQAMWET-UHFFFAOYSA-N 0 0 340.148 2.514 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)OCO2 ZINC000000526240 471368201 /nfs/dbraw/zinc/36/82/01/471368201.db2.gz PFXMQOCDRSZZLM-MRXNPFEDSA-N 0 0 329.308 2.714 50 0 biogenic EFAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000000523260 471368228 /nfs/dbraw/zinc/36/82/28/471368228.db2.gz HNLBLILGLLQZJR-UHFFFAOYSA-N 0 0 342.380 2.871 50 0 EFAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccn1 ZINC000000532330 471368395 /nfs/dbraw/zinc/36/83/95/471368395.db2.gz OFOPNIPXXVOIQA-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 ZINC000000533125 471368473 /nfs/dbraw/zinc/36/84/73/471368473.db2.gz DJCNUALEMAOTOJ-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1 ZINC000000530095 471368561 /nfs/dbraw/zinc/36/85/61/471368561.db2.gz TWMXXZLNTQFSSS-UHFFFAOYSA-N 0 0 349.435 2.910 50 0 EFAARN CN(C)c1ncnc2c1N[C@H](O)c1c(F)c(F)c(F)c(F)c1S2 ZINC000000529577 471368852 /nfs/dbraw/zinc/36/88/52/471368852.db2.gz ARRZIMQDQLGDTA-GFCCVEGCSA-N 0 0 346.309 2.667 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O=C(CCCn1nnc2ccccc2c1=O)Nc1cccc(Cl)c1 ZINC000005344928 471501185 /nfs/dbraw/zinc/50/11/85/471501185.db2.gz KTQKIPOCHFTIAM-UHFFFAOYSA-N 0 0 342.786 2.864 50 0 EFAARN Cc1cc(C)n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2n1 ZINC000005346213 471501270 /nfs/dbraw/zinc/50/12/70/471501270.db2.gz MCKCSLZDHWAAHD-UHFFFAOYSA-N 0 0 349.438 2.836 50 0 EFAARN Cn1ncc2c1ncnc2Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000005346773 471501612 /nfs/dbraw/zinc/50/16/12/471501612.db2.gz JWLBDNDGWIGWRY-UHFFFAOYSA-N 0 0 334.339 2.952 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000005367478 471502291 /nfs/dbraw/zinc/50/22/91/471502291.db2.gz OJKFYONUBVDEBI-ZDUSSCGKSA-N 0 0 340.379 2.679 50 0 EFAARN Cc1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000005399236 471503502 /nfs/dbraw/zinc/50/35/02/471503502.db2.gz LJZGVQSPRYFZTQ-UHFFFAOYSA-N 0 0 337.354 2.997 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1C ZINC000005401527 471503730 /nfs/dbraw/zinc/50/37/30/471503730.db2.gz JIBRQNBSYIMKHT-UHFFFAOYSA-N 0 0 325.412 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CCOC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000013745535 471842411 /nfs/dbraw/zinc/84/24/11/471842411.db2.gz YFNPKGKNRBORCG-LBPRGKRZSA-N 0 0 326.418 2.818 50 0 EFAARN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000013745561 471842711 /nfs/dbraw/zinc/84/27/11/471842711.db2.gz LFYRNGQBVOTPNN-LBPRGKRZSA-N 0 0 326.418 2.676 50 0 EFAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCN(C)C1 ZINC000013735654 471842771 /nfs/dbraw/zinc/84/27/71/471842771.db2.gz LXDOMNPMVLQBRR-UHFFFAOYSA-N 0 0 336.395 2.743 50 0 EFAARN COC(=O)c1sccc1NC(=O)N1CCN(c2ccccc2)CC1 ZINC000013736950 471842983 /nfs/dbraw/zinc/84/29/83/471842983.db2.gz YRADDMAOIQQRRN-UHFFFAOYSA-N 0 0 345.424 2.889 50 0 EFAARN Cc1nc(SCC(=O)Nc2ccc(Br)cn2)[nH]c1C ZINC000015082157 471888766 /nfs/dbraw/zinc/88/87/66/471888766.db2.gz PMNJNXOUFFGFKM-UHFFFAOYSA-N 0 0 341.234 2.915 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000013945970 471845612 /nfs/dbraw/zinc/84/56/12/471845612.db2.gz MVWCWJLLZKRAPD-UHFFFAOYSA-N 0 0 340.423 2.975 50 0 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348.374 2.891 50 0 EFAARN COc1ccc(C[C@@H]2CN(C(=O)CCc3ccco3)CCO2)cc1 ZINC000014978374 471884297 /nfs/dbraw/zinc/88/42/97/471884297.db2.gz VONITUFWWUJTOJ-GOSISDBHSA-N 0 0 329.396 2.691 50 0 EFAARN Cc1c(CC(=O)N(C)CCO)c2c(n1CC(C)C)CC(C)(C)CC2=O ZINC000014980200 471884486 /nfs/dbraw/zinc/88/44/86/471884486.db2.gz NBCQKVWQXHPUDG-UHFFFAOYSA-N 0 0 348.487 2.601 50 0 EFAARN COc1cccc(C[C@H]2CN(C(=O)CCC(F)(F)F)CCO2)c1 ZINC000014977172 471884801 /nfs/dbraw/zinc/88/48/01/471884801.db2.gz ZPUBBTXIWXMVQS-AWEZNQCLSA-N 0 0 331.334 2.808 50 0 EFAARN Cc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1 ZINC000014988960 471884836 /nfs/dbraw/zinc/88/48/36/471884836.db2.gz HNZHTPFGRHTNOU-ZDUSSCGKSA-N 0 0 337.420 2.734 50 0 EFAARN Cc1c(C=C2SC(=S)NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000015018460 471885291 /nfs/dbraw/zinc/88/52/91/471885291.db2.gz IJVPHSPNEPWLQS-WQLSENKSSA-N 0 0 331.422 2.814 50 0 EFAARN CC(C)c1nc(CNC(=O)c2ccc(N3CCCCCC3)nc2)no1 ZINC000015062801 471887489 /nfs/dbraw/zinc/88/74/89/471887489.db2.gz 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O=C(CSc1n[nH]c(-c2ccccn2)n1)Nc1ccc(F)cc1 ZINC000015913394 471920897 /nfs/dbraw/zinc/92/08/97/471920897.db2.gz GRWLPTCQVGSXPP-UHFFFAOYSA-N 0 0 329.360 2.737 50 0 EFAARN O=C(Nc1cccc(Br)c1)c1ccccc1-n1cnnn1 ZINC000016028243 471924827 /nfs/dbraw/zinc/92/48/27/471924827.db2.gz GMPUBYCROCFBDE-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1 ZINC000016091221 471925182 /nfs/dbraw/zinc/92/51/82/471925182.db2.gz MNBDBHHKEBVECW-HNNXBMFYSA-N 0 0 336.413 2.826 50 0 EFAARN CCOc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC2)cc1 ZINC000016276328 471929016 /nfs/dbraw/zinc/92/90/16/471929016.db2.gz DYQIXLVVGSDMOD-UHFFFAOYSA-N 0 0 346.456 2.689 50 0 EFAARN O=C(NC1=C[C@H]2N=C(c3ccncc3)O[C@H]2C=C1)c1cccc(F)c1 ZINC000016399117 471936139 /nfs/dbraw/zinc/93/61/39/471936139.db2.gz ZUMWYNMCDPQBDV-SJORKVTESA-N 0 0 335.338 2.618 50 0 EFAARN CCn1c2cc(Br)c(NC(C)=O)cc2n(CC)c1=O ZINC000016489500 471938878 /nfs/dbraw/zinc/93/88/78/471938878.db2.gz NHEGWCFQPXFACE-UHFFFAOYSA-N 0 0 326.194 2.564 50 0 EFAARN CCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000016488160 471939422 /nfs/dbraw/zinc/93/94/22/471939422.db2.gz LOJGXKWNKKITCL-UHFFFAOYSA-N 0 0 337.423 2.998 50 0 EFAARN Cc1ccc(CNC(=O)CN2CCN(c3ccccc3F)CC2)cc1 ZINC000016474624 471939521 /nfs/dbraw/zinc/93/95/21/471939521.db2.gz ZCEIDPXXJDBPIK-UHFFFAOYSA-N 0 0 341.430 2.573 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12 ZINC000016578816 471941229 /nfs/dbraw/zinc/94/12/29/471941229.db2.gz JHPBVHJTBYVXGL-UHFFFAOYSA-N 0 0 328.393 2.722 50 0 EFAARN Cc1cccc(CS(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000016579530 471941951 /nfs/dbraw/zinc/94/19/51/471941951.db2.gz SLBMLIYMVSNZLP-UHFFFAOYSA-N 0 0 348.443 2.786 50 0 EFAARN Cc1ccc(CN2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC000016602810 471943917 /nfs/dbraw/zinc/94/39/17/471943917.db2.gz BDGRTYIZHDSPGR-UHFFFAOYSA-N 0 0 342.414 2.857 50 0 EFAARN CCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000016622880 471943936 /nfs/dbraw/zinc/94/39/36/471943936.db2.gz ZHECTRYTJBPIGD-UHFFFAOYSA-N 0 0 348.424 2.675 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2.704 50 0 EFAARN CCc1ccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 ZINC000016689052 471948016 /nfs/dbraw/zinc/94/80/16/471948016.db2.gz HZNISQRIDXIUTR-UHFFFAOYSA-N 0 0 340.379 2.622 50 0 EFAARN Cc1ccc(/C=C/c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1 ZINC000016735655 471949167 /nfs/dbraw/zinc/94/91/67/471949167.db2.gz LWVKEUKFBWFZKJ-NOCYUORASA-N 0 0 335.388 2.771 50 0 EFAARN Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1 ZINC000016753751 471950212 /nfs/dbraw/zinc/95/02/12/471950212.db2.gz VBYSRCKBQKXGGV-GOSISDBHSA-N 0 0 349.386 2.947 50 0 EFAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c(OC)co2)cc1 ZINC000016850829 471950423 /nfs/dbraw/zinc/95/04/23/471950423.db2.gz XWSSZISWLILWTP-UHFFFAOYSA-N 0 0 345.351 2.858 50 0 EFAARN CC(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1 ZINC000017042537 471952885 /nfs/dbraw/zinc/95/28/85/471952885.db2.gz UUZHUMFMNMFOOY-UHFFFAOYSA-N 0 0 325.416 2.506 50 0 EFAARN FC(F)(F)COCc1ccc(-c2nc3c4cnnc-4ncn3[nH]2)cc1 ZINC000017072340 471955934 /nfs/dbraw/zinc/95/59/34/471955934.db2.gz 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IBCSRDUQSMOZNK-FMIVXFBMSA-N 0 0 338.407 2.644 50 0 EFAARN Cn1cc(C(=O)NCCNC(=O)CC2CCCCC2)c2ccccc21 ZINC000032090547 472413471 /nfs/dbraw/zinc/41/34/71/472413471.db2.gz WXWDVKJXVTVNJB-UHFFFAOYSA-N 0 0 341.455 2.995 50 0 EFAARN Cn1c(C(=O)NCCNC(=O)CCc2ccccc2)cc2ccccc21 ZINC000032095268 472413747 /nfs/dbraw/zinc/41/37/47/472413747.db2.gz AEQQYYWHHKYOPP-UHFFFAOYSA-N 0 0 349.434 2.657 50 0 EFAARN COC(=O)[C@H](CCSC)NC(=O)c1cccc(-n2cccc2)c1 ZINC000032124110 472415211 /nfs/dbraw/zinc/41/52/11/472415211.db2.gz KREJLXSJRYRZGN-HNNXBMFYSA-N 0 0 332.425 2.502 50 0 biogenic EFAARN Cc1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)n1 ZINC000032103724 472415328 /nfs/dbraw/zinc/41/53/28/472415328.db2.gz OLVUWORQZIYPAD-LBPRGKRZSA-N 0 0 333.388 2.578 50 0 EFAARN CC(C)Sc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 ZINC000032105973 472416489 /nfs/dbraw/zinc/41/64/89/472416489.db2.gz MGQXZGQECXDQBB-UHFFFAOYSA-N 0 0 348.453 2.879 50 0 EFAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC(c2ccccc2)CC1 ZINC000032366275 472425126 /nfs/dbraw/zinc/42/51/26/472425126.db2.gz TUTFILTZNSIVRZ-UHFFFAOYSA-N 0 0 333.395 2.682 50 0 EFAARN Cc1nnsc1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000032497954 472440901 /nfs/dbraw/zinc/44/09/01/472440901.db2.gz QXWCLBLSCRKWTJ-HNNXBMFYSA-N 0 0 330.457 2.804 50 0 EFAARN CC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1C ZINC000032497928 472441220 /nfs/dbraw/zinc/44/12/20/472441220.db2.gz TURJIZRTMSDFRL-UHFFFAOYSA-N 0 0 336.395 2.620 50 0 EFAARN CSCc1nc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)cs1 ZINC000097088624 472442777 /nfs/dbraw/zinc/44/27/77/472442777.db2.gz NNWMLEHEEKFCDS-UHFFFAOYSA-N 0 0 345.453 2.721 50 0 EFAARN COc1ccc(NC(=O)CC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000032579437 472443507 /nfs/dbraw/zinc/44/35/07/472443507.db2.gz NTCHJHCHBALFIX-UHFFFAOYSA-N 0 0 344.367 2.680 50 0 EFAARN O=C(CCC(=O)OC[C@@H](F)C(F)(F)C(F)F)NC1CCCCC1 ZINC000032581195 472443805 /nfs/dbraw/zinc/44/38/05/472443805.db2.gz KYDYBWCTFVREJJ-SNVBAGLBSA-N 0 0 345.308 2.997 50 0 EFAARN CSC[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 ZINC000097099266 472445049 /nfs/dbraw/zinc/44/50/49/472445049.db2.gz FWWKCTPBVFHTAS-CYBMUJFWSA-N 0 0 328.441 2.754 50 0 EFAARN CCOC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1cccs1 ZINC000032594557 472445052 /nfs/dbraw/zinc/44/50/52/472445052.db2.gz FYSMDTUPQISGEP-VXNVDRBHSA-N 0 0 327.452 2.915 50 0 EFAARN Cc1cccc(-c2noc([C@H]3CC(=O)N(Cc4ccccn4)C3)n2)c1 ZINC000032587093 472445429 /nfs/dbraw/zinc/44/54/29/472445429.db2.gz FVSIWGDDUHGIQX-HNNXBMFYSA-N 0 0 334.379 2.956 50 0 EFAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccnn1Cc1ccco1 ZINC000032593308 472445544 /nfs/dbraw/zinc/44/55/44/472445544.db2.gz CRYIBFZQEWXBCJ-ZDUSSCGKSA-N 0 0 341.367 2.939 50 0 EFAARN CCCCN1C(=O)COc2ccc(NC(=O)c3snnc3C)cc21 ZINC000032593600 472445763 /nfs/dbraw/zinc/44/57/63/472445763.db2.gz XMFVTCAWXHSFIS-UHFFFAOYSA-N 0 0 346.412 2.624 50 0 EFAARN CCc1cc(=O)n(CC(=O)NCCC(C)C)c(-c2cccc(F)c2)n1 ZINC000057508136 472446150 /nfs/dbraw/zinc/44/61/50/472446150.db2.gz KCJIOEHMHSWKSW-UHFFFAOYSA-N 0 0 345.418 2.774 50 0 EFAARN COc1ccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)cn1 ZINC000097099271 472446278 /nfs/dbraw/zinc/44/62/78/472446278.db2.gz ZBAAZGNOQXRCEH-UHFFFAOYSA-N 0 0 348.406 2.534 50 0 EFAARN CCc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)[nH]1 ZINC000057520868 472447862 /nfs/dbraw/zinc/44/78/62/472447862.db2.gz DCTIJGPJCVDQCP-UHFFFAOYSA-N 0 0 342.424 2.853 50 0 EFAARN CC(C)Oc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000032624007 472447935 /nfs/dbraw/zinc/44/79/35/472447935.db2.gz HKUDLSJQARNDCQ-UHFFFAOYSA-N 0 0 339.439 2.827 50 0 EFAARN CSCC[C@@H](NC(=O)c1c(C)noc1C)c1nnc2ccccn21 ZINC000057563740 472450602 /nfs/dbraw/zinc/45/06/02/472450602.db2.gz GASLANCGVMYTKM-GFCCVEGCSA-N 0 0 345.428 2.558 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCC[C@@H](O)c1cccs1 ZINC000077113979 472454857 /nfs/dbraw/zinc/45/48/57/472454857.db2.gz ORPXVDHTTPQPTP-DIECRNLCSA-N 0 0 331.393 2.730 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCC[C@H](O)c1cccs1 ZINC000077113982 472455097 /nfs/dbraw/zinc/45/50/97/472455097.db2.gz ORPXVDHTTPQPTP-BPJJOFIESA-N 0 0 331.393 2.730 50 0 EFAARN Cc1ccnc(Oc2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)n1 ZINC000077139374 472458093 /nfs/dbraw/zinc/45/80/93/472458093.db2.gz DQZKUSUDNVZTFP-UHFFFAOYSA-N 0 0 348.362 2.929 50 0 EFAARN CCCn1nc(C)c(NC(=O)N[C@H](C)c2cn3ncsc3n2)c1C ZINC000097137419 472458189 /nfs/dbraw/zinc/45/81/89/472458189.db2.gz IKFYCOOMWAWBES-SECBINFHSA-N 0 0 347.448 2.897 50 0 EFAARN OC[C@@H](CNc1nccc(-c2cccnc2)n1)Cc1ccsc1 ZINC000097137856 472458893 /nfs/dbraw/zinc/45/88/93/472458893.db2.gz SHANXWDUBJTIMC-CQSZACIVSA-N 0 0 326.425 2.863 50 0 EFAARN O=C(NCCCn1nnc2ccccc21)c1ccc2ncsc2c1 ZINC000097156020 472466623 /nfs/dbraw/zinc/46/66/23/472466623.db2.gz KECZASMJFGHYGB-UHFFFAOYSA-N 0 0 337.408 2.861 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1csc(-c3ccco3)n1)C2 ZINC000097198290 472473957 /nfs/dbraw/zinc/47/39/57/472473957.db2.gz WIIPIRIRTJKTOI-LLVKDONJSA-N 0 0 328.397 2.653 50 0 EFAARN CCc1nnc2n1C[C@H](NC(=O)c1cc(Cl)sc1Cl)CC2 ZINC000097199127 472474830 /nfs/dbraw/zinc/47/48/30/472474830.db2.gz JARPJGPTXAQULP-SSDOTTSWSA-N 0 0 345.255 2.954 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000097198367 472474909 /nfs/dbraw/zinc/47/49/09/472474909.db2.gz UBRNZJNGUBSACJ-JTQLQIEISA-N 0 0 340.246 2.760 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)C1=Cc3cc(Cl)ccc3OC1)C2 ZINC000097198614 472475286 /nfs/dbraw/zinc/47/52/86/472475286.db2.gz SUOIGPXPSQGIJZ-OAHLLOKOSA-N 0 0 343.814 2.752 50 0 EFAARN CCc1cc2c(ncnc2N[C@@H]2CCc3nnc(CC)n3C2)s1 ZINC000097199282 472475744 /nfs/dbraw/zinc/47/57/44/472475744.db2.gz WEZYCNFANFHEEM-SNVBAGLBSA-N 0 0 328.445 2.835 50 0 EFAARN Cc1ccc(NC[C@@H]2CCN(CC(=O)NCc3cccs3)C2)nc1 ZINC000097200757 472476776 /nfs/dbraw/zinc/47/67/76/472476776.db2.gz WUOKIQGGEZRKFL-HNNXBMFYSA-N 0 0 344.484 2.502 50 0 EFAARN O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(-c2ccccn2)n[nH]1 ZINC000097213130 472481596 /nfs/dbraw/zinc/48/15/96/472481596.db2.gz YWISTKWCWBTUIG-AWEZNQCLSA-N 0 0 347.300 2.900 50 0 EFAARN CN(C)S(=O)(=O)CCCN(Cc1c(F)cccc1Cl)C1CC1 ZINC000057871767 472487360 /nfs/dbraw/zinc/48/73/60/472487360.db2.gz SFPFVDAUZQDULF-UHFFFAOYSA-N 0 0 348.871 2.725 50 0 EFAARN Nc1nc(CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)cs1 ZINC000077286158 472494243 /nfs/dbraw/zinc/49/42/43/472494243.db2.gz LOAANFZRTITESW-UHFFFAOYSA-N 0 0 348.447 2.536 50 0 EFAARN NC(=O)c1ccc(-n2ccnc2-c2cccc(O)c2)cc1N1CCCC1 ZINC000077285244 472494585 /nfs/dbraw/zinc/49/45/85/472494585.db2.gz RNIKKYDZTHFNKZ-UHFFFAOYSA-N 0 0 348.406 2.944 50 0 EFAARN CC(C)OCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C ZINC000033088923 472494935 /nfs/dbraw/zinc/49/49/35/472494935.db2.gz JUCCSQLTPWJTLG-CYBMUJFWSA-N 0 0 328.412 2.664 50 0 EFAARN CCCC[C@H]1C(=O)N(C)CCN1Cc1cnn(-c2cccc(F)c2)c1 ZINC000077302442 472496491 /nfs/dbraw/zinc/49/64/91/472496491.db2.gz WSPFYZRAWLEXSN-SFHVURJKSA-N 0 0 344.434 2.844 50 0 EFAARN Cc1cnn(CCC(=O)N2CCC(Oc3ccccc3C)CC2)c1 ZINC000077299099 472496744 /nfs/dbraw/zinc/49/67/44/472496744.db2.gz NUSTUFNYCJVTCZ-UHFFFAOYSA-N 0 0 327.428 2.960 50 0 EFAARN O=C(Cc1ccccc1O)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077300953 472497334 /nfs/dbraw/zinc/49/73/34/472497334.db2.gz MWFAFWBEAJWGEU-HXUWFJFHSA-N 0 0 339.435 2.777 50 0 EFAARN CN(C)c1nc2c(c(N3CCC[C@H](c4ncc[nH]4)C3)n1)CCCC2 ZINC000077301031 472497421 /nfs/dbraw/zinc/49/74/21/472497421.db2.gz ABMVFKJAJYUSSZ-ZDUSSCGKSA-N 0 0 326.448 2.529 50 0 EFAARN C[C@H]1CCCN(c2nc3n[nH]nc3c(Nc3ccc(F)cc3)n2)C1 ZINC000070655785 472501744 /nfs/dbraw/zinc/50/17/44/472501744.db2.gz GFPIZAUGCLUXMR-JTQLQIEISA-N 0 0 327.367 2.867 50 0 EFAARN CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NC2CCCC2)C1 ZINC000077319160 472502305 /nfs/dbraw/zinc/50/23/05/472502305.db2.gz LMRLTZOBMFQRFK-UHFFFAOYSA-N 0 0 337.427 2.798 50 0 EFAARN COc1ccc(OC2CCN(C(=O)C[C@@H](C)n3ccnc3)CC2)cc1 ZINC000077322401 472503852 /nfs/dbraw/zinc/50/38/52/472503852.db2.gz AQWWLPCBOVLPPT-OAHLLOKOSA-N 0 0 343.427 2.913 50 0 EFAARN O=C(CCCn1cncn1)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000077320807 472504203 /nfs/dbraw/zinc/50/42/03/472504203.db2.gz QIHCINPCRKHYQB-UHFFFAOYSA-N 0 0 343.818 2.778 50 0 EFAARN O=S(=O)(N1CCCC1)N1CCCC[C@H]1CCc1cccs1 ZINC000077339324 472507240 /nfs/dbraw/zinc/50/72/40/472507240.db2.gz VUCBQQQFAINOBD-AWEZNQCLSA-N 0 0 328.503 2.876 50 0 EFAARN CN(C)Cc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)o1 ZINC000097784852 472507540 /nfs/dbraw/zinc/50/75/40/472507540.db2.gz YBYUYTMOWATYQN-CYBMUJFWSA-N 0 0 327.306 2.770 50 0 EFAARN COc1cc2c(cc1C(=O)NCc1ccc(F)cc1)OCCCO2 ZINC000046077845 472507650 /nfs/dbraw/zinc/50/76/50/472507650.db2.gz LXWHWYMQLQLCMV-UHFFFAOYSA-N 0 0 331.343 2.926 50 0 EFAARN COc1nc(C)c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)s1 ZINC000077339796 472507964 /nfs/dbraw/zinc/50/79/64/472507964.db2.gz HCACEKKLWBECFW-UHFFFAOYSA-N 0 0 342.424 2.918 50 0 EFAARN CC(C)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c(=O)[nH]1 ZINC000097805789 472507977 /nfs/dbraw/zinc/50/79/77/472507977.db2.gz CAXKXEYBESKMJA-HNNXBMFYSA-N 0 0 330.432 2.540 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC000077341025 472508260 /nfs/dbraw/zinc/50/82/60/472508260.db2.gz CCXDLFIVIWEXRS-OAHLLOKOSA-N 0 0 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CCc1ccc2nc(C)cc(C(=O)N(C)C[C@H]3COCCO3)c2c1 ZINC000077505976 472542567 /nfs/dbraw/zinc/54/25/67/472542567.db2.gz HIAOOMPIGOROSW-HNNXBMFYSA-N 0 0 328.412 2.593 50 0 EFAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)Cc3cccnc3)C2)c1 ZINC000077506155 472542830 /nfs/dbraw/zinc/54/28/30/472542830.db2.gz RBGKJCQRZMADEA-OAHLLOKOSA-N 0 0 326.396 2.657 50 0 EFAARN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000077516261 472544916 /nfs/dbraw/zinc/54/49/16/472544916.db2.gz MCLFMYDLGVWSLQ-MRXNPFEDSA-N 0 0 338.407 2.916 50 0 EFAARN Cc1cc(S(=O)(=O)N2CCC[C@H](C)C2)cc2c1NC(=O)C2(C)C ZINC000071196012 472545047 /nfs/dbraw/zinc/54/50/47/472545047.db2.gz GKHNFHMGCZKCJC-NSHDSACASA-N 0 0 336.457 2.645 50 0 EFAARN Cc1ccccc1[C@H](NC(=O)Cc1nnc(N)s1)c1cccs1 ZINC000071278883 472545949 /nfs/dbraw/zinc/54/59/49/472545949.db2.gz CGJKJZJAWKKJJZ-HNNXBMFYSA-N 0 0 344.465 2.939 50 0 EFAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000071280828 472546044 /nfs/dbraw/zinc/54/60/44/472546044.db2.gz 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CCCc1nnc2sc([C@H]3CCCN(c4ccccn4)C3)nn12 ZINC000071422106 472552490 /nfs/dbraw/zinc/55/24/90/472552490.db2.gz AVFDURHBNOBQFB-LBPRGKRZSA-N 0 0 328.445 2.917 50 0 EFAARN O=C(Cn1ccccc1=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071439591 472552645 /nfs/dbraw/zinc/55/26/45/472552645.db2.gz IMZUTKMURYDAHB-KRWDZBQOSA-N 0 0 342.414 2.859 50 0 EFAARN CC(C)NC(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 ZINC000058344067 472552888 /nfs/dbraw/zinc/55/28/88/472552888.db2.gz SLEQFPONIMOAHG-UHFFFAOYSA-N 0 0 343.408 2.947 50 0 EFAARN CCOc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)o1 ZINC000071576200 472553362 /nfs/dbraw/zinc/55/33/62/472553362.db2.gz SAVBUHZHLPMZKD-HNNXBMFYSA-N 0 0 333.359 2.901 50 0 EFAARN CC(=O)N[C@@H]1CCN(Cc2nc(-c3cccc(F)c3F)oc2C)C1 ZINC000071661711 472555114 /nfs/dbraw/zinc/55/51/14/472555114.db2.gz QWHJDFWVAMZVSE-GFCCVEGCSA-N 0 0 335.354 2.639 50 0 EFAARN O=C(C(=O)N1CCCC[C@H]1CCc1cccc(O)c1)c1cccnc1 ZINC000071615174 472555390 /nfs/dbraw/zinc/55/53/90/472555390.db2.gz RWGBBDIPKTZFAC-KRWDZBQOSA-N 0 0 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/nfs/dbraw/zinc/94/87/06/472948706.db2.gz JFYMXUBZMKGMQU-GOSISDBHSA-N 0 0 340.427 2.833 50 0 EFAARN CN1CCc2ncnc(N3CCC(COc4ccccc4)CC3)c2C1 ZINC000065465981 472948718 /nfs/dbraw/zinc/94/87/18/472948718.db2.gz MIUJIROBLMZAQE-UHFFFAOYSA-N 0 0 338.455 2.760 50 0 EFAARN Cc1csc([C@@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n1 ZINC000065465957 472948901 /nfs/dbraw/zinc/94/89/01/472948901.db2.gz DEFKFKYYMJGNQB-VIFPVBQESA-N 0 0 330.335 2.838 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(OCC3CC3)cc1)C2 ZINC000065466116 472949242 /nfs/dbraw/zinc/94/92/42/472949242.db2.gz QAVXGPONYZPDNF-MRXNPFEDSA-N 0 0 325.412 2.725 50 0 EFAARN Cc1csc([C@@H]2CN(Cc3cnn(-c4ccccc4)n3)CCO2)n1 ZINC000065473384 472949622 /nfs/dbraw/zinc/94/96/22/472949622.db2.gz MZBNGQXKKLQQFV-INIZCTEOSA-N 0 0 341.440 2.606 50 0 EFAARN Cc1csc([C@@H]2CN(Cc3nc(-c4ccco4)no3)CCO2)n1 ZINC000065473274 472949785 /nfs/dbraw/zinc/94/97/85/472949785.db2.gz RPRUUXYIBDEOIW-LBPRGKRZSA-N 0 0 332.385 2.668 50 0 EFAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cnn3ccn(C)c23)no1 ZINC000065488900 472954481 /nfs/dbraw/zinc/95/44/81/472954481.db2.gz JPMYOXAKVCTIMC-CQSZACIVSA-N 0 0 327.388 2.762 50 0 EFAARN O=C1C[C@@H](c2ccccc2)CN1Cc1nnc(Cc2ccccc2)[nH]1 ZINC000065494023 472956227 /nfs/dbraw/zinc/95/62/27/472956227.db2.gz OTAFXQOSCYEPQA-QGZVFWFLSA-N 0 0 332.407 2.912 50 0 EFAARN CC[C@H](CO)N(Cc1ccco1)C(=O)Cc1cnc2c(C)cccn12 ZINC000065493074 472956269 /nfs/dbraw/zinc/95/62/69/472956269.db2.gz SNZFQBBRPAQYMQ-OAHLLOKOSA-N 0 0 341.411 2.578 50 0 EFAARN CN(Cc1nc2ccccc2s1)c1ncnc2c1CN(C)CC2 ZINC000065491741 472956351 /nfs/dbraw/zinc/95/63/51/472956351.db2.gz FJURDLRMVSIIEV-UHFFFAOYSA-N 0 0 325.441 2.711 50 0 EFAARN FC(F)(F)c1ccc(-n2nc(C3CC3)nc2Cn2cncn2)cc1 ZINC000065497420 472957739 /nfs/dbraw/zinc/95/77/39/472957739.db2.gz QFZQUYDIYBETIY-UHFFFAOYSA-N 0 0 334.305 2.803 50 0 EFAARN COc1ccccc1[C@@H]1CNC(=O)c2[nH]c(-c3ccncc3C)nc2C1 ZINC000065502702 472958086 /nfs/dbraw/zinc/95/80/86/472958086.db2.gz HUFCVTBSHRXJEA-ZDUSSCGKSA-N 0 0 348.406 2.858 50 0 EFAARN COC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccn1 ZINC000065508261 472960452 /nfs/dbraw/zinc/96/04/52/472960452.db2.gz NTLWIAZLNRYVSE-GOSISDBHSA-N 0 0 336.395 2.759 50 0 EFAARN CNC(=O)C[C@H](C)N(C)C(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000065534537 472969877 /nfs/dbraw/zinc/96/98/77/472969877.db2.gz BZXQKDJBVAOSGB-AWEZNQCLSA-N 0 0 327.428 2.757 50 0 EFAARN CC(C)c1cc(C(=O)NC[C@]2(c3ccc(F)cc3)CCOC2)n(C)n1 ZINC000065536658 472969909 /nfs/dbraw/zinc/96/99/09/472969909.db2.gz OYDDXCMOTZHELR-LJQANCHMSA-N 0 0 345.418 2.771 50 0 EFAARN Cc1nnc2n1C[C@@H](NC(=O)c1cccnc1Oc1ccccc1)CC2 ZINC000065577970 472979842 /nfs/dbraw/zinc/97/98/42/472979842.db2.gz HWJNXTCCKRJTOX-AWEZNQCLSA-N 0 0 349.394 2.519 50 0 EFAARN O=C(CCCOCc1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000050288894 472987413 /nfs/dbraw/zinc/98/74/13/472987413.db2.gz LUVBSZNNVFRNFQ-KRWDZBQOSA-N 0 0 341.407 2.940 50 0 EFAARN CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccc2c(c1)OCO2 ZINC000107879038 472987864 /nfs/dbraw/zinc/98/78/64/472987864.db2.gz 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/nfs/dbraw/zinc/14/16/45/473141645.db2.gz UHVSQZFPKLZQKW-GOSISDBHSA-N 0 0 332.375 2.950 50 0 EFAARN C[C@@](O)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccs1 ZINC000075156063 473141709 /nfs/dbraw/zinc/14/17/09/473141709.db2.gz JUBVGPXWMJHPHK-CYBMUJFWSA-N 0 0 349.836 2.727 50 0 EFAARN O=C(CSc1ccc(F)cc1)NC[C@]1(O)CCc2ccccc21 ZINC000075155682 473141768 /nfs/dbraw/zinc/14/17/68/473141768.db2.gz GOABYPRUFWQHPY-GOSISDBHSA-N 0 0 331.412 2.868 50 0 EFAARN CSCC[C@](C)(O)CNC(=O)COc1ccc2ccccc2c1 ZINC000075157508 473142295 /nfs/dbraw/zinc/14/22/95/473142295.db2.gz ZDHGAQYJTUHJNO-SFHVURJKSA-N 0 0 333.453 2.839 50 0 EFAARN CC(C)N(Cc1ccccc1)C(=O)c1nnn(-c2ccc(F)cc2)n1 ZINC000075163525 473142860 /nfs/dbraw/zinc/14/28/60/473142860.db2.gz KYDSSKGEWJIRKK-UHFFFAOYSA-N 0 0 339.374 2.852 50 0 EFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1nnn(-c2ccc(Cl)cc2)n1 ZINC000075163640 473143043 /nfs/dbraw/zinc/14/30/43/473143043.db2.gz JNAJRSCBTWXWBE-LLVKDONJSA-N 0 0 339.786 2.907 50 0 EFAARN Cc1c(C(=O)Nc2nc3c(s2)COCC3)cnn1-c1ccccc1 ZINC000075166177 473144041 /nfs/dbraw/zinc/14/40/41/473144041.db2.gz QQFNMPQTSURLRC-UHFFFAOYSA-N 0 0 340.408 2.962 50 0 EFAARN COC(=O)N1CCc2ccccc2[C@@H]1C(=O)Nc1nc(C)cs1 ZINC000075165734 473144206 /nfs/dbraw/zinc/14/42/06/473144206.db2.gz FUGPJFFYIMQCMN-CYBMUJFWSA-N 0 0 331.397 2.756 50 0 EFAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000075165964 473144509 /nfs/dbraw/zinc/14/45/09/473144509.db2.gz AYOAFZLIIPFZEU-ZIAGYGMSSA-N 0 0 338.429 2.628 50 0 EFAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000075165966 473144573 /nfs/dbraw/zinc/14/45/73/473144573.db2.gz AYOAFZLIIPFZEU-KGLIPLIRSA-N 0 0 338.429 2.628 50 0 EFAARN COc1ccc(C)cc1NC(=O)c1ccc(-n2nc(C)cc2C)nn1 ZINC000075163932 473144633 /nfs/dbraw/zinc/14/46/33/473144633.db2.gz JUOUVDRUCJHRRW-UHFFFAOYSA-N 0 0 337.383 2.848 50 0 EFAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2cnccn2)C1 ZINC000075165886 473144983 /nfs/dbraw/zinc/14/49/83/473144983.db2.gz SKFXVLKDFYYFHI-HUUCEWRRSA-N 0 0 340.383 2.766 50 0 EFAARN O=S(=O)(NC[C@H](O)c1ccoc1)c1cc(Cl)ccc1Cl ZINC000075171891 473145646 /nfs/dbraw/zinc/14/56/46/473145646.db2.gz ABMLLPZCXDWJMV-NSHDSACASA-N 0 0 336.196 2.598 50 0 EFAARN C[C@H](NC(=O)N1CCOC2(CCCC2)C1)c1nc2ccccc2[nH]1 ZINC000136431208 473158622 /nfs/dbraw/zinc/15/86/22/473158622.db2.gz IEWRIAATTTXEQG-ZDUSSCGKSA-N 0 0 328.416 2.979 50 0 EFAARN Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)N3CCCC3)CC2)c(C)c1 ZINC000095353835 473190952 /nfs/dbraw/zinc/19/09/52/473190952.db2.gz QVISYNWOVDJZPR-SFHVURJKSA-N 0 0 344.455 2.764 50 0 EFAARN Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1C ZINC000095356227 473191179 /nfs/dbraw/zinc/19/11/79/473191179.db2.gz UALLJXJOIPYIEB-SFHVURJKSA-N 0 0 344.455 2.764 50 0 EFAARN CC(C)Oc1ccc(Cl)cc1[C@@H](C(=O)[O-])[NH+]1CCC(O)CC1 ZINC000095371611 473191842 /nfs/dbraw/zinc/19/18/42/473191842.db2.gz DHPBCFIVMWDHDJ-HNNXBMFYSA-N 0 0 327.808 2.710 50 0 EFAARN CCCCOc1cccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000137182996 473197098 /nfs/dbraw/zinc/19/70/98/473197098.db2.gz XTTGOGILDAVHSI-ZIAGYGMSSA-N 0 0 340.470 2.519 50 0 EFAARN O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000151126752 473412925 /nfs/dbraw/zinc/41/29/25/473412925.db2.gz WVKNHDSXFGCNRM-AWEZNQCLSA-N 0 0 338.816 2.577 50 0 EFAARN O=S(=O)(CC1CCCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000177741733 473426778 /nfs/dbraw/zinc/42/67/78/473426778.db2.gz ADCIOXHCYZJGEE-UHFFFAOYSA-N 0 0 333.457 2.524 50 0 EFAARN CC[C@@H]1c2cccn2CCN1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000151324175 473443471 /nfs/dbraw/zinc/44/34/71/473443471.db2.gz XCJPBSWBBAYNME-OAHLLOKOSA-N 0 0 337.427 2.994 50 0 EFAARN Cc1ccccc1CNC(=O)CN1CCC(O)(c2ccccc2)CC1 ZINC000185505750 473445168 /nfs/dbraw/zinc/44/51/68/473445168.db2.gz AUJHTBGTTBAHSN-UHFFFAOYSA-N 0 0 338.451 2.595 50 0 EFAARN Cc1cc(Nc2ncccc2S(N)(=O)=O)ccc1Br ZINC000096511518 473455599 /nfs/dbraw/zinc/45/55/99/473455599.db2.gz HLZYESIWCOOCNQ-UHFFFAOYSA-N 0 0 342.218 2.544 50 0 EFAARN COC(=O)c1[nH]c2cc(OC)ccc2c1I ZINC000096517699 473456562 /nfs/dbraw/zinc/45/65/62/473456562.db2.gz AMHGHLBILSVVAX-UHFFFAOYSA-N 0 0 331.109 2.568 50 0 EFAARN Cc1nc(CCNC(=O)CCn2cnc3ccccc32)sc1C ZINC000151519295 473468105 /nfs/dbraw/zinc/46/81/05/473468105.db2.gz LQWLDLQTBWWOQU-UHFFFAOYSA-N 0 0 328.441 2.859 50 0 EFAARN Nc1cccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000178455396 473517491 /nfs/dbraw/zinc/51/74/91/473517491.db2.gz WWPROVYIZIXHNT-UHFFFAOYSA-N 0 0 344.459 2.505 50 0 EFAARN COc1cc(=O)n2c(c1C(=O)Nc1cc(F)cc(F)c1)CCCC2 ZINC000169752872 473548633 /nfs/dbraw/zinc/54/86/33/473548633.db2.gz LEINQIOAMBUTFR-UHFFFAOYSA-N 0 0 334.322 2.724 50 0 EFAARN Cc1ccc(C2=NOC3(CCN(C(=O)c4cccs4)CC3)N2)cc1 ZINC000169754984 473548687 /nfs/dbraw/zinc/54/86/87/473548687.db2.gz IQXDCIGGIRCFRE-UHFFFAOYSA-N 0 0 341.436 2.970 50 0 EFAARN CN1c2cc(C(=O)NCc3cccs3)ccc2C(=O)N2CCC[C@H]21 ZINC000169765929 473548716 /nfs/dbraw/zinc/54/87/16/473548716.db2.gz UPXWJRISKCVFAJ-INIZCTEOSA-N 0 0 341.436 2.690 50 0 EFAARN Cc1ccc(C2=NOC3(CCN(C(=O)c4ccccc4)CC3)N2)cc1 ZINC000169755000 473548767 /nfs/dbraw/zinc/54/87/67/473548767.db2.gz VQWCIQHFOPZZPB-UHFFFAOYSA-N 0 0 335.407 2.909 50 0 EFAARN O=C1NC[C@@H](NCc2cccs2)n2nc(-c3cccs3)cc21 ZINC000169754515 473548825 /nfs/dbraw/zinc/54/88/25/473548825.db2.gz ZFJIFGIKWPMIPZ-AWEZNQCLSA-N 0 0 330.438 2.705 50 0 EFAARN CCCCN1C2=C(C(=O)OC2)[C@@H](c2ccc(OCC)cc2)NC1=O ZINC000169760840 473549112 /nfs/dbraw/zinc/54/91/12/473549112.db2.gz ADFOWYGLBBNCID-MRXNPFEDSA-N 0 0 330.384 2.763 50 0 EFAARN COc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1F)CCCC2 ZINC000169755653 473549358 /nfs/dbraw/zinc/54/93/58/473549358.db2.gz PCMRQCZJOUJDCV-UHFFFAOYSA-N 0 0 334.322 2.724 50 0 EFAARN C[C@@H](c1ccccn1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000172393185 473598210 /nfs/dbraw/zinc/59/82/10/473598210.db2.gz LQOYSPMRPJTWBR-NSHDSACASA-N 0 0 325.343 2.895 50 0 EFAARN COc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1OC ZINC000281434174 473719977 /nfs/dbraw/zinc/71/99/77/473719977.db2.gz YPEVHPLDKMRSIR-OAHLLOKOSA-N 0 0 329.400 2.805 50 0 EFAARN 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/nfs/dbraw/zinc/39/44/34/476394434.db2.gz SEQKEFBXNCPQJF-UHFFFAOYSA-N 0 0 341.411 2.646 50 0 EFAARN Cc1cc(S(=O)(=O)NCCC[C@H]2CCOC2)c(Cl)cc1F ZINC000452010327 476775228 /nfs/dbraw/zinc/77/52/28/476775228.db2.gz AVAINFDHBSPKIC-NSHDSACASA-N 0 0 335.828 2.883 50 0 EFAARN COC(=O)c1ccc(F)c(NC(=O)c2cnc3ccc(F)cn32)c1 ZINC000390822278 476799645 /nfs/dbraw/zinc/79/96/45/476799645.db2.gz VUHIPTLZNCZSIB-UHFFFAOYSA-N 0 0 331.278 2.651 50 0 EFAARN Cc1cc(-c2cccnc2)nn1CCNC(=O)NC1CCCCC1 ZINC000390826898 476800613 /nfs/dbraw/zinc/80/06/13/476800613.db2.gz QWUJXAQAYDZGBO-UHFFFAOYSA-N 0 0 327.432 2.885 50 0 EFAARN Cc1cccc(CS(=O)(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)c1 ZINC000390826599 476800665 /nfs/dbraw/zinc/80/06/65/476800665.db2.gz ATNQQPCSHGKPPX-KRWDZBQOSA-N 0 0 349.456 2.703 50 0 EFAARN CN1c2ccc(NC(=O)/C=C/c3cccs3)cc2N(C)S1(=O)=O ZINC000390826638 476800856 /nfs/dbraw/zinc/80/08/56/476800856.db2.gz AYFIRIRGABNFDW-SOFGYWHQSA-N 0 0 349.437 2.531 50 0 EFAARN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(-c2ccco2)[nH]n1 ZINC000390827732 476800889 /nfs/dbraw/zinc/80/08/89/476800889.db2.gz JNSPJGPEAARZMV-ZDUSSCGKSA-N 0 0 341.371 2.688 50 0 EFAARN Cc1cc(-c2cccnc2)nn1CCNC(=O)c1ccc(F)c(F)c1 ZINC000390827636 476800945 /nfs/dbraw/zinc/80/09/45/476800945.db2.gz ZXRNTGRHGUKHBV-UHFFFAOYSA-N 0 0 342.349 2.962 50 0 EFAARN O=C(CN1Cc2ccccc2C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000390826589 476801034 /nfs/dbraw/zinc/80/10/34/476801034.db2.gz ARBAHSARBFCMPU-SFHVURJKSA-N 0 0 335.407 2.791 50 0 biogenic EFAARN Cc1ccccc1OCC(=O)NC[C@](O)(c1ccoc1)c1ccco1 ZINC000390827492 476801159 /nfs/dbraw/zinc/80/11/59/476801159.db2.gz YPRPLNDKEKESCI-IBGZPJMESA-N 0 0 341.363 2.612 50 0 EFAARN COc1ccc(C(=O)NC[C@@](O)(c2ccoc2)c2ccco2)cc1 ZINC000390826447 476801195 /nfs/dbraw/zinc/80/11/95/476801195.db2.gz LLORAOPRQCELCM-GOSISDBHSA-N 0 0 327.336 2.547 50 0 EFAARN O=C(/C=C/c1cccs1)NC[C@@](O)(c1ccoc1)c1ccco1 ZINC000390827416 476801212 /nfs/dbraw/zinc/80/12/12/476801212.db2.gz XNNZYEHMJOUKQJ-FUTAKVPZSA-N 0 0 329.377 3.000 50 0 EFAARN COc1ccccc1C(=O)NCCn1nc(-c2cccnc2)cc1C ZINC000390826515 476801235 /nfs/dbraw/zinc/80/12/35/476801235.db2.gz NEUUCUDASULZNY-UHFFFAOYSA-N 0 0 336.395 2.692 50 0 EFAARN O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1cc(C2CC2)on1 ZINC000390827794 476801314 /nfs/dbraw/zinc/80/13/14/476801314.db2.gz KFRNYQNWOWNMKX-KRWDZBQOSA-N 0 0 344.392 2.872 50 0 EFAARN O=C(Cc1ccsc1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390828963 476801764 /nfs/dbraw/zinc/80/17/64/476801764.db2.gz CLNMBKCSYXFOQU-INIZCTEOSA-N 0 0 349.477 2.679 50 0 EFAARN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc2[nH]cnc2c1 ZINC000390828805 476801870 /nfs/dbraw/zinc/80/18/70/476801870.db2.gz UMQKROYNLHAQKP-CQSZACIVSA-N 0 0 325.372 2.581 50 0 EFAARN CN(C)C(=O)N1CCC(CNC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000390831351 476802742 /nfs/dbraw/zinc/80/27/42/476802742.db2.gz RJLPVAHTTBLQTL-BQYQJAHWSA-N 0 0 349.862 2.863 50 0 EFAARN O=C(NCc1ccc(-c2ccoc2)nc1)[C@@H]1COc2ccccc2O1 ZINC000390832109 476803005 /nfs/dbraw/zinc/80/30/05/476803005.db2.gz XIAKWLHJRXBCOS-SFHVURJKSA-N 0 0 336.347 2.798 50 0 EFAARN CCn1cc(-c2noc(CNC(=O)c3c(F)cccc3Cl)n2)cn1 ZINC000390831277 476803358 /nfs/dbraw/zinc/80/33/58/476803358.db2.gz QWKOVVIJEFYADU-UHFFFAOYSA-N 0 0 349.753 2.676 50 0 EFAARN COc1ccc(CCC(=O)N2CC[C@H](OCC3CC3)C2)c(OC)c1 ZINC000390831992 476803478 /nfs/dbraw/zinc/80/34/78/476803478.db2.gz WNOWLCXPKUGEOJ-KRWDZBQOSA-N 0 0 333.428 2.664 50 0 EFAARN CCn1cc(-c2noc(CNC(=O)c3cccc(Cl)c3)n2)cn1 ZINC000390831751 476803622 /nfs/dbraw/zinc/80/36/22/476803622.db2.gz UPANTELQKRERDI-UHFFFAOYSA-N 0 0 331.763 2.536 50 0 EFAARN CCn1cc(-c2noc(CNC(=O)c3ccc(Cl)s3)n2)cn1 ZINC000390831709 476803720 /nfs/dbraw/zinc/80/37/20/476803720.db2.gz UHRPBMPIFOGMQL-UHFFFAOYSA-N 0 0 337.792 2.598 50 0 EFAARN COCCN1CCN(C(=O)[C@@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000426412287 477706739 /nfs/dbraw/zinc/70/67/39/477706739.db2.gz MZBPXBCUEWBLHZ-NRFANRHFSA-N 0 0 342.483 2.679 50 0 EFAARN CCOc1ccc([C@@H](C)N(C)C(=O)NCCc2csc(N)n2)cc1 ZINC000426412619 477706992 /nfs/dbraw/zinc/70/69/92/477706992.db2.gz AZIUPUQIXGZZRK-GFCCVEGCSA-N 0 0 348.472 3.069 50 0 EFAARN CN(C)C(=O)Cc1ccccc1NC(=O)N(C)CCC[C@H]1CCCO1 ZINC000426414921 477709564 /nfs/dbraw/zinc/70/95/64/477709564.db2.gz ZPPXULHNUIXFMS-INIZCTEOSA-N 0 0 347.459 2.740 50 0 EFAARN Cc1nccn1-c1ccc(CNC(=O)c2onc3c2CCCC3)cc1 ZINC000426445166 477709729 /nfs/dbraw/zinc/70/97/29/477709729.db2.gz VJNVLKOTBQTRQF-UHFFFAOYSA-N 0 0 336.395 2.978 50 0 EFAARN CCSCCNC(=O)N1CCN(c2ccccc2OC)C[C@@H]1C ZINC000426442005 477711004 /nfs/dbraw/zinc/71/10/04/477711004.db2.gz SQWUOADLICIRKQ-AWEZNQCLSA-N 0 0 337.489 2.668 50 0 EFAARN Cc1n[nH]c(C)c1CNC(=O)N(C)Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000426443243 477711071 /nfs/dbraw/zinc/71/10/71/477711071.db2.gz JHCQYYZTXOVHHN-UHFFFAOYSA-N 0 0 340.431 2.861 50 0 EFAARN C[C@@H]1CN(C(=O)NC2CCN(c3ccccc3F)CC2)CCCO1 ZINC000426518306 477712380 /nfs/dbraw/zinc/71/23/80/477712380.db2.gz KHRMMDZHRVDXLR-CQSZACIVSA-N 0 0 335.423 2.615 50 0 EFAARN C[C@H]1CN(C(=O)NC2CCN(c3ccccc3F)CC2)CCCO1 ZINC000426518305 477712487 /nfs/dbraw/zinc/71/24/87/477712487.db2.gz KHRMMDZHRVDXLR-AWEZNQCLSA-N 0 0 335.423 2.615 50 0 EFAARN O=C([O-])Cn1nccc1[C@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000426522884 477713747 /nfs/dbraw/zinc/71/37/47/477713747.db2.gz LTWWUBZZZXHZQT-LBPRGKRZSA-N 0 0 349.818 2.706 50 0 EFAARN CCc1nccn1CCNC(=O)c1ccc(-c2ccc(C)nn2)cc1 ZINC000426535961 477716732 /nfs/dbraw/zinc/71/67/32/477716732.db2.gz VUTMREHZYPLBFP-UHFFFAOYSA-N 0 0 335.411 2.641 50 0 EFAARN O=C(NCCCc1cccnc1)N1CC(OCc2ccccc2F)C1 ZINC000426534990 477717194 /nfs/dbraw/zinc/71/71/94/477717194.db2.gz ABCQZDDQSQKROZ-UHFFFAOYSA-N 0 0 343.402 2.764 50 0 EFAARN COCC[C@H]1CCCCN1C(=O)NCCc1nc(C)c(C)s1 ZINC000426538403 477717701 /nfs/dbraw/zinc/71/77/01/477717701.db2.gz PQKYAVROYNPXHH-CQSZACIVSA-N 0 0 325.478 2.903 50 0 EFAARN CNC(=O)C1(NC(=O)NCc2c(F)cccc2Cl)CCCCC1 ZINC000426549235 477718285 /nfs/dbraw/zinc/71/82/85/477718285.db2.gz ZISDATNTYPLSEQ-UHFFFAOYSA-N 0 0 341.814 2.727 50 0 EFAARN CCn1cc(CN(C)CC(=O)N[C@@H](C)c2ccc(C)cc2)c(C)n1 ZINC000426551058 477720689 /nfs/dbraw/zinc/72/06/89/477720689.db2.gz HROKXLKCOBJRKD-HNNXBMFYSA-N 0 0 328.460 2.829 50 0 EFAARN Cn1c(C(=O)N2CCC3(COC(=O)O3)CC2)cc2c1cccc2Cl ZINC000426551941 477720706 /nfs/dbraw/zinc/72/07/06/477720706.db2.gz GCOWUUQKYGPLFJ-UHFFFAOYSA-N 0 0 348.786 2.973 50 0 EFAARN CCc1ccc(CN2CCc3c(C(=O)N(C)C)csc3C2)nc1 ZINC000426551803 477720727 /nfs/dbraw/zinc/72/07/27/477720727.db2.gz MAGWYDKKTYXUBK-UHFFFAOYSA-N 0 0 329.469 2.966 50 0 EFAARN O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)NC1(CO)CCCC1 ZINC000426555468 477721100 /nfs/dbraw/zinc/72/11/00/477721100.db2.gz IPZXMEGXFQDXRL-KRWDZBQOSA-N 0 0 343.402 2.914 50 0 EFAARN Cc1cc(C)n([C@@H]2CCN(C(=O)NCCOc3ccc(F)cc3)C2)n1 ZINC000426582783 477721483 /nfs/dbraw/zinc/72/14/83/477721483.db2.gz HYLXHTPIABYZNG-MRXNPFEDSA-N 0 0 346.406 2.674 50 0 EFAARN O=C(NCCC1=CCCCC1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000426584839 477722305 /nfs/dbraw/zinc/72/23/05/477722305.db2.gz RJRXZPSYMNPDGI-HNNXBMFYSA-N 0 0 330.432 2.962 50 0 EFAARN C[C@@H](NC(=O)N(C)CCC1(O)CCCC1)c1nc2ccccc2[nH]1 ZINC000426596650 477723910 /nfs/dbraw/zinc/72/39/10/477723910.db2.gz SSSPETAAOUFOCW-CYBMUJFWSA-N 0 0 330.432 2.961 50 0 EFAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1cnc2ccccn12 ZINC000426618451 477727511 /nfs/dbraw/zinc/72/75/11/477727511.db2.gz XLSPIBZNYPKITR-OAHLLOKOSA-N 0 0 339.399 2.986 50 0 EFAARN CC(C)c1ccc(C(=O)N[C@H]2COC3(C2)CCCCC3)c(=O)n1C ZINC000426667604 477736160 /nfs/dbraw/zinc/73/61/60/477736160.db2.gz PMOLGCAXBABQKP-CQSZACIVSA-N 0 0 332.444 2.730 50 0 EFAARN CNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)c2)C1 ZINC000426669176 477736169 /nfs/dbraw/zinc/73/61/69/477736169.db2.gz WSMCUHSTMSHDIT-HNNXBMFYSA-N 0 0 349.390 2.703 50 0 EFAARN CCN(Cc1ccncc1)c1cc([C@H]2CCOC2)nc(COC)n1 ZINC000426668292 477736334 /nfs/dbraw/zinc/73/63/34/477736334.db2.gz KCTSCZDJZBCJFX-HNNXBMFYSA-N 0 0 328.416 2.548 50 0 EFAARN Cc1cc(Cl)ccc1-c1ccc(C(=O)N(CCO)CCO)cc1 ZINC000426684508 477736835 /nfs/dbraw/zinc/73/68/35/477736835.db2.gz OIBBYBFMOBLNSE-UHFFFAOYSA-N 0 0 333.815 2.742 50 0 EFAARN Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCC(c3cc[nH]n3)CC2)n1 ZINC000426678261 477736983 /nfs/dbraw/zinc/73/69/83/477736983.db2.gz YRFVFHRCXVYZRY-ZDUSSCGKSA-N 0 0 345.472 2.703 50 0 EFAARN COc1ccc(Cl)cc1CN(C)c1cc([C@H]2CCOC2)nc(N)n1 ZINC000426705634 477740028 /nfs/dbraw/zinc/74/00/28/477740028.db2.gz GYYPDCMTYBBIJN-NSHDSACASA-N 0 0 348.834 2.861 50 0 EFAARN Cc1ccc(-c2cccc(C(=O)N[C@H](C)c3ncnn3C)c2)c(C)n1 ZINC000426705974 477740263 /nfs/dbraw/zinc/74/02/63/477740263.db2.gz YEKJYQQNUWXXCA-CQSZACIVSA-N 0 0 335.411 2.985 50 0 EFAARN CN(Cc1nc(-c2ccncc2)no1)C(=O)NC1CCCCCC1 ZINC000426739063 477744205 /nfs/dbraw/zinc/74/42/05/477744205.db2.gz NRMGJVQJEOKPGW-UHFFFAOYSA-N 0 0 329.404 2.996 50 0 EFAARN CCCCCc1nnc(NC(=O)c2nn(C)c(C)c2Cl)s1 ZINC000421448032 478091565 /nfs/dbraw/zinc/09/15/65/478091565.db2.gz GLTBEJFZGWKMLT-UHFFFAOYSA-N 0 0 327.841 3.218 50 0 EFAARN CCn1ccnc1CN(C)C(=O)NCCSCc1ccccc1 ZINC000534578187 478159190 /nfs/dbraw/zinc/15/91/90/478159190.db2.gz RPYOJAFTKKWRSW-UHFFFAOYSA-N 0 0 332.473 2.978 50 0 EFAARN CCc1ocnc1C(=O)NCCc1csc(-c2ccncc2)n1 ZINC000534579677 478159208 /nfs/dbraw/zinc/15/92/08/478159208.db2.gz BRDUVKWWZKBCID-UHFFFAOYSA-N 0 0 328.397 2.728 50 0 EFAARN Cc1cccnc1CC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000534587725 478160502 /nfs/dbraw/zinc/16/05/02/478160502.db2.gz DSNQOEWXKGMPKG-CQSZACIVSA-N 0 0 326.396 2.971 50 0 EFAARN Cc1nn(C)cc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 ZINC000534591822 478160573 /nfs/dbraw/zinc/16/05/73/478160573.db2.gz SSRXRPQJPXEZTG-HNNXBMFYSA-N 0 0 327.428 2.942 50 0 EFAARN C[C@@H](C(N)=O)n1cc(-c2cccc(C(=O)N3CCCCCC3)c2)cn1 ZINC000534636933 478164209 /nfs/dbraw/zinc/16/42/09/478164209.db2.gz AOLGSMAVWLHJCH-AWEZNQCLSA-N 0 0 340.427 2.613 50 0 EFAARN CCOCCN(C)C(=O)N[C@H](C)c1cnn(-c2ccccc2F)c1 ZINC000534647943 478165469 /nfs/dbraw/zinc/16/54/69/478165469.db2.gz JSFQYHAXADSZTH-CYBMUJFWSA-N 0 0 334.395 2.750 50 0 EFAARN CCCn1cc(CNC(=O)N(C)Cc2nc3cc(F)ccc3[nH]2)cn1 ZINC000534645378 478165525 /nfs/dbraw/zinc/16/55/25/478165525.db2.gz JDQJLQAQGYHGOC-UHFFFAOYSA-N 0 0 344.394 2.650 50 0 EFAARN COC[C@H](NC(=O)N(C)Cc1cccc(SC)c1)c1ccnn1C ZINC000534647919 478165772 /nfs/dbraw/zinc/16/57/72/478165772.db2.gz OXJAJTLTMFGIAF-HNNXBMFYSA-N 0 0 348.472 2.671 50 0 EFAARN O=C(CN1CCCC1=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000534652313 478166260 /nfs/dbraw/zinc/16/62/60/478166260.db2.gz XSFRAFFJRZVKPL-GOSISDBHSA-N 0 0 343.814 2.563 50 0 EFAARN O=C(NCc1csc(-c2cnccn2)n1)c1cccn1C1CC1 ZINC000534663348 478167205 /nfs/dbraw/zinc/16/72/05/478167205.db2.gz MTSPNJWTHPBYMJ-UHFFFAOYSA-N 0 0 325.397 2.667 50 0 EFAARN O=C(NCCSC1CCCCC1)NC[C@@H](O)c1cccc(O)c1 ZINC000534659734 478167683 /nfs/dbraw/zinc/16/76/83/478167683.db2.gz JCQXJYSDUOQXCX-MRXNPFEDSA-N 0 0 338.473 2.791 50 0 EFAARN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(=O)n(C)c1 ZINC000534665424 478168265 /nfs/dbraw/zinc/16/82/65/478168265.db2.gz DSBAYIAZNCEDLB-OAHLLOKOSA-N 0 0 326.396 2.726 50 0 EFAARN CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000534669115 478168835 /nfs/dbraw/zinc/16/88/35/478168835.db2.gz KVHVBJUJUFNGBP-INIZCTEOSA-N 0 0 330.359 2.713 50 0 EFAARN COCC1(CNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)CCCC1 ZINC000534666990 478169036 /nfs/dbraw/zinc/16/90/36/478169036.db2.gz DZBULLBGHBFVFO-INIZCTEOSA-N 0 0 334.464 2.512 50 0 EFAARN CC(C)c1ccc(CCCNC(=O)N2CCC[C@@](O)(CO)CC2)cc1 ZINC000534673816 478169093 /nfs/dbraw/zinc/16/90/93/478169093.db2.gz OIMNZMNGADBQDX-FQEVSTJZSA-N 0 0 348.487 2.662 50 0 EFAARN CC(C)c1cnc(-c2cccc(C(=O)NCCc3c[nH]cn3)c2)nc1 ZINC000534675246 478169114 /nfs/dbraw/zinc/16/91/14/478169114.db2.gz ZRRJMOCQWKNFKD-UHFFFAOYSA-N 0 0 335.411 2.963 50 0 EFAARN Cc1cc2c(c(=O)n1C)[C@@H](C1=Cc3ccccc3O[C@H]1C)CC(=O)O2 ZINC000524730342 478388965 /nfs/dbraw/zinc/38/89/65/478388965.db2.gz GBUMOCNAICKFNH-SWLSCSKDSA-N 0 0 337.375 2.951 50 0 biogenic EFAARN COc1cc2c(cc1OC)[C@@H](NC(=O)c1cnn(C(C)C)c1)CC2 ZINC000524732732 478389256 /nfs/dbraw/zinc/38/92/56/478389256.db2.gz XVJKCBZGDXGMDO-HNNXBMFYSA-N 0 0 329.400 2.899 50 0 EFAARN O=C(Nc1cccc(Cl)c1)c1ncn(C[C@H](O)c2ccccc2)n1 ZINC000583649623 478904863 /nfs/dbraw/zinc/90/48/63/478904863.db2.gz QJFAUXCUXOSDNN-HNNXBMFYSA-N 0 0 342.786 2.917 50 0 EFAARN Cc1ccc(NC(=O)c2ncn(C[C@H](O)c3ccccc3)n2)c(C)c1 ZINC000583648962 478905445 /nfs/dbraw/zinc/90/54/45/478905445.db2.gz GDWOLELYFINPHM-KRWDZBQOSA-N 0 0 336.395 2.881 50 0 EFAARN Cc1cc(CNC(=O)N(C)CC[C@@H](O)c2ccccc2)cnc1C ZINC000584886181 479271135 /nfs/dbraw/zinc/27/11/35/479271135.db2.gz FVAJACXNTUMLFC-GOSISDBHSA-N 0 0 327.428 2.964 50 0 EFAARN Cc1nc2ccc(C(=O)NC[C@@H]3Cc4ccccc4CN3C)cc2o1 ZINC000584885938 479271503 /nfs/dbraw/zinc/27/15/03/479271503.db2.gz OKIZGVVOCIHBMU-KRWDZBQOSA-N 0 0 335.407 2.923 50 0 EFAARN Cc1noc([C@@H]2CCCN2C(=O)NCc2ccc3c(c2)CCCO3)n1 ZINC000584889691 479272269 /nfs/dbraw/zinc/27/22/69/479272269.db2.gz FCSHCLXXZOHSOX-HNNXBMFYSA-N 0 0 342.399 2.750 50 0 EFAARN CC(C)c1noc([C@H](C)NC(=O)CCC(=O)N2CCCCCC2)n1 ZINC000584891683 479272677 /nfs/dbraw/zinc/27/26/77/479272677.db2.gz XEDSAVCPSJYQKB-ZDUSSCGKSA-N 0 0 336.436 2.553 50 0 EFAARN CCc1cccc(OCCN(C)C(=O)NCCc2nnc(C)s2)c1 ZINC000584889399 479273264 /nfs/dbraw/zinc/27/32/64/479273264.db2.gz BJPSKNWMGVZPPX-UHFFFAOYSA-N 0 0 348.472 2.672 50 0 EFAARN COc1cccc2c1ncn(Cc1c(C)nn(C(C)C)c1C)c2=O ZINC000584888873 479273321 /nfs/dbraw/zinc/27/33/21/479273321.db2.gz QSYDYQUTDJXJSF-UHFFFAOYSA-N 0 0 326.400 2.848 50 0 EFAARN Cc1c[nH]c(CN(C)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000584889896 479273412 /nfs/dbraw/zinc/27/34/12/479273412.db2.gz WWWGVGGWWWHLRS-CQSZACIVSA-N 0 0 345.422 2.525 50 0 EFAARN CC(C)n1ncnc1-c1ccc(C(=O)NCCc2nccs2)cc1 ZINC000584893360 479273825 /nfs/dbraw/zinc/27/38/25/479273825.db2.gz NEKAIPWTLMJCOY-UHFFFAOYSA-N 0 0 341.440 2.955 50 0 EFAARN O=C(NCCCSCc1ccco1)NCC1(O)CCCCC1 ZINC000584895282 479273963 /nfs/dbraw/zinc/27/39/63/479273963.db2.gz WXQLHFSWQPDBIM-UHFFFAOYSA-N 0 0 326.462 2.897 50 0 EFAARN Cc1cccc2nc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)cn21 ZINC000584894018 479274063 /nfs/dbraw/zinc/27/40/63/479274063.db2.gz VLBQJDPZGKGSNQ-OAHLLOKOSA-N 0 0 341.411 2.525 50 0 EFAARN CCCc1cc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)[nH]n1 ZINC000584894568 479274323 /nfs/dbraw/zinc/27/43/23/479274323.db2.gz CSTNRIHFIPQZDR-UHFFFAOYSA-N 0 0 333.395 2.975 50 0 EFAARN COc1cccc(OC2CN(C(=O)NCc3cnc(C)c(C)c3)C2)c1 ZINC000584893378 479274627 /nfs/dbraw/zinc/27/46/27/479274627.db2.gz OJWNBGKJUPYLAG-UHFFFAOYSA-N 0 0 341.411 2.680 50 0 EFAARN Cc1cccc2nc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)cn21 ZINC000584894017 479274689 /nfs/dbraw/zinc/27/46/89/479274689.db2.gz VLBQJDPZGKGSNQ-HNNXBMFYSA-N 0 0 341.411 2.525 50 0 EFAARN COc1ccc(Cc2nc(C3CCC3)n(C[C@H]3COCCO3)n2)cc1 ZINC000584899003 479275091 /nfs/dbraw/zinc/27/50/91/479275091.db2.gz GBADMASCCXJJFG-KRWDZBQOSA-N 0 0 343.427 2.560 50 0 EFAARN COc1ccc(Cc2nc(C3CCC3)n(C[C@@H]3COCCO3)n2)cc1 ZINC000584899004 479275438 /nfs/dbraw/zinc/27/54/38/479275438.db2.gz GBADMASCCXJJFG-QGZVFWFLSA-N 0 0 343.427 2.560 50 0 EFAARN Cc1nc(N)sc1CC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000584898283 479275626 /nfs/dbraw/zinc/27/56/26/479275626.db2.gz UUCIWAHFXHOCQK-UHFFFAOYSA-N 0 0 349.431 2.785 50 0 EFAARN Cc1cc(CN(C)C(=O)NCc2ccc3c(c2)nc(C)n3C)no1 ZINC000584899162 479275654 /nfs/dbraw/zinc/27/56/54/479275654.db2.gz ODGOVKZMNDXIKY-UHFFFAOYSA-N 0 0 327.388 2.520 50 0 EFAARN C[C@H](NC(=O)N1CCC(CCCc2ccccc2)CC1)C(=O)N(C)C ZINC000584898793 479275740 /nfs/dbraw/zinc/27/57/40/479275740.db2.gz JUVPQZYGPYMANE-INIZCTEOSA-N 0 0 345.487 2.908 50 0 EFAARN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)NC[C@H]1CC[C@H](CO)CC1 ZINC000584899371 479275764 /nfs/dbraw/zinc/27/57/64/479275764.db2.gz XPJWFMHTZDRGGZ-JOCQHMNTSA-N 0 0 348.422 2.642 50 0 EFAARN CCc1nccn1CCC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000584898810 479275939 /nfs/dbraw/zinc/27/59/39/479275939.db2.gz XMSDNJOUFLNENV-OAHLLOKOSA-N 0 0 337.427 2.899 50 0 EFAARN Cc1nn(CCNC(=O)N2CC[C@H](Oc3ccccc3)C2)c(C)c1C ZINC000584900572 479276875 /nfs/dbraw/zinc/27/68/75/479276875.db2.gz PZNJYTBGZMCFSP-SFHVURJKSA-N 0 0 342.443 2.671 50 0 EFAARN CCc1nc(C)sc1CNC(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000584903271 479276892 /nfs/dbraw/zinc/27/68/92/479276892.db2.gz TWCVXDWPRRHWIJ-LBPRGKRZSA-N 0 0 325.478 2.706 50 0 EFAARN CO[C@H]1CCN(C(=O)NCc2cc(-c3ccccc3Cl)on2)C1 ZINC000584900517 479277189 /nfs/dbraw/zinc/27/71/89/479277189.db2.gz GVNNCRCYXLMQAC-LBPRGKRZSA-N 0 0 335.791 2.925 50 0 EFAARN CCc1ocnc1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 ZINC000584904151 479277780 /nfs/dbraw/zinc/27/77/80/479277780.db2.gz GYUJJMNBFLMMFY-OAHLLOKOSA-N 0 0 328.416 2.589 50 0 EFAARN O=C(c1cc2n(n1)CCCC2)N1CCc2[nH]cnc2[C@H]1c1ccccc1 ZINC000585134104 479295337 /nfs/dbraw/zinc/29/53/37/479295337.db2.gz DRWZQZUFHPTCMR-LJQANCHMSA-N 0 0 347.422 2.730 50 0 EFAARN Cn1cc(-c2cnn(CC3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1 ZINC000585133970 479295841 /nfs/dbraw/zinc/29/58/41/479295841.db2.gz NNWWPQTXVHZWGK-UHFFFAOYSA-N 0 0 345.447 2.931 50 0 EFAARN O=C(Cc1cc2ccccc2s1)OC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000585136180 479296216 /nfs/dbraw/zinc/29/62/16/479296216.db2.gz UXGFSAMTTBBAPV-GFCCVEGCSA-N 0 0 329.421 2.998 50 0 EFAARN CC(C)(C)OC(=O)Nc1ccsc1CN1CCCN(C=O)CC1 ZINC000585136298 479296536 /nfs/dbraw/zinc/29/65/36/479296536.db2.gz ABWLSFROTRBNQE-UHFFFAOYSA-N 0 0 339.461 2.759 50 0 EFAARN O=C(Cc1cc2ccccc2s1)OC[C@H]1CC(=O)N(C2CC2)C1 ZINC000585136181 479296868 /nfs/dbraw/zinc/29/68/68/479296868.db2.gz UXGFSAMTTBBAPV-LBPRGKRZSA-N 0 0 329.421 2.998 50 0 EFAARN CCOC(=O)c1c(C)oc(=O)c2c1cc(-c1ccccc1)oc2=O ZINC000585145680 479299991 /nfs/dbraw/zinc/29/99/91/479299991.db2.gz XTSQVXLKESPPCV-UHFFFAOYSA-N 0 0 326.304 2.898 50 0 EFAARN O=C(c1nc(-c2cccs2)cs1)N1CC(Nc2ccncn2)C1 ZINC000585149044 479300351 /nfs/dbraw/zinc/30/03/51/479300351.db2.gz SKMJQGZGBDPYFG-UHFFFAOYSA-N 0 0 343.437 2.598 50 0 EFAARN O=C(NCc1cncc(N2CCCC2=O)c1)Nc1c(F)cccc1F ZINC000585150286 479300815 /nfs/dbraw/zinc/30/08/15/479300815.db2.gz KNJFLGICYFLIIE-UHFFFAOYSA-N 0 0 346.337 2.808 50 0 EFAARN O=S(=O)(c1ccccc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585148763 479301058 /nfs/dbraw/zinc/30/10/58/479301058.db2.gz DRWXTCOFKDKXJW-MRXNPFEDSA-N 0 0 329.421 2.800 50 0 EFAARN COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC000585147364 479301124 /nfs/dbraw/zinc/30/11/24/479301124.db2.gz TYPDOFQMTGHDSI-PYUISTEWSA-N 0 0 339.395 2.568 50 0 EFAARN C[C@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000585152437 479302204 /nfs/dbraw/zinc/30/22/04/479302204.db2.gz FAFHDXGQRNHOPU-FQEVSTJZSA-N 0 0 344.374 2.785 50 0 EFAARN Cn1cc(-c2cncc(CNC(=O)Cc3ccccc3Cl)c2)cn1 ZINC000575414498 479441974 /nfs/dbraw/zinc/44/19/74/479441974.db2.gz LUHJPYOZWCZGLQ-UHFFFAOYSA-N 0 0 340.814 2.994 50 0 EFAARN CCOC(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575414546 479442325 /nfs/dbraw/zinc/44/23/25/479442325.db2.gz BBKPJDCDNKEQPL-ZDUSSCGKSA-N 0 0 331.821 2.658 50 0 EFAARN Cn1cc(-c2cncc(CNC(=O)c3c(F)cccc3F)c2)cn1 ZINC000575414705 479442631 /nfs/dbraw/zinc/44/26/31/479442631.db2.gz NLQLSPKJCMMLLU-UHFFFAOYSA-N 0 0 328.322 2.690 50 0 EFAARN CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@@H](c3nccs3)C2)cn1 ZINC000575606753 479450196 /nfs/dbraw/zinc/45/01/96/479450196.db2.gz RMCDBOKHZMWFBB-LYKUJDHUSA-N 0 0 342.424 2.526 50 0 EFAARN COc1ccccc1OCC(=O)NCC[C@H](CCO)c1cccs1 ZINC000575606259 479450443 /nfs/dbraw/zinc/45/04/43/479450443.db2.gz FSVJMUFVQSJZPX-CQSZACIVSA-N 0 0 349.452 2.808 50 0 EFAARN COC[C@](O)(CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1 ZINC000575606862 479450794 /nfs/dbraw/zinc/45/07/94/479450794.db2.gz KDXMBLBZWIALAI-LJQANCHMSA-N 0 0 328.412 2.959 50 0 EFAARN Cc1nccc(O[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC000575608074 479451927 /nfs/dbraw/zinc/45/19/27/479451927.db2.gz DJUVQDVDXNMIQE-MRXNPFEDSA-N 0 0 327.384 2.965 50 0 EFAARN COC[C@@](C)(CNC(=O)COc1ccc(Cl)cc1Cl)OC ZINC000575610901 479452585 /nfs/dbraw/zinc/45/25/85/479452585.db2.gz BZVSKZCRQOTINE-CQSZACIVSA-N 0 0 336.215 2.540 50 0 EFAARN Cc1nnsc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 ZINC000575609243 479452669 /nfs/dbraw/zinc/45/26/69/479452669.db2.gz ABNDOHGBUZBOPT-JTQLQIEISA-N 0 0 335.410 2.631 50 0 EFAARN Cc1cc(O[C@H]2CCCN(C(=O)COc3ccccc3)C2)nc(C)n1 ZINC000575610678 479453077 /nfs/dbraw/zinc/45/30/77/479453077.db2.gz XHNDHSWCDAVDKF-KRWDZBQOSA-N 0 0 341.411 2.542 50 0 EFAARN Cc1cc2c(cc1NC(=O)c1cccc(F)c1)N(C)S(=O)(=O)N2C ZINC000575611600 479453784 /nfs/dbraw/zinc/45/37/84/479453784.db2.gz GPLDSLDQSHPTOC-UHFFFAOYSA-N 0 0 349.387 2.517 50 0 EFAARN O=C(NCCn1cc(-c2ccncc2)cn1)c1ccc(F)c(F)c1 ZINC000575613053 479454066 /nfs/dbraw/zinc/45/40/66/479454066.db2.gz UEGPUOHNTQSWSX-UHFFFAOYSA-N 0 0 328.322 2.653 50 0 EFAARN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC000575611946 479454318 /nfs/dbraw/zinc/45/43/18/479454318.db2.gz HAXPRMSWZABGLR-SFHVURJKSA-N 0 0 339.395 2.724 50 0 EFAARN COc1ccccc1NC(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575613122 479454394 /nfs/dbraw/zinc/45/43/94/479454394.db2.gz PBAPHFTUTWKKCI-GFCCVEGCSA-N 0 0 348.790 2.824 50 0 EFAARN O=C(NCCc1ccccc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575613107 479454494 /nfs/dbraw/zinc/45/44/94/479454494.db2.gz OYAHDOODPUJQIN-OAHLLOKOSA-N 0 0 346.818 2.535 50 0 EFAARN Cc1ccccc1OCC(=O)NCCn1cc(-c2ccoc2)cn1 ZINC000575614916 479454696 /nfs/dbraw/zinc/45/46/96/479454696.db2.gz LERNMGBFPNEYGW-UHFFFAOYSA-N 0 0 325.368 2.647 50 0 EFAARN O=C(NC[C@@H](c1ccsc1)n1cccn1)c1cc(C2CC2)on1 ZINC000575614613 479455403 /nfs/dbraw/zinc/45/54/03/479455403.db2.gz YZDQVSSKWQLAGE-AWEZNQCLSA-N 0 0 328.397 2.829 50 0 EFAARN O=C(NCCn1cc(-c2ccoc2)cn1)NCc1ccc(F)cc1 ZINC000575614734 479455448 /nfs/dbraw/zinc/45/54/48/479455448.db2.gz DHYFUSZTBDDHTG-UHFFFAOYSA-N 0 0 328.347 2.782 50 0 EFAARN O=C(NC[C@@H](c1ccco1)n1cccn1)c1cc2ccccc2oc1=O ZINC000575614594 479455531 /nfs/dbraw/zinc/45/55/31/479455531.db2.gz XXHALBKEDLWKAQ-HNNXBMFYSA-N 0 0 349.346 2.602 50 0 EFAARN O=C(CSc1ccc(F)cc1)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575614062 479455573 /nfs/dbraw/zinc/45/55/73/479455573.db2.gz VWFBKBLIIIZKQI-AWEZNQCLSA-N 0 0 347.415 2.778 50 0 EFAARN O=C(NC[C@@H](c1cccs1)n1cccn1)c1ccc2c(c1)OCO2 ZINC000575614476 479455720 /nfs/dbraw/zinc/45/57/20/479455720.db2.gz ULHGMWUCFRVXEG-ZDUSSCGKSA-N 0 0 341.392 2.693 50 0 EFAARN O=C(NCCn1cc(-c2ccco2)cn1)NCc1ccc(F)cc1 ZINC000575616313 479455877 /nfs/dbraw/zinc/45/58/77/479455877.db2.gz ZACIDWQDSLXRHR-UHFFFAOYSA-N 0 0 328.347 2.782 50 0 EFAARN O=C(/C=C/c1ccccc1Cl)NCc1nc(C2CCOCC2)no1 ZINC000575616374 479456125 /nfs/dbraw/zinc/45/61/25/479456125.db2.gz JBEYXGKDFDLUHA-AATRIKPKSA-N 0 0 347.802 2.947 50 0 EFAARN COC(=O)[C@H]1CC12CCN(S(=O)(=O)/C=C/c1ccc(C)cc1)CC2 ZINC000575615749 479456263 /nfs/dbraw/zinc/45/62/63/479456263.db2.gz HJSLFDFBGBVEGO-NYUWMOHMSA-N 0 0 349.452 2.571 50 0 EFAARN COc1ccc(Cl)cc1C(=O)NCc1cn(-c2cccs2)nn1 ZINC000575616876 479456454 /nfs/dbraw/zinc/45/64/54/479456454.db2.gz NXFIMLHZIQRXQK-UHFFFAOYSA-N 0 0 348.815 2.921 50 0 EFAARN O=C(NCc1nc(C2CCOCC2)no1)c1cc2ccccc2o1 ZINC000575616818 479456805 /nfs/dbraw/zinc/45/68/05/479456805.db2.gz KGCAUXOXVAJQPE-UHFFFAOYSA-N 0 0 327.340 2.640 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)NCc1cncc(-c2ccco2)c1 ZINC000575618131 479457262 /nfs/dbraw/zinc/45/72/62/479457262.db2.gz IWRIQTXJASOCAJ-UHFFFAOYSA-N 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COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1 ZINC000051356948 214091410 /nfs/dbraw/zinc/09/14/10/214091410.db2.gz QRKVMUDEJAGQMC-UHFFFAOYSA-N 0 0 327.336 2.577 50 0 EFAARN COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC000004731721 210262762 /nfs/dbraw/zinc/26/27/62/210262762.db2.gz OSHCGWBGJYVZAL-VHSXEESVSA-N 0 0 345.226 2.815 50 0 EFAARN Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)cnc1C ZINC000097655450 219044277 /nfs/dbraw/zinc/04/42/77/219044277.db2.gz GIVLAPRHPGPXMT-HNNXBMFYSA-N 0 0 343.452 2.795 50 0 EFAARN CCOc1ccc(N2C[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CC2=O)cc1 ZINC000004732134 210262320 /nfs/dbraw/zinc/26/23/20/210262320.db2.gz PPIZNSGJDXBZAA-OWCLPIDISA-N 0 0 344.455 2.943 50 0 EFAARN CCCO[C@H]1CCCN(C(=O)CN2C(=O)CCC3=C2CCCC3)C1 ZINC000020201774 212110677 /nfs/dbraw/zinc/11/06/77/212110677.db2.gz NJHNRDBIZFHNJJ-INIZCTEOSA-N 0 0 334.460 2.855 50 0 EFAARN O=C([C@H]1CC(=O)N(Cc2cccnc2)C1)N1CCC[C@@H]1c1ccccc1 ZINC000097657163 219045412 /nfs/dbraw/zinc/04/54/12/219045412.db2.gz 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/nfs/dbraw/zinc/21/91/95/214219195.db2.gz VOVKMMJPFBVCHZ-UHFFFAOYSA-N 0 0 336.395 2.904 50 0 EFAARN CCC[C@H](C)n1nccc1NC(=O)N1CCN(c2cccnc2)CC1 ZINC000097713620 219050474 /nfs/dbraw/zinc/05/04/74/219050474.db2.gz JBUUPZQNMDUEQZ-HNNXBMFYSA-N 0 0 342.447 2.993 50 0 EFAARN CCOC(=O)N1CCC(NC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000004702651 210253975 /nfs/dbraw/zinc/25/39/75/210253975.db2.gz IEEQXZUMWFSJNB-UHFFFAOYSA-N 0 0 329.400 2.827 50 0 EFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1ccc2ccccc21 ZINC000004702674 210253637 /nfs/dbraw/zinc/25/36/37/210253637.db2.gz FMTRVLFWKXAYCM-QGZVFWFLSA-N 0 0 336.391 2.542 50 0 EFAARN COc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2C2CCCCC2)cc1 ZINC000054253758 214227376 /nfs/dbraw/zinc/22/73/76/214227376.db2.gz YONKXPOZTJIJLL-QGZVFWFLSA-N 0 0 346.427 2.584 50 0 EFAARN CCN1CCOC(=O)[C@H]1CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000054253706 214227600 /nfs/dbraw/zinc/22/76/00/214227600.db2.gz UQVQRCRSWSMIIV-GFCCVEGCSA-N 0 0 331.199 2.569 50 0 EFAARN O=c1c2ccc3c(c2occ1-c1ccccc1)CN(CCCO)CO3 ZINC000054313484 214230374 /nfs/dbraw/zinc/23/03/74/214230374.db2.gz ADLCOIHYZYAEGO-UHFFFAOYSA-N 0 0 337.375 2.994 50 0 biogenic EFAARN O=C1N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1F ZINC000004699375 210252577 /nfs/dbraw/zinc/25/25/77/210252577.db2.gz XCZYSLUQIFWBJS-VGOFMYFVSA-N 0 0 340.310 2.647 50 0 EFAARN Cc1cc(C(=O)NC[C@H](O)c2cccs2)cc2sc(N)nc21 ZINC000097732719 219052244 /nfs/dbraw/zinc/05/22/44/219052244.db2.gz GXUKCCMAHRQVDD-JTQLQIEISA-N 0 0 333.438 2.712 50 0 EFAARN O=C(NCCc1ccccc1)C(=O)Nc1ccccc1Br ZINC000004698934 210251796 /nfs/dbraw/zinc/25/17/96/210251796.db2.gz MPEWGPNEEXIOGN-UHFFFAOYSA-N 0 0 347.212 2.747 50 0 EFAARN COc1cc(OC)c(-c2nc3c(C4CC4)[nH]n(C)c-3n2)cc1OC ZINC000055042700 214266603 /nfs/dbraw/zinc/26/66/03/214266603.db2.gz VEDCHSHPMGZVIU-UHFFFAOYSA-N 0 0 328.372 2.867 50 0 EFAARN CC[C@H](CO)N(Cc1ccco1)C(=O)c1cc2cccnc2nc1C ZINC000055042074 214267178 /nfs/dbraw/zinc/26/71/78/214267178.db2.gz AUXJYESPJJICNI-OAHLLOKOSA-N 0 0 339.395 2.945 50 0 EFAARN CCc1nnc(CN(C(=O)c2cccc3nccnc32)C(C)C)o1 ZINC000097745231 219053253 /nfs/dbraw/zinc/05/32/53/219053253.db2.gz KYFSWYAIGUVBRT-UHFFFAOYSA-N 0 0 325.372 2.626 50 0 EFAARN CC[N@H+](C/C=C/c1ccccc1)Cc1cnc(NCC(=O)[O-])nc1 ZINC000055071386 214268935 /nfs/dbraw/zinc/26/89/35/214268935.db2.gz BTNLKJJKUPPVAY-RMKNXTFCSA-N 0 0 326.400 2.508 50 0 EFAARN O=C(c1ccccc1)N1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000055061216 214269557 /nfs/dbraw/zinc/26/95/57/214269557.db2.gz IDAQSDUUUGUFDV-UHFFFAOYSA-N 0 0 346.434 2.830 50 0 EFAARN CCCc1nc(CN(CC)C(=O)[C@@H](C)n2cnc3ccccc32)no1 ZINC000055073317 214269649 /nfs/dbraw/zinc/26/96/49/214269649.db2.gz ZIEFQZSRXXHXNI-CYBMUJFWSA-N 0 0 341.415 2.982 50 0 EFAARN CC(C)[C@H](C)n1nccc1NC(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000055089747 214272162 /nfs/dbraw/zinc/27/21/62/214272162.db2.gz RXAWYOLMYOUVQU-LBPRGKRZSA-N 0 0 339.403 2.543 50 0 EFAARN COc1ccc(C)cc1[C@H](C(=O)[O-])[N@H+](C)CCCn1nc(C)cc1C ZINC000055099166 214272387 /nfs/dbraw/zinc/27/23/87/214272387.db2.gz LKYGASRPIYIGBE-GOSISDBHSA-N 0 0 345.443 2.965 50 0 EFAARN CCC(=O)c1ccc(OCC(=O)N[C@@H](CC)c2ccnn2C)cc1 ZINC000055100131 214272938 /nfs/dbraw/zinc/27/29/38/214272938.db2.gz CVIWHXDSRUHZNH-HNNXBMFYSA-N 0 0 329.400 2.659 50 0 EFAARN CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCc1c(C)n[nH]c1C ZINC000055100457 214272959 /nfs/dbraw/zinc/27/29/59/214272959.db2.gz MTUUEGYHGRQUPJ-QGZVFWFLSA-N 0 0 330.432 2.585 50 0 EFAARN CCc1ccc(CN(C)C(=O)CC(=O)Nc2ccccc2C)nc1 ZINC000055107902 214273139 /nfs/dbraw/zinc/27/31/39/214273139.db2.gz QPACPYLWUYMMLK-UHFFFAOYSA-N 0 0 325.412 2.940 50 0 EFAARN Brc1ccc(-n2nnnc2/C=C/N2CCCCC2)cc1 ZINC000055116612 214274274 /nfs/dbraw/zinc/27/42/74/214274274.db2.gz ZDJDXWZEOFOCEA-DHZHZOJOSA-N 0 0 334.221 2.881 50 0 EFAARN CCOc1ccc(C(=O)CCC(=O)NCc2cc(C)n[nH]2)cc1C ZINC000055108019 214274305 /nfs/dbraw/zinc/27/43/05/214274305.db2.gz NNRWQBVWKKUARN-UHFFFAOYSA-N 0 0 329.400 2.705 50 0 EFAARN CCCc1nc(CN(CC)C(=O)c2cc(=O)c3ccccc3[nH]2)no1 ZINC000055108231 214274654 /nfs/dbraw/zinc/27/46/54/214274654.db2.gz DBAXCMQWQGLMQS-UHFFFAOYSA-N 0 0 340.383 2.526 50 0 EFAARN Cc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)cc1 ZINC000055119155 214276084 /nfs/dbraw/zinc/27/60/84/214276084.db2.gz AECLDOLSXLWHKL-UHFFFAOYSA-N 0 0 349.500 2.883 50 0 EFAARN CSCc1nc(CNC(=O)c2cccc3nccnc32)cs1 ZINC000097757914 219054544 /nfs/dbraw/zinc/05/45/44/219054544.db2.gz ZRDQNPVYUBMPOD-UHFFFAOYSA-N 0 0 330.438 2.879 50 0 EFAARN Cc1ccccc1Cc1nnc(NC(=O)CC[C@H]2CCOC2=O)s1 ZINC000055167290 214281491 /nfs/dbraw/zinc/28/14/91/214281491.db2.gz HLSAHUNQIWYREG-LBPRGKRZSA-N 0 0 345.424 2.719 50 0 EFAARN COc1ccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)cc1O ZINC000055175301 214282479 /nfs/dbraw/zinc/28/24/79/214282479.db2.gz MJBHSHSRMSKBHC-SDQBBNPISA-N 0 0 327.336 2.911 50 0 biogenic,in-vitro EFAARN CCCC(=O)Nc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1OC ZINC000055182651 214284288 /nfs/dbraw/zinc/28/42/88/214284288.db2.gz LNIPATSEDUHVTK-UHFFFAOYSA-N 0 0 342.399 2.898 50 0 EFAARN CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1cn2c(n1)SCC2 ZINC000055183231 214285407 /nfs/dbraw/zinc/28/54/07/214285407.db2.gz XDPXESUXHCIQII-HNNXBMFYSA-N 0 0 346.456 2.504 50 0 EFAARN COc1ccccc1OC1CN(c2nccc(-c3cccnc3)n2)C1 ZINC000097758042 219054902 /nfs/dbraw/zinc/05/49/02/219054902.db2.gz JJAJHOQQACUNIQ-UHFFFAOYSA-N 0 0 334.379 2.815 50 0 EFAARN Cc1ccccc1Cc1nnc(NC(=O)[C@H](C)N2CCCC2)s1 ZINC000055255669 214296087 /nfs/dbraw/zinc/29/60/87/214296087.db2.gz FVDPYKHVJKVMGK-ZDUSSCGKSA-N 0 0 330.457 2.860 50 0 EFAARN COC(=O)[C@H](CCSC)NC(=O)CCn1c(C)cc2ccccc21 ZINC000055255813 214296146 /nfs/dbraw/zinc/29/61/46/214296146.db2.gz ZSGZXDQYLAJLBN-HNNXBMFYSA-N 0 0 348.468 2.751 50 0 EFAARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCC(=O)NC1CCCC1 ZINC000055255369 214296430 /nfs/dbraw/zinc/29/64/30/214296430.db2.gz KLPLOWFDQJDLTB-UHFFFAOYSA-N 0 0 334.464 2.505 50 0 EFAARN CC[C@@H](C(=O)NCc1nnc(C)o1)n1cc(C(C)=O)c2ccccc21 ZINC000055255495 214296879 /nfs/dbraw/zinc/29/68/79/214296879.db2.gz COYYNEILNWFFGB-HNNXBMFYSA-N 0 0 340.383 2.803 50 0 EFAARN CCCC(=O)Nc1cccc(C(=O)NCCNc2cccnc2)c1 ZINC000055225119 214291418 /nfs/dbraw/zinc/29/14/18/214291418.db2.gz ZGTVOLCZZWOBLA-UHFFFAOYSA-N 0 0 326.400 2.662 50 0 EFAARN CC[C@@H](C(=O)N1CCC(Cc2nncn2C)CC1)c1ccccc1 ZINC000055243200 214293462 /nfs/dbraw/zinc/29/34/62/214293462.db2.gz HBMAIYCVZVXZAO-QGZVFWFLSA-N 0 0 326.444 2.790 50 0 EFAARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1cnc2ccccn2c1=O ZINC000055243514 214293571 /nfs/dbraw/zinc/29/35/71/214293571.db2.gz KGQICBOFRYSKQC-AWEZNQCLSA-N 0 0 336.395 2.530 50 0 EFAARN CCCCN(Cc1sccc1C)C(=O)CSc1nc(N)n[nH]1 ZINC000055244952 214294132 /nfs/dbraw/zinc/29/41/32/214294132.db2.gz BZYRBJZBDCBXBM-UHFFFAOYSA-N 0 0 339.490 2.678 50 0 EFAARN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)NCCc1nnc(N)s1 ZINC000055326523 214307824 /nfs/dbraw/zinc/30/78/24/214307824.db2.gz BVJSBWLHVPQUIQ-UHFFFAOYSA-N 0 0 341.440 2.566 50 0 EFAARN Cc1c(NC(=O)COc2cccnc2)cccc1C(=O)NC(C)(C)C ZINC000055325869 214307874 /nfs/dbraw/zinc/30/78/74/214307874.db2.gz JKNYZHVTEYVUNN-UHFFFAOYSA-N 0 0 341.411 2.936 50 0 EFAARN CCOC[C@@H](O)CNC(=O)c1ccc(CNc2ccc(C)cc2)cc1 ZINC000055271877 214299707 /nfs/dbraw/zinc/29/97/07/214299707.db2.gz MGPWMYVUONBRJF-IBGZPJMESA-N 0 0 342.439 2.734 50 0 EFAARN Cc1nc2c(ncnc2N(Cc2ccccn2)C[C@H]2CCCO2)o1 ZINC000055284545 214301421 /nfs/dbraw/zinc/30/14/21/214301421.db2.gz JMRIRKQPXSCJFZ-CQSZACIVSA-N 0 0 325.372 2.507 50 0 EFAARN COc1ccccc1CN(C(=O)CNC(=O)c1ccccc1)C1CC1 ZINC000055284201 214301527 /nfs/dbraw/zinc/30/15/27/214301527.db2.gz VWGGCLBHYXUKGR-UHFFFAOYSA-N 0 0 338.407 2.616 50 0 EFAARN CC(C)OC(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1Cl ZINC000055284943 214301559 /nfs/dbraw/zinc/30/15/59/214301559.db2.gz YIYPKNIZQHMKSO-UHFFFAOYSA-N 0 0 335.747 2.653 50 0 EFAARN CCCc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)[nH]n1 ZINC000055283215 214301765 /nfs/dbraw/zinc/30/17/65/214301765.db2.gz QMRWSQKFMNVDLW-MRXNPFEDSA-N 0 0 328.416 2.579 50 0 EFAARN O=C(/C(=C\c1ccc(F)cc1)n1ccccc1=O)N1CCCCC1 ZINC000004690860 210249086 /nfs/dbraw/zinc/24/90/86/210249086.db2.gz LTAFABRQAYYTPW-SAPNQHFASA-N 0 0 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O=C([C@@H]1CCOC1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067909019 215248238 /nfs/dbraw/zinc/24/82/38/215248238.db2.gz KBRPDJYTFUJLGY-QGZVFWFLSA-N 0 0 339.439 2.743 50 0 EFAARN COc1ccc(-c2nc(CN3CCC(O)CC3)c(C)o2)c(OC)c1C ZINC000067909876 215248781 /nfs/dbraw/zinc/24/87/81/215248781.db2.gz ISMBCFIXIDLXQZ-UHFFFAOYSA-N 0 0 346.427 2.932 50 0 EFAARN CC(C)O[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)C[C@@H]1O ZINC000067921091 215251094 /nfs/dbraw/zinc/25/10/94/215251094.db2.gz LDXYJNREQIPWQV-ROUUACIJSA-N 0 0 339.439 2.607 50 0 EFAARN COc1cccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)c1 ZINC000002810757 209920295 /nfs/dbraw/zinc/92/02/95/209920295.db2.gz UQGFARLNUMILDO-UHFFFAOYSA-N 0 0 347.411 2.650 50 0 EFAARN CCCc1nc(C)cc(N2CCC(O)(c3ccc(C)cn3)CC2)n1 ZINC000067935282 215254296 /nfs/dbraw/zinc/25/42/96/215254296.db2.gz XLVLROWJVXEJPB-UHFFFAOYSA-N 0 0 326.444 2.929 50 0 EFAARN Nc1ccnc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)n1 ZINC000067935144 215254770 /nfs/dbraw/zinc/25/47/70/215254770.db2.gz XZUHMJMFNPPUFC-ZDUSSCGKSA-N 0 0 338.390 2.972 50 0 EFAARN Cc1nc(CN(C)Cc2ccc(O[C@@]34CC[N@H+](C3)CCC4)cc2)no1 ZINC000067966092 215262648 /nfs/dbraw/zinc/26/26/48/215262648.db2.gz DFUKQQOXIXFHCN-IBGZPJMESA-N 0 0 342.443 2.627 50 0 EFAARN O=C(c1ccccn1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067966022 215263082 /nfs/dbraw/zinc/26/30/82/215263082.db2.gz VIAROZCOOCOHDL-UHFFFAOYSA-N 0 0 347.374 2.884 50 0 EFAARN Cc1ccsc1-c1cn([C@H](C(=O)N(C)C)c2ccccc2)nn1 ZINC000067974366 215264112 /nfs/dbraw/zinc/26/41/12/215264112.db2.gz JOKYVOIVXVHOAW-HNNXBMFYSA-N 0 0 326.425 2.993 50 0 EFAARN O[C@@H]1CN(Cc2ccc(Cl)nc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947617 215256738 /nfs/dbraw/zinc/25/67/38/215256738.db2.gz HNDSWVRTMIBZOB-LSDHHAIUSA-N 0 0 346.814 2.814 50 0 EFAARN CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)n1 ZINC000067954698 215259432 /nfs/dbraw/zinc/25/94/32/215259432.db2.gz YBOLJPHAZJIMPU-ZDUSSCGKSA-N 0 0 343.431 2.888 50 0 EFAARN CC1=C(C(=O)N(C)Cc2ccccc2C(F)(F)F)[C@H](C)NC(=O)N1 ZINC000067964710 215260380 /nfs/dbraw/zinc/26/03/80/215260380.db2.gz XCVDSVSYXQZNDF-VIFPVBQESA-N 0 0 341.333 2.639 50 0 EFAARN C[C@H](NC(=O)c1ccc2c(c1)nnn2C)c1ccccc1-n1cccn1 ZINC000067981688 215265247 /nfs/dbraw/zinc/26/52/47/215265247.db2.gz FFAILPIMFWFGAY-ZDUSSCGKSA-N 0 0 346.394 2.645 50 0 EFAARN Cc1cc(C[C@H](C)NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)[nH]n1 ZINC000067982025 215266224 /nfs/dbraw/zinc/26/62/24/215266224.db2.gz PZAFLAYRJHPEEM-VIFPVBQESA-N 0 0 331.807 2.538 50 0 EFAARN CN(Cc1nc2ccccc2n1C)C(=O)c1scc2c1OCCO2 ZINC000067982851 215266730 /nfs/dbraw/zinc/26/67/30/215266730.db2.gz CBVQKGOTOVYFMP-UHFFFAOYSA-N 0 0 343.408 2.678 50 0 EFAARN Cn1ncc(Br)c1C(=O)NCc1ccc2ncccc2c1 ZINC000002786219 209912618 /nfs/dbraw/zinc/91/26/18/209912618.db2.gz XZIUAAMJRRTRMM-UHFFFAOYSA-N 0 0 345.200 2.661 50 0 EFAARN Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1Cl ZINC000002785024 209912996 /nfs/dbraw/zinc/91/29/96/209912996.db2.gz MENYGPKBSLCGPC-UHFFFAOYSA-N 0 0 329.791 2.728 50 0 EFAARN CCN1C(=O)C(=Cc2c(C)nn(-c3ccccc3)c2C)NC1=S ZINC000002743757 209900571 /nfs/dbraw/zinc/90/05/71/209900571.db2.gz WTYTWPLYFHOVNX-GDNBJRDFSA-N 0 0 326.425 2.567 50 0 EFAARN CCCS(=O)(=O)N1CCN=C1SCc1cc(C)ccc1C ZINC000002711617 209894032 /nfs/dbraw/zinc/89/40/32/209894032.db2.gz XNHIWVAHXQCJRN-UHFFFAOYSA-N 0 0 326.487 2.948 50 0 EFAARN CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000002710997 209893604 /nfs/dbraw/zinc/89/36/04/209893604.db2.gz NGFKUGQBPWAUQH-HUUCEWRRSA-N 0 0 348.468 2.901 50 0 EFAARN CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)N1CCCC1)CC2 ZINC000097654071 282662748 /nfs/dbraw/zinc/66/27/48/282662748.db2.gz KLZOYQRIIYABFJ-KRWDZBQOSA-N 0 0 341.455 2.683 50 0 EFAARN COC(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 ZINC000002641541 209881273 /nfs/dbraw/zinc/88/12/73/209881273.db2.gz ABFAGNCHYDYJLB-UHFFFAOYSA-N 0 0 329.337 2.837 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1Br ZINC000041091688 213415397 /nfs/dbraw/zinc/41/53/97/213415397.db2.gz HRCPUPNTOMRGEI-LLVKDONJSA-N 0 0 348.262 2.523 50 0 EFAARN COC(=O)CSc1nc2sc3c(c2c2ncnn21)C[C@H](C)CC3 ZINC000002344043 209842647 /nfs/dbraw/zinc/84/26/47/209842647.db2.gz TUEBVIPNLFFRLN-MRVPVSSYSA-N 0 0 348.453 2.729 50 0 EFAARN COC(=O)[C@@](NC(=O)OC(C)C)(Oc1ccccc1)C(F)(F)F ZINC000002345534 209842448 /nfs/dbraw/zinc/84/24/48/209842448.db2.gz NFYUZWGLFMWBLO-CYBMUJFWSA-N 0 0 335.278 2.632 50 0 EFAARN COc1ccc(C(=O)NCCCOC(=O)c2ccc(OC)cc2)cc1 ZINC000002275159 209836989 /nfs/dbraw/zinc/83/69/89/209836989.db2.gz LRNFGQOOBDFTIC-UHFFFAOYSA-N 0 0 343.379 2.681 50 0 EFAARN O=C(Nc1ccc(Cl)cc1C(=O)NCCCCO)c1ccco1 ZINC000002182454 209827500 /nfs/dbraw/zinc/82/75/00/209827500.db2.gz DELUSRZIKGHAQT-UHFFFAOYSA-N 0 0 336.775 2.688 50 0 EFAARN CCOc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1 ZINC000002179471 209827214 /nfs/dbraw/zinc/82/72/14/209827214.db2.gz JTVCUAJIAFFQJI-UHFFFAOYSA-N 0 0 341.454 2.890 50 0 EFAARN CCCCOc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000002138095 209823967 /nfs/dbraw/zinc/82/39/67/209823967.db2.gz VGPAEDVQYWXQOM-UHFFFAOYSA-N 0 0 330.384 2.663 50 0 biogenic EFAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1Cl ZINC000100220476 290922077 /nfs/dbraw/zinc/92/20/77/290922077.db2.gz REIGLQUFMMOAFU-UHFFFAOYSA-N 0 0 335.787 2.921 50 0 EFAARN CCn1c(C(=O)Nc2c(C)nn(C)c2C(=O)OC)cc2sccc21 ZINC000040798873 213387904 /nfs/dbraw/zinc/38/79/04/213387904.db2.gz AFDBYAHELAYQAM-UHFFFAOYSA-N 0 0 346.412 2.804 50 0 EFAARN O=C(CCCn1cccn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000068975299 215349750 /nfs/dbraw/zinc/34/97/50/215349750.db2.gz HWJMUCLUGZXOSG-OAHLLOKOSA-N 0 0 337.427 2.946 50 0 EFAARN Cn1nc(C(=O)NC2CCCCC2)cc1NC(=O)c1cccs1 ZINC000040745910 213382532 /nfs/dbraw/zinc/38/25/32/213382532.db2.gz KELGISHUWOAMQT-UHFFFAOYSA-N 0 0 332.429 2.796 50 0 EFAARN CCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002110153 209820913 /nfs/dbraw/zinc/82/09/13/209820913.db2.gz YXQZBJANBHTDQQ-BTFPBAQTSA-N 0 0 330.421 2.590 50 0 biogenic EFAARN CC(C)C[N@@H+]1CCN(Cc2ccc3cccc(F)c3n2)C[C@H]1CCO ZINC000104394558 219383946 /nfs/dbraw/zinc/38/39/46/219383946.db2.gz MQBQMPBOJNOUNV-GOSISDBHSA-N 0 0 345.462 2.899 50 0 EFAARN Cc1cc(=O)oc2cc(OC(=O)CNC(=O)OC(C)(C)C)ccc12 ZINC000002090409 209818765 /nfs/dbraw/zinc/81/87/65/209818765.db2.gz WHWUGNIBNJASHQ-UHFFFAOYSA-N 0 0 333.340 2.532 50 0 biogenic EFAARN Cc1ccccc1CN1CCN(Cc2nccs2)C[C@H]1CCO ZINC000104471956 219388648 /nfs/dbraw/zinc/38/86/48/219388648.db2.gz IKHFDNOPIYYDMS-QGZVFWFLSA-N 0 0 331.485 2.520 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 ZINC000069348535 215382086 /nfs/dbraw/zinc/38/20/86/215382086.db2.gz XCNXXZDRCHEZSE-UHFFFAOYSA-N 0 0 342.418 2.782 50 0 EFAARN O=C(NC1CCCCC1)/C(=C/c1cccnc1)NC(=O)c1ccco1 ZINC000001895546 209803222 /nfs/dbraw/zinc/80/32/22/209803222.db2.gz OLVKSHOWBZVPHP-VBKFSLOCSA-N 0 0 339.395 2.894 50 0 EFAARN O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000069367807 215389162 /nfs/dbraw/zinc/38/91/62/215389162.db2.gz FVUFVZSWQHNBCM-KRWDZBQOSA-N 0 0 344.361 2.999 50 0 EFAARN CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccc(C)cc1 ZINC000040478661 213314235 /nfs/dbraw/zinc/31/42/35/213314235.db2.gz HATNOMVNJAOIBW-UHFFFAOYSA-N 0 0 335.407 2.584 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000040466676 213310123 /nfs/dbraw/zinc/31/01/23/213310123.db2.gz QMBUKJGUWWMXES-UHFFFAOYSA-N 0 0 333.457 2.630 50 0 EFAARN CCCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O ZINC000040391839 213296560 /nfs/dbraw/zinc/29/65/60/213296560.db2.gz XBIMMSTVGZEYLD-UHFFFAOYSA-N 0 0 337.358 2.964 50 0 EFAARN CCCn1ccc2c(nnc3c(-c4ccccc4)c(COC)nn32)c1=O ZINC000040391100 213296535 /nfs/dbraw/zinc/29/65/35/213296535.db2.gz SMOJBCUYTQKQSH-UHFFFAOYSA-N 0 0 349.394 2.663 50 0 EFAARN O=c1c2cnc3ccnn3c2ccn1CCc1c[nH]c2ccccc12 ZINC000040387584 213295788 /nfs/dbraw/zinc/29/57/88/213295788.db2.gz GVAMYAUHBDDNBJ-UHFFFAOYSA-N 0 0 329.363 2.768 50 0 EFAARN COCc1nn2c(nnc(C(=O)OC)c2C)c1-c1cccc(Cl)c1 ZINC000040385198 213295706 /nfs/dbraw/zinc/29/57/06/213295706.db2.gz DSBQVAYVAVWAHP-UHFFFAOYSA-N 0 0 346.774 2.686 50 0 EFAARN O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C[C@H]1CCCO1 ZINC000040387796 213295300 /nfs/dbraw/zinc/29/53/00/213295300.db2.gz WBWFWVKZEDRTAG-OAHLLOKOSA-N 0 0 346.390 2.890 50 0 EFAARN CC(=O)c1cn(CCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc12 ZINC000040309466 213291094 /nfs/dbraw/zinc/29/10/94/213291094.db2.gz OGUUUIXLZMXMBE-UHFFFAOYSA-N 0 0 349.390 2.972 50 0 biogenic EFAARN O=C(CCn1sc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 ZINC000040286677 213288986 /nfs/dbraw/zinc/28/89/86/213288986.db2.gz OYNAIMPMVZSSHB-UHFFFAOYSA-N 0 0 342.376 2.821 50 0 EFAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1Cl ZINC000040287339 213288789 /nfs/dbraw/zinc/28/87/89/213288789.db2.gz HAHBCMNOAYZULP-OAHLLOKOSA-N 0 0 343.774 2.563 50 0 EFAARN COc1ccc(NC(=O)c2cccc(Cl)c2)cc1-n1cnnn1 ZINC000040286603 213288707 /nfs/dbraw/zinc/28/87/07/213288707.db2.gz UQTASKVLSHPMGZ-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN COCc1nnc(NC(=O)CCn2ccc3c2cccc3C)s1 ZINC000040266570 213286094 /nfs/dbraw/zinc/28/60/94/213286094.db2.gz HTABDDHFUIYJFA-UHFFFAOYSA-N 0 0 330.413 2.976 50 0 EFAARN Cc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)n1 ZINC000039444986 213236638 /nfs/dbraw/zinc/23/66/38/213236638.db2.gz MDBMMJCNBCWKFV-HXUWFJFHSA-N 0 0 343.446 2.598 50 0 EFAARN CCC(CC)N1C[C@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O ZINC000039404097 213236500 /nfs/dbraw/zinc/23/65/00/213236500.db2.gz JFZURQYXFSVIBZ-SNVBAGLBSA-N 0 0 338.477 2.811 50 0 EFAARN CCOC(=O)[C@@]1(Sc2nc3ccccc3[nH]2)CC(C)(C)OC1=O ZINC000001424006 209744583 /nfs/dbraw/zinc/74/45/83/209744583.db2.gz HYLOPWISEZEFQQ-INIZCTEOSA-N 0 0 334.397 2.682 50 0 EFAARN CCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(OC)cc32)cc1 ZINC000001320657 209725205 /nfs/dbraw/zinc/72/52/05/209725205.db2.gz BXPRZTXBTLARTA-LJQANCHMSA-N 0 0 325.364 2.670 50 0 EFAARN COc1ccc(CCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000038848955 213228914 /nfs/dbraw/zinc/22/89/14/213228914.db2.gz VIJWEVSWMKAHLW-UHFFFAOYSA-N 0 0 335.407 2.913 50 0 EFAARN NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCc1ccccc1-2 ZINC000001056419 209705166 /nfs/dbraw/zinc/70/51/66/209705166.db2.gz HXCYKGAIZGNVGK-CYBMUJFWSA-N 0 0 342.420 2.730 50 0 EFAARN O=C(NCc1ccco1)c1ccsc1NC(=O)c1cccnc1 ZINC000001053402 209704267 /nfs/dbraw/zinc/70/42/67/209704267.db2.gz CNSREVMDVXATDU-UHFFFAOYSA-N 0 0 327.365 2.918 50 0 EFAARN COc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1ccco1 ZINC000001083117 209710272 /nfs/dbraw/zinc/71/02/72/209710272.db2.gz INEZCFOATYRSBW-MDWZMJQESA-N 0 0 345.332 2.831 50 0 EFAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(-c2ccco2)on1 ZINC000038754414 213223750 /nfs/dbraw/zinc/22/37/50/213223750.db2.gz MOQLCIJTUHVQQX-DIFFPNOSSA-N 0 0 340.335 2.779 50 0 EFAARN O=C(NCc1cc(-c2ccco2)on1)c1ccc2nsnc2c1 ZINC000038754433 213223453 /nfs/dbraw/zinc/22/34/53/213223453.db2.gz HIMACKCTFSVIRM-UHFFFAOYSA-N 0 0 326.337 2.869 50 0 EFAARN Cc1noc(C)c1CN1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000038679342 213220849 /nfs/dbraw/zinc/22/08/49/213220849.db2.gz CWAXIMJLCWFULJ-CMDGGOBGSA-N 0 0 325.412 2.649 50 0 EFAARN O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCC(O)CC1 ZINC000038670956 213219559 /nfs/dbraw/zinc/21/95/59/213219559.db2.gz OYLOIZMNJNAFFL-UHFFFAOYSA-N 0 0 327.409 2.888 50 0 EFAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccsc1 ZINC000038677554 213220203 /nfs/dbraw/zinc/22/02/03/213220203.db2.gz ULQFBJBQTCFTTD-UHFFFAOYSA-N 0 0 336.438 2.849 50 0 EFAARN O=C(NCC1(c2ccc(F)cc2)CC1)[C@@H]1COc2ccccc2O1 ZINC000038591236 213216426 /nfs/dbraw/zinc/21/64/26/213216426.db2.gz UKESPFWQHXIJBN-KRWDZBQOSA-N 0 0 327.355 2.814 50 0 EFAARN O=C(CSc1ncccn1)NCc1cc(-c2ccc(F)cc2)on1 ZINC000038582156 213216145 /nfs/dbraw/zinc/21/61/45/213216145.db2.gz UCBMQAIYUUVCKC-UHFFFAOYSA-N 0 0 344.371 2.679 50 0 EFAARN O=C(c1ccc2nsnc2c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000038569761 213216008 /nfs/dbraw/zinc/21/60/08/213216008.db2.gz NYRAMYVTMKPFEZ-MRXNPFEDSA-N 0 0 325.393 2.905 50 0 EFAARN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 ZINC000000615816 209680648 /nfs/dbraw/zinc/68/06/48/209680648.db2.gz YTZGMZFHWDZDMH-UHFFFAOYSA-N 0 0 329.381 2.557 50 0 EFAARN O=C(NCc1ccco1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000000614585 209680026 /nfs/dbraw/zinc/68/00/26/209680026.db2.gz FHUPWWRIQRMSBI-CQSZACIVSA-N 0 0 349.184 2.852 50 0 EFAARN Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccnc3)cc2)nn1 ZINC000038670557 213218984 /nfs/dbraw/zinc/21/89/84/213218984.db2.gz ZPFFITSAQBPQNE-UHFFFAOYSA-N 0 0 341.396 2.724 50 0 EFAARN O=C1C[C@H](c2nc(-c3ccccn3)no2)CN1Cc1cccs1 ZINC000038671149 213218710 /nfs/dbraw/zinc/21/87/10/213218710.db2.gz XODKCXKPDHFQAE-NSHDSACASA-N 0 0 326.381 2.709 50 0 EFAARN COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccn1 ZINC000000609960 209674659 /nfs/dbraw/zinc/67/46/59/209674659.db2.gz YUVATKQDYAWWKS-UHFFFAOYSA-N 0 0 326.805 2.531 50 0 EFAARN CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2cn(C)nc2C)cc1 ZINC000000609500 209673432 /nfs/dbraw/zinc/67/34/32/209673432.db2.gz ORRUMSHEZKWEDN-LLVKDONJSA-N 0 0 346.456 2.953 50 0 EFAARN C[C@@H](C(=O)N1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000000581812 209671752 /nfs/dbraw/zinc/67/17/52/209671752.db2.gz AFDPSXZNLYZRCC-LBPRGKRZSA-N 0 0 344.864 2.507 50 0 EFAARN O=C([C@H]1CC(=O)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000038488469 213210250 /nfs/dbraw/zinc/21/02/50/213210250.db2.gz AKNYALGWRYMXTF-SFHVURJKSA-N 0 0 338.382 2.845 50 0 EFAARN C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000038266994 213206162 /nfs/dbraw/zinc/20/61/62/213206162.db2.gz XWYBFXIUISNTQG-KMNUWYNSSA-N 0 0 348.483 2.747 50 0 EFAARN CCOC(=O)Cn1c(C)c(Br)c(=O)c2cccc(C)c21 ZINC000000553702 209662087 /nfs/dbraw/zinc/66/20/87/209662087.db2.gz UVJJXEIBCFESAO-UHFFFAOYSA-N 0 0 338.201 2.944 50 0 EFAARN CC(C)Nc1cc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)ncn1 ZINC000426388426 535291371 /nfs/dbraw/zinc/29/13/71/535291371.db2.gz QHRDRWWMSOVTDB-MRXNPFEDSA-N 0 0 340.427 2.873 50 0 EFAARN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1cccs1 ZINC000000541587 209656726 /nfs/dbraw/zinc/65/67/26/209656726.db2.gz NDENHOAYXZVBJS-UHFFFAOYSA-N 0 0 330.390 2.981 50 0 EFAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000000535686 209654519 /nfs/dbraw/zinc/65/45/19/209654519.db2.gz LKDMKBVXEISXJR-MRXNPFEDSA-N 0 0 337.375 2.986 50 0 EFAARN CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1 ZINC000000528758 209649012 /nfs/dbraw/zinc/64/90/12/209649012.db2.gz UOVZBDDHUTURET-HNNXBMFYSA-N 0 0 347.436 2.846 50 0 EFAARN COc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)cc1OC ZINC000000523623 209646358 /nfs/dbraw/zinc/64/63/58/209646358.db2.gz JPPBWDHQZUNDFK-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN Cc1ccc(Cc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 ZINC000000522420 209644371 /nfs/dbraw/zinc/64/43/71/209644371.db2.gz KDXADIZHVTWIBD-UHFFFAOYSA-N 0 0 325.437 2.950 50 0 EFAARN CCCC(=O)NCC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000069776032 215575464 /nfs/dbraw/zinc/57/54/64/215575464.db2.gz LWKDYTRCQDAMIL-YPMHNXCESA-N 0 0 328.334 2.594 50 0 EFAARN CCOc1cccc(=O)c2c(C)n(NC(=O)c3ccncc3)c(C)c21 ZINC000000488143 209631674 /nfs/dbraw/zinc/63/16/74/209631674.db2.gz FUJUSWRRBGCWTK-UHFFFAOYSA-N 0 0 337.379 2.796 50 0 biogenic EFAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccccc2)c1C(N)=O ZINC000000483853 209629731 /nfs/dbraw/zinc/62/97/31/209629731.db2.gz KKLZNZULPQMSGP-UHFFFAOYSA-N 0 0 346.408 2.973 50 0 EFAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CCCC2)c1C(N)=O ZINC000000483766 209629436 /nfs/dbraw/zinc/62/94/36/209629436.db2.gz DMCKSVMTMNKDOA-UHFFFAOYSA-N 0 0 338.429 2.849 50 0 EFAARN CN1C[C@]2(CCCN(c3nc(-c4ccccc4)no3)CC2)OC1=O ZINC000072147279 283252578 /nfs/dbraw/zinc/25/25/78/283252578.db2.gz OTEYGPQNYQELDS-QGZVFWFLSA-N 0 0 328.372 2.548 50 0 EFAARN CCOC(=O)C1CCN(C(=O)Nc2ccc3oc(C)nc3c2)CC1 ZINC000000470178 209620702 /nfs/dbraw/zinc/62/07/02/209620702.db2.gz CHVQFVYNANERJK-UHFFFAOYSA-N 0 0 331.372 2.943 50 0 EFAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1Cl ZINC000069970205 215648782 /nfs/dbraw/zinc/64/87/82/215648782.db2.gz NASZTTMJYWZMSF-OAHLLOKOSA-N 0 0 338.835 2.644 50 0 EFAARN CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1 ZINC000000468081 209620117 /nfs/dbraw/zinc/62/01/17/209620117.db2.gz UBJPYOKYPIVFQH-UHFFFAOYSA-N 0 0 329.585 2.966 50 0 EFAARN Cn1nc(NC(=O)c2ccco2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000036705596 213111514 /nfs/dbraw/zinc/11/15/14/213111514.db2.gz QSMFSEDCLNCANA-VIFPVBQESA-N 0 0 342.380 2.801 50 0 EFAARN O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000036699891 213111284 /nfs/dbraw/zinc/11/12/84/213111284.db2.gz MAGAREMFMCLKSO-SFHVURJKSA-N 0 0 346.377 2.768 50 0 EFAARN O=C(Cc1csc(-n2cccc2)n1)NCCOc1ccc(F)cc1 ZINC000036708374 213112724 /nfs/dbraw/zinc/11/27/24/213112724.db2.gz WPSYRMMYIHWZJS-UHFFFAOYSA-N 0 0 345.399 2.811 50 0 EFAARN O=C(CSc1cc(N2CCCC2)ncn1)N1CCc2ccccc21 ZINC000036708503 213112732 /nfs/dbraw/zinc/11/27/32/213112732.db2.gz VDXRKYURLHBPQP-UHFFFAOYSA-N 0 0 340.452 2.758 50 0 EFAARN CCOC(=O)c1csc(NC(=O)NCCc2ccc(OC)cc2)n1 ZINC000036709054 213112324 /nfs/dbraw/zinc/11/23/24/213112324.db2.gz QRCQOOFKPQFFSP-UHFFFAOYSA-N 0 0 349.412 2.693 50 0 EFAARN CCOC(=O)CCC(=O)N1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708745 213111849 /nfs/dbraw/zinc/11/18/49/213111849.db2.gz RDJAYMVDPYCPEJ-UHFFFAOYSA-N 0 0 343.427 2.618 50 0 EFAARN CN(C)c1ccc([C@@H](O)[C@](C)(O)c2nc3ccccc3n2C)cc1 ZINC000000450715 209608572 /nfs/dbraw/zinc/60/85/72/209608572.db2.gz UKURFEZPMWJIHX-MJGOQNOKSA-N 0 0 325.412 2.580 50 0 EFAARN COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000000453023 209609666 /nfs/dbraw/zinc/60/96/66/209609666.db2.gz NOLFCKWIDZHVNV-UHFFFAOYSA-N 0 0 332.356 2.739 50 0 EFAARN CCn1c2nc(-c3ccccc3)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000036617273 213102458 /nfs/dbraw/zinc/10/24/58/213102458.db2.gz AZPIAYLIBFMZQB-UHFFFAOYSA-N 0 0 341.392 2.928 50 0 EFAARN Cc1nn(CC(=O)NCC(C)C)c2nc(C)cc(C(F)(F)F)c12 ZINC000036612466 213101727 /nfs/dbraw/zinc/10/17/27/213101727.db2.gz CAQPTEOVUAWWEL-UHFFFAOYSA-N 0 0 328.338 2.839 50 0 EFAARN Cc1c(-c2cc(C(F)(F)F)nc(NC[C@@H]3CCCO3)n2)cnn1C ZINC000036613714 213101771 /nfs/dbraw/zinc/10/17/71/213101771.db2.gz WQCDUOAKABMTHG-JTQLQIEISA-N 0 0 341.337 2.795 50 0 EFAARN CC(C)CCNC(=O)CC[C@H]1NC(=O)N([C@H](C)c2ccccc2)C1=O ZINC000036597163 213100949 /nfs/dbraw/zinc/10/09/49/213100949.db2.gz JQLKSDLWJMSVKL-GDBMZVCRSA-N 0 0 345.443 2.815 50 0 EFAARN COC(=O)CCNC(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000036367054 213090951 /nfs/dbraw/zinc/09/09/51/213090951.db2.gz SBLKSGLQWYNGEP-UHFFFAOYSA-N 0 0 336.391 2.983 50 0 EFAARN CC(C)(C)c1nnc(NC(=O)c2cc(=O)[nH]c3ccccc32)s1 ZINC000036359270 213089882 /nfs/dbraw/zinc/08/98/82/213089882.db2.gz XXCNQPDASWLTNU-UHFFFAOYSA-N 0 0 328.397 2.929 50 0 EFAARN COc1ccc(-c2nnsc2C(=O)NCc2ccccn2)cc1 ZINC000036360365 213089674 /nfs/dbraw/zinc/08/96/74/213089674.db2.gz GQVWDHYHHKNDGH-UHFFFAOYSA-N 0 0 326.381 2.539 50 0 EFAARN Cc1cc(SCC(=O)Nc2cc(Cl)ccc2O)n2cnnc2n1 ZINC000036235795 213077912 /nfs/dbraw/zinc/07/79/12/213077912.db2.gz JPVIQNWRNNROJO-UHFFFAOYSA-N 0 0 349.803 2.523 50 0 EFAARN Cc1ccc(C)c(S(=O)(=O)NCc2nc(-c3cccs3)no2)c1 ZINC000036133369 213071245 /nfs/dbraw/zinc/07/12/45/213071245.db2.gz TUGPQKMHTWZJGN-UHFFFAOYSA-N 0 0 349.437 2.893 50 0 EFAARN O=C(CSc1ccc(-n2cccn2)nn1)Nc1ccc(F)cc1F ZINC000070635205 215699887 /nfs/dbraw/zinc/69/98/87/215699887.db2.gz KAZSSHMFAYULKQ-UHFFFAOYSA-N 0 0 347.350 2.671 50 0 EFAARN O=C1CC(=Cc2c[nH]c3ncccc23)C(=O)N1CCc1ccccc1 ZINC000070666337 215703455 /nfs/dbraw/zinc/70/34/55/215703455.db2.gz ISODEJZPSLQZMF-PTNGSMBKSA-N 0 0 331.375 2.948 50 0 biogenic EFAARN CN(C)[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccco1 ZINC000036078831 213060652 /nfs/dbraw/zinc/06/06/52/213060652.db2.gz RHSYVCWZDWRGAQ-CQSZACIVSA-N 0 0 342.848 2.655 50 0 EFAARN CN(C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1 ZINC000036079568 213060160 /nfs/dbraw/zinc/06/01/60/213060160.db2.gz QZEGGTNMUBJXKR-CQSZACIVSA-N 0 0 342.461 2.610 50 0 EFAARN COc1cc(F)ccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(C)cc21 ZINC000035686360 213047624 /nfs/dbraw/zinc/04/76/24/213047624.db2.gz JYKKVTIFLBCDLH-GOSISDBHSA-N 0 0 329.327 2.555 50 0 EFAARN NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000035686234 213046240 /nfs/dbraw/zinc/04/62/40/213046240.db2.gz YYCPEZZEDZDZRD-IBGZPJMESA-N 0 0 347.418 2.780 50 0 EFAARN CCCN1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC000035800933 213048856 /nfs/dbraw/zinc/04/88/56/213048856.db2.gz PBWINOBQOUEMMM-UHFFFAOYSA-N 0 0 330.881 2.673 50 0 EFAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCN(C2CCCCC2)CC1 ZINC000035800907 213048736 /nfs/dbraw/zinc/04/87/36/213048736.db2.gz KYKVUWKIOHWLCU-UHFFFAOYSA-N 0 0 344.427 2.604 50 0 EFAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(C)cc1 ZINC000000431464 209597884 /nfs/dbraw/zinc/59/78/84/209597884.db2.gz FWXBUTRTLUWXJO-KRWDZBQOSA-N 0 0 329.396 2.966 50 0 EFAARN CC(C)Cn1cc(C(=O)Nc2nncs2)c2ccccc2c1=O ZINC000071286947 215755239 /nfs/dbraw/zinc/75/52/39/215755239.db2.gz UMGYSHOFJBQUIY-UHFFFAOYSA-N 0 0 328.397 2.761 50 0 EFAARN Cn1nc(-c2cccs2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000035293646 213018556 /nfs/dbraw/zinc/01/85/56/213018556.db2.gz SWPWQQFBATZHFQ-UHFFFAOYSA-N 0 0 341.392 2.807 50 0 EFAARN COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@@H](C)C3)c(OC)c1 ZINC000071376129 215764438 /nfs/dbraw/zinc/76/44/38/215764438.db2.gz VZGDDPZNPWMMFU-LLVKDONJSA-N 0 0 342.395 2.769 50 0 EFAARN O=C(COc1ccc2c(c1)CCCC2)N1CC(=O)Nc2ccccc21 ZINC000071376102 215765437 /nfs/dbraw/zinc/76/54/37/215765437.db2.gz FNICYSIAJIWMKS-UHFFFAOYSA-N 0 0 336.391 2.930 50 0 EFAARN NC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000071375838 215765614 /nfs/dbraw/zinc/76/56/14/215765614.db2.gz CHSLBWVTBRXYGV-UHFFFAOYSA-N 0 0 326.377 2.740 50 0 EFAARN c1ccc(CCC[C@H]2CN(c3nnnn3-c3ccccc3)CCO2)cc1 ZINC000071422216 215773616 /nfs/dbraw/zinc/77/36/16/215773616.db2.gz GMHAFEKXUDAZLP-IBGZPJMESA-N 0 0 349.438 2.890 50 0 EFAARN Oc1ccc([C@H](O)CNc2nccc(CCC(F)(F)F)n2)cc1 ZINC000071552291 215785608 /nfs/dbraw/zinc/78/56/08/215785608.db2.gz VUTLQBMPAPLNHK-CYBMUJFWSA-N 0 0 327.306 2.823 50 0 EFAARN Cc1ccnc([C@H](NC(=O)c2cnc3cccc(C)n3c2=O)C2CC2)c1 ZINC000071749078 215805316 /nfs/dbraw/zinc/80/53/16/215805316.db2.gz RLELBUDUZBWFOJ-GOSISDBHSA-N 0 0 348.406 2.587 50 0 EFAARN FC(F)(F)CCc1ccnc(N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000071751979 215808645 /nfs/dbraw/zinc/80/86/45/215808645.db2.gz RJEZEEVYESCGOJ-SECBINFHSA-N 0 0 329.244 2.739 50 0 EFAARN Nn1c(=O)c2ccc(F)cc2nc1SCc1cc(F)ccc1F ZINC000071768820 215822394 /nfs/dbraw/zinc/82/23/94/215822394.db2.gz VMXZHHMFEZXIFW-UHFFFAOYSA-N 0 0 337.326 2.820 50 0 EFAARN CCOCC(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071759568 215814705 /nfs/dbraw/zinc/81/47/05/215814705.db2.gz BWYLPSCDTLBNNT-SFHVURJKSA-N 0 0 329.396 2.785 50 0 EFAARN CC[C@@H]1CN(C(=O)C(=O)CC(C)C)CCC(=O)N1Cc1ccccc1 ZINC000071762245 215816803 /nfs/dbraw/zinc/81/68/03/215816803.db2.gz CJNZUQMYITWRIX-QGZVFWFLSA-N 0 0 344.455 2.641 50 0 EFAARN O=C([O-])C[C@@H]1COCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072149948 304078863 /nfs/dbraw/zinc/07/88/63/304078863.db2.gz FITIQYFSRUUBDA-GOSISDBHSA-N 0 0 325.408 2.994 50 0 EFAARN NC(=O)c1oc2ccccc2c1NC(=O)c1coc2ccccc2c1=O ZINC000004194675 283395859 /nfs/dbraw/zinc/39/58/59/283395859.db2.gz AFIMGOMBHFRVCB-UHFFFAOYSA-N 0 0 348.314 2.890 50 0 EFAARN C[C@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)C[C@@H](C)CC2=O ZINC000071385035 291169757 /nfs/dbraw/zinc/16/97/57/291169757.db2.gz UJSQCSWPAXSGLQ-NEPJUHHUSA-N 0 0 336.391 2.731 50 0 EFAARN CC1CCN(S(=O)(=O)c2cccc(-c3csc(N)n3)c2)CC1 ZINC000032604216 212815042 /nfs/dbraw/zinc/81/50/42/212815042.db2.gz XKUVQQJBTJBVMT-UHFFFAOYSA-N 0 0 337.470 2.813 50 0 EFAARN CCNC(=O)c1cccnc1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000032593249 212813779 /nfs/dbraw/zinc/81/37/79/212813779.db2.gz ASBVGCJIKQTAGM-UHFFFAOYSA-N 0 0 344.846 2.811 50 0 EFAARN O=S(=O)(NCc1cccs1)c1ccc(-c2ccno2)s1 ZINC000032498091 212805428 /nfs/dbraw/zinc/80/54/28/212805428.db2.gz SWCQYDMLNBJNLT-UHFFFAOYSA-N 0 0 326.424 2.943 50 0 EFAARN O=C(Nc1cccc(O)c1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000032100398 212788942 /nfs/dbraw/zinc/78/89/42/212788942.db2.gz UWCUCMZJKSGJMA-CYBMUJFWSA-N 0 0 328.343 2.519 50 0 EFAARN CC(C)c1cc(N2CCCN(C(=O)C3CCC3)CC2)n2nccc2n1 ZINC000072129253 216018671 /nfs/dbraw/zinc/01/86/71/216018671.db2.gz DJQFROHXOGMYRD-UHFFFAOYSA-N 0 0 341.459 2.692 50 0 EFAARN Cc1ncsc1Cn1ncc(N(C)CCc2ccccc2)cc1=O ZINC000072128205 216019830 /nfs/dbraw/zinc/01/98/30/216019830.db2.gz JKVCIRIOCPYPER-UHFFFAOYSA-N 0 0 340.452 2.735 50 0 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/nfs/dbraw/zinc/19/47/78/216194778.db2.gz JCTPZYOBSUCUPD-UHFFFAOYSA-N 0 0 342.424 2.841 50 0 EFAARN COCc1nnc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)s1 ZINC000072403176 216194934 /nfs/dbraw/zinc/19/49/34/216194934.db2.gz SOSDZYRDLZYPBN-UHFFFAOYSA-N 0 0 343.412 2.739 50 0 EFAARN Cc1cc2nc(C)cc(NCc3csc(-c4cnccn4)n3)n2n1 ZINC000072408984 216201021 /nfs/dbraw/zinc/20/10/21/216201021.db2.gz GURNAFQSQURRKY-UHFFFAOYSA-N 0 0 337.412 2.872 50 0 EFAARN Cc1cc(Br)cc(C)c1OCC(=O)NC[C@H]1CCCO1 ZINC000000131416 209440735 /nfs/dbraw/zinc/44/07/35/209440735.db2.gz CUVFZRQWPDTSKT-CYBMUJFWSA-N 0 0 342.233 2.740 50 0 EFAARN CCc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072407240 216197713 /nfs/dbraw/zinc/19/77/13/216197713.db2.gz PFVWGJYOVIIXQE-CYBMUJFWSA-N 0 0 335.411 2.935 50 0 EFAARN Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2nccs2)C1 ZINC000072407595 216198395 /nfs/dbraw/zinc/19/83/95/216198395.db2.gz KRDOMJOXNCDOMU-CQSZACIVSA-N 0 0 346.504 2.642 50 0 EFAARN CCCc1nc2c(cnn2C)c(NCc2noc(-c3ccccc3)n2)n1 ZINC000072408397 216199179 /nfs/dbraw/zinc/19/91/79/216199179.db2.gz AROXRNUBGICYMT-UHFFFAOYSA-N 0 0 349.398 2.978 50 0 EFAARN COc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)[C@]3(C)O)c2c1 ZINC000000105574 209423985 /nfs/dbraw/zinc/42/39/85/209423985.db2.gz HGBOWIDELJGGCL-SFHVURJKSA-N 0 0 332.400 2.967 50 0 EFAARN CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1 ZINC000000105064 209423282 /nfs/dbraw/zinc/42/32/82/209423282.db2.gz UIGODPXDWBZFNY-UHFFFAOYSA-N 0 0 331.372 2.614 50 0 EFAARN O=C(C=Cc1ccccc1)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000028284086 212613223 /nfs/dbraw/zinc/61/32/23/212613223.db2.gz LCMPPCNYBOPJLU-UWLACMPISA-N 0 0 344.436 2.823 50 0 EFAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000000103647 209421955 /nfs/dbraw/zinc/42/19/55/209421955.db2.gz AKTZPIWRTFIROJ-UHFFFAOYSA-N 0 0 327.262 2.578 50 0 EFAARN COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000103449 209421695 /nfs/dbraw/zinc/42/16/95/209421695.db2.gz QBKFJJSNKWKRRJ-UHFFFAOYSA-N 0 0 326.377 2.651 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1c(Cl)cnn1C ZINC000072417870 216206898 /nfs/dbraw/zinc/20/68/98/216206898.db2.gz XNXCJTSYXPWOAR-UHFFFAOYSA-N 0 0 329.791 2.531 50 0 EFAARN CCN1CC2(CC1=O)CCN(C(=O)c1sccc1Cl)CC2 ZINC000072418208 216206924 /nfs/dbraw/zinc/20/69/24/216206924.db2.gz XIMPBFHFUQDURK-UHFFFAOYSA-N 0 0 326.849 2.876 50 0 EFAARN COC(=O)c1cc(N[C@H]2OC(=O)c3ccccc32)cc(C(=O)OC)c1 ZINC000000100198 209419948 /nfs/dbraw/zinc/41/99/48/209419948.db2.gz JAYUZRACKROPJC-HNNXBMFYSA-N 0 0 341.319 2.541 50 0 EFAARN c1nn(Cc2ccccc2)c2ncn3c(nnc3-c3ccncc3)c12 ZINC000000098951 209419228 /nfs/dbraw/zinc/41/92/28/209419228.db2.gz JQGMGAWIZLDXIL-UHFFFAOYSA-N 0 0 327.351 2.584 50 0 EFAARN O=C(c1cnsn1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000072411289 216203706 /nfs/dbraw/zinc/20/37/06/216203706.db2.gz SOJFAIUVEMJXFY-QILLFSRXSA-N 0 0 343.452 2.831 50 0 EFAARN CC(C)Cc1noc(-c2ccc(N(C)CCc3cn[nH]c3)nc2)n1 ZINC000072411138 216203725 /nfs/dbraw/zinc/20/37/25/216203725.db2.gz VKFYRKBHYWLRGL-UHFFFAOYSA-N 0 0 326.404 2.732 50 0 EFAARN CSCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072412235 216204822 /nfs/dbraw/zinc/20/48/22/216204822.db2.gz PWUVFSCJFKALTA-UHFFFAOYSA-N 0 0 333.375 2.878 50 0 EFAARN Cc1cc([C@@H]2c3[nH]cnc3CCN2CCOCc2ccccc2)on1 ZINC000072419185 216207386 /nfs/dbraw/zinc/20/73/86/216207386.db2.gz UXDIFLMCKWFFCV-LJQANCHMSA-N 0 0 338.411 2.870 50 0 EFAARN Cc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CCC(=O)N3C)n2n1 ZINC000072419711 216207455 /nfs/dbraw/zinc/20/74/55/216207455.db2.gz LECJGAIQSCIYHX-HNNXBMFYSA-N 0 0 335.411 2.737 50 0 EFAARN Cc1cc(NC(=O)CSc2nnc3sc4ccccc4n23)no1 ZINC000000091693 209415520 /nfs/dbraw/zinc/41/55/20/209415520.db2.gz RQISEIXEGZOCSC-UHFFFAOYSA-N 0 0 345.409 2.971 50 0 EFAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000000087975 209412784 /nfs/dbraw/zinc/41/27/84/209412784.db2.gz WAMSGSJLWLGRIC-ZDUSSCGKSA-N 0 0 340.379 2.695 50 0 EFAARN Cc1nc[nH]c1C(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000072422104 216210093 /nfs/dbraw/zinc/21/00/93/216210093.db2.gz WMNIMTMHUXZHTL-LBPRGKRZSA-N 0 0 341.440 2.727 50 0 EFAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cccc2ccnn21 ZINC000072423152 216211303 /nfs/dbraw/zinc/21/13/03/216211303.db2.gz STMKRJXWODFHNE-UHFFFAOYSA-N 0 0 331.379 2.792 50 0 EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1OC(C)C ZINC000000080896 209407466 /nfs/dbraw/zinc/40/74/66/209407466.db2.gz DLKQUSGUFCLFAU-OAHLLOKOSA-N 0 0 334.441 2.830 50 0 EFAARN Cc1cc2nc(C)cc(NCc3nc(Cc4ccccc4)no3)n2n1 ZINC000072427048 216217408 /nfs/dbraw/zinc/21/74/08/216217408.db2.gz UPSVIIOAXRAAQR-UHFFFAOYSA-N 0 0 334.383 2.932 50 0 EFAARN COc1ccc(-n2c(=O)cc(C)nc2Nc2nc(C)cc(C)n2)cc1 ZINC000000069460 209399869 /nfs/dbraw/zinc/39/98/69/209399869.db2.gz DLGRYDARASFWOT-UHFFFAOYSA-N 0 0 337.383 2.700 50 0 EFAARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(O)c2)NC(=O)N1 ZINC000000068749 209399920 /nfs/dbraw/zinc/39/99/20/209399920.db2.gz OURSKOUZHPMVEZ-INIZCTEOSA-N 0 0 330.384 2.896 50 0 EFAARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(O)c2)NC(=O)N1 ZINC000000068740 209399722 /nfs/dbraw/zinc/39/97/22/209399722.db2.gz OURSKOUZHPMVEZ-MRXNPFEDSA-N 0 0 330.384 2.896 50 0 EFAARN Cc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000000068611 209399817 /nfs/dbraw/zinc/39/98/17/209399817.db2.gz XUOOWKOOBBLBRU-UONOGXRCSA-N 0 0 346.814 2.841 50 0 EFAARN Cc1cc2nc(-c3ccccc3)cc(NC[C@](C)(O)CCCO)n2n1 ZINC000072423532 216213279 /nfs/dbraw/zinc/21/32/79/216213279.db2.gz LIRZAEXWQKTZHS-LJQANCHMSA-N 0 0 340.427 2.640 50 0 EFAARN CCC1=NN(C(=O)c2cccnc2)[C@](O)(c2ccc(OC)cc2)C1 ZINC000000068237 209398744 /nfs/dbraw/zinc/39/87/44/209398744.db2.gz IQLYLPBRXYXNTE-GOSISDBHSA-N 0 0 325.368 2.547 50 0 EFAARN Cc1nonc1OCCNc1cc(-c2ccccc2)nc2ccnn21 ZINC000072423427 216213819 /nfs/dbraw/zinc/21/38/19/216213819.db2.gz KEQVESIVSLCQON-UHFFFAOYSA-N 0 0 336.355 2.579 50 0 EFAARN CCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@@H](C)C2 ZINC000000061466 209394585 /nfs/dbraw/zinc/39/45/85/209394585.db2.gz WUHVVRLAWXKKPL-LLVKDONJSA-N 0 0 336.457 2.694 50 0 EFAARN O=C(Cc1c(F)cccc1Cl)Nn1nnnc1Nc1ccccc1 ZINC000000055389 209393695 /nfs/dbraw/zinc/39/36/95/209393695.db2.gz ATGDHLVANXVEBH-UHFFFAOYSA-N 0 0 346.753 2.522 50 0 EFAARN Cc1cc(C(F)(F)F)nc(NC(=O)NC(=O)c2cccc(F)c2)n1 ZINC000000056318 209392772 /nfs/dbraw/zinc/39/27/72/209392772.db2.gz YEQBXWGYDBTROO-UHFFFAOYSA-N 0 0 342.252 2.905 50 0 EFAARN COc1ccc(C[NH2+][C@H](CC(=O)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000000049115 209389299 /nfs/dbraw/zinc/38/92/99/209389299.db2.gz NEZRZWNXIDUQFQ-MRXNPFEDSA-N 0 0 331.343 2.650 50 0 EFAARN CCOc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000000045198 209388010 /nfs/dbraw/zinc/38/80/10/209388010.db2.gz HTPVYTHBOJNVPY-GFCCVEGCSA-N 0 0 338.363 2.709 50 0 EFAARN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000000044328 209386490 /nfs/dbraw/zinc/38/64/90/209386490.db2.gz DGAIDWIVSHXKMV-LBPRGKRZSA-N 0 0 328.343 2.826 50 0 EFAARN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC1CCCC1 ZINC000000044505 209386567 /nfs/dbraw/zinc/38/65/67/209386567.db2.gz JVHMEZVZCPEPAC-MRXNPFEDSA-N 0 0 330.384 2.809 50 0 EFAARN 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COc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000019832603 212072936 /nfs/dbraw/zinc/07/29/36/212072936.db2.gz XQNYUPVJODSNBW-UHFFFAOYSA-N 0 0 326.396 2.780 50 0 EFAARN O=C1CC2(CCCC2)C(=O)N1CCNc1ncccc1C(F)(F)F ZINC000019834485 212072818 /nfs/dbraw/zinc/07/28/18/212072818.db2.gz AMEZXNAWGFMZDY-UHFFFAOYSA-N 0 0 341.333 2.832 50 0 EFAARN COc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000019831975 212072588 /nfs/dbraw/zinc/07/25/88/212072588.db2.gz VBWUQPYMXJYOPW-UHFFFAOYSA-N 0 0 328.387 2.792 50 0 EFAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000077485573 216916984 /nfs/dbraw/zinc/91/69/84/216916984.db2.gz YJXUTBGUBGHNJL-HNNXBMFYSA-N 0 0 347.411 2.682 50 0 EFAARN O=C1c2ccccc2[C@@H](NCc2cccnc2)N1Cc1cccnc1 ZINC000019815116 212071736 /nfs/dbraw/zinc/07/17/36/212071736.db2.gz NFJZOEJZLZTHPD-IBGZPJMESA-N 0 0 330.391 2.921 50 0 EFAARN CCC[C@@H](C)N1CC2(CCN(C(=O)c3ncoc3C)CC2)OC1=O ZINC000077469964 216912323 /nfs/dbraw/zinc/91/23/23/216912323.db2.gz GGXFPQWUXYPFGO-GFCCVEGCSA-N 0 0 335.404 2.599 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COCCCNc1ncnc2sc(C(=O)NCC3CC3)c(C)c21 ZINC000015067539 211795403 /nfs/dbraw/zinc/79/54/03/211795403.db2.gz QKFDVMHRDZIFKZ-UHFFFAOYSA-N 0 0 334.445 2.588 50 0 EFAARN C[C@@H]1CN(C(=O)c2coc(COc3cccc(F)c3)n2)C[C@H](C)O1 ZINC000015076068 211798605 /nfs/dbraw/zinc/79/86/05/211798605.db2.gz XZSDFWNALKKRIG-TXEJJXNPSA-N 0 0 334.347 2.642 50 0 EFAARN COc1ccc(F)c(CNC(=O)c2cc(CC(C)C)nn2C)c1F ZINC000082115687 217470927 /nfs/dbraw/zinc/47/09/27/217470927.db2.gz ZRWKZVUMMXDQOF-UHFFFAOYSA-N 0 0 337.370 2.835 50 0 EFAARN O=C(N[C@H]1CCc2n[nH]cc2C1)c1csc(-c2cccs2)n1 ZINC000082126588 217473145 /nfs/dbraw/zinc/47/31/45/217473145.db2.gz YWRBJSRFIIGMGG-JTQLQIEISA-N 0 0 330.438 2.882 50 0 EFAARN CC(C)CC(=O)N1CCCC[C@@H](NC(=O)CCc2cccnc2)C1 ZINC000082125369 217474142 /nfs/dbraw/zinc/47/41/42/217474142.db2.gz WICOVLAQWTYLGT-QGZVFWFLSA-N 0 0 331.460 2.558 50 0 EFAARN O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC(CO)CC1 ZINC000082135158 217474928 /nfs/dbraw/zinc/47/49/28/217474928.db2.gz RYABLIKXNFFRNW-UHFFFAOYSA-N 0 0 335.407 2.846 50 0 EFAARN CCn1cc(CNS(=O)(=O)c2ccc3ccccc3c2)c(C)n1 ZINC000014249612 211722904 /nfs/dbraw/zinc/72/29/04/211722904.db2.gz IKFJBVPCFUWFTJ-UHFFFAOYSA-N 0 0 329.425 2.843 50 0 EFAARN COc1cccc(N2CCN(Cc3ccc(C(C)=O)cc3)CC2=O)c1 ZINC000082139477 217477026 /nfs/dbraw/zinc/47/70/26/217477026.db2.gz SPJUDJFJJDCEQX-UHFFFAOYSA-N 0 0 338.407 2.747 50 0 EFAARN COc1ccc(Cn2nc(-c3cnn(C)c3)cc2-c2cnn(C)c2)cc1 ZINC000013960907 211662707 /nfs/dbraw/zinc/66/27/07/211662707.db2.gz WFMKBJJKKLWQEZ-UHFFFAOYSA-N 0 0 348.410 2.741 50 0 EFAARN CCCCNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl ZINC000013942211 211658499 /nfs/dbraw/zinc/65/84/99/211658499.db2.gz FRJNRRIDVKWFOC-UHFFFAOYSA-N 0 0 333.215 2.865 50 0 EFAARN O=C(NC[C@]1(O)CCc2ccccc2C1)c1cc(-c2ccccc2)on1 ZINC000085560049 217677928 /nfs/dbraw/zinc/67/79/28/217677928.db2.gz GHJUROAESNOHKM-NRFANRHFSA-N 0 0 348.402 2.991 50 0 EFAARN Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000085594544 217680358 /nfs/dbraw/zinc/68/03/58/217680358.db2.gz 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218640970 /nfs/dbraw/zinc/64/09/70/218640970.db2.gz ZHGQDMOGNLKFRY-UHFFFAOYSA-N 0 0 330.392 2.509 50 0 EFAARN Cc1c(Cl)c(C(=O)NC[C@@H]2CCOc3ccccc3C2)nn1C ZINC000096179572 218641319 /nfs/dbraw/zinc/64/13/19/218641319.db2.gz ATOVRHGSTYGGJT-GFCCVEGCSA-N 0 0 333.819 2.753 50 0 EFAARN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)n1nnc2ccccc2c1=O ZINC000006658888 210672138 /nfs/dbraw/zinc/67/21/38/210672138.db2.gz YFILNSPITDYNPE-OAHLLOKOSA-N 0 0 344.321 2.660 50 0 EFAARN CCn1c(SCC(=O)OC)nnc1-c1ccc(Br)o1 ZINC000006731009 210694165 /nfs/dbraw/zinc/69/41/65/210694165.db2.gz NHGFULSFJZWPQA-UHFFFAOYSA-N 0 0 346.206 2.586 50 0 EFAARN COc1ccc2c(ccn2CC(=O)NCCn2cnc3ccccc32)c1 ZINC000096223767 218698723 /nfs/dbraw/zinc/69/87/23/218698723.db2.gz XQGHYXBWLFNLPD-UHFFFAOYSA-N 0 0 348.406 2.816 50 0 EFAARN O=C(c1n[nH]c2c1CCCCC2)N1CCO[C@H](c2ccccc2)C1 ZINC000096223170 218699041 /nfs/dbraw/zinc/69/90/41/218699041.db2.gz YZCYLLNGFDXZMN-KRWDZBQOSA-N 0 0 325.412 2.892 50 0 EFAARN CCOc1cccc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)c1 ZINC000006351587 210622301 /nfs/dbraw/zinc/62/23/01/210622301.db2.gz KAWVZWJWZJFICX-CQSZACIVSA-N 0 0 334.269 2.506 50 0 EFAARN COc1ccc2c(ccn2CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000096343850 218744418 /nfs/dbraw/zinc/74/44/18/218744418.db2.gz BOUVCCVVUXMFJW-OXQOHEQNSA-N 0 0 342.439 2.804 50 0 biogenic EFAARN Cc1cccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)c1C ZINC000096345556 218745321 /nfs/dbraw/zinc/74/53/21/218745321.db2.gz FZQMNLNSDWYFKU-UHFFFAOYSA-N 0 0 325.412 2.768 50 0 EFAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1NCCO ZINC000006084403 210586225 /nfs/dbraw/zinc/58/62/25/210586225.db2.gz NKZNHXDYXVFVJQ-UHFFFAOYSA-N 0 0 325.290 2.757 50 0 EFAARN Cc1ccc(OC2CCN(C(=O)/C=C/c3cccs3)CC2)nn1 ZINC000096355481 218745855 /nfs/dbraw/zinc/74/58/55/218745855.db2.gz DSXIQECPFHQIFZ-FNORWQNLSA-N 0 0 329.425 2.930 50 0 EFAARN O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(-n2cccc2)cc1 ZINC000153107620 224058999 /nfs/dbraw/zinc/05/89/99/224058999.db2.gz DFIYBQJYSGSJGJ-KRWDZBQOSA-N 0 0 332.407 2.881 50 0 EFAARN O=C1[C@@H]2C[C@@H](CN2c2ncnc3c2CCC3)N1c1cccc(Cl)c1 ZINC000077542242 284987857 /nfs/dbraw/zinc/98/78/57/284987857.db2.gz ARRJUPSGZKWUTH-BBRMVZONSA-N 0 0 340.814 2.613 50 0 EFAARN O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000000049205 285011486 /nfs/dbraw/zinc/01/14/86/285011486.db2.gz UWVIIQZWSWCHPA-BKUVIOGVSA-N 0 0 343.688 2.802 50 0 EFAARN O=C1C[C@@H](c2ccccc2Cl)c2c(=O)n3ccccc3nc2O1 ZINC000096224194 296345026 /nfs/dbraw/zinc/34/50/26/296345026.db2.gz IDBSCLQXMDCVGW-NSHDSACASA-N 0 0 326.739 2.789 50 0 EFAARN O=C1c2ccccc2[C@H]2N1c1ccccc1C(=O)N2C[C@H]1CCCO1 ZINC000012818342 285026322 /nfs/dbraw/zinc/02/63/22/285026322.db2.gz YHMDBRFUOUAQHI-FZKQIMNGSA-N 0 0 334.375 2.980 50 0 biogenic EFAARN O=C1c2ccccc2[C@](O)(c2ncc[nH]2)N1c1ccc(Cl)cc1 ZINC000018191873 285026688 /nfs/dbraw/zinc/02/66/88/285026688.db2.gz LYJGJMIQEVLCBP-KRWDZBQOSA-N 0 0 325.755 2.917 50 0 EFAARN O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000004577771 296350732 /nfs/dbraw/zinc/35/07/32/296350732.db2.gz GDLCPBKSWGLXRT-SUMWQHHRSA-N 0 0 343.404 2.629 50 0 EFAARN O=C(COc1ccccc1F)Nc1ccc(N2CCCC2=O)cc1 ZINC000005439881 210463779 /nfs/dbraw/zinc/46/37/79/210463779.db2.gz FHPKPYZEBNLHIU-UHFFFAOYSA-N 0 0 328.343 2.970 50 0 EFAARN COc1cc2[nH]c(C(=O)NCc3cccnc3)cc2c(OC)c1OC ZINC000005345675 210444157 /nfs/dbraw/zinc/44/41/57/210444157.db2.gz ICEKHISFWDCBCC-UHFFFAOYSA-N 0 0 341.367 2.519 50 0 EFAARN Cc1cc(OCC(=O)NC2CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005303276 210435028 /nfs/dbraw/zinc/43/50/28/210435028.db2.gz MAPXMEIKEPMLQU-UHFFFAOYSA-N 0 0 327.380 2.638 50 0 EFAARN COc1ccc(N2C[C@H](NC(=O)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000005195327 210410698 /nfs/dbraw/zinc/41/06/98/210410698.db2.gz GJQDJGWFVPXZLG-CQSZACIVSA-N 0 0 344.798 2.884 50 0 EFAARN COc1ccc(NC(=O)COC(=O)Cc2ccccc2C)c(OC)c1 ZINC000005086203 210385818 /nfs/dbraw/zinc/38/58/18/210385818.db2.gz HLPIYZXUIHUGJE-UHFFFAOYSA-N 0 0 343.379 2.737 50 0 EFAARN COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 ZINC000005077630 210385099 /nfs/dbraw/zinc/38/50/99/210385099.db2.gz JWYRTTHCUQGSRI-UHFFFAOYSA-N 0 0 347.754 2.922 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1NC(C)=O ZINC000005126375 210395574 /nfs/dbraw/zinc/39/55/74/210395574.db2.gz VSFZHSHFBYFYHW-UHFFFAOYSA-N 0 0 338.360 2.594 50 0 EFAARN COc1ccc(NC(=O)CSc2nc3cccnc3[nH]2)c(OC)c1 ZINC000005126595 210394448 /nfs/dbraw/zinc/39/44/48/210394448.db2.gz WZVKKFKFRDKWBJ-UHFFFAOYSA-N 0 0 344.396 2.706 50 0 EFAARN Cc1cc(C)cc(-n2nnc3c2ncn(Cc2ccc(F)cc2)c3=O)c1 ZINC000005057290 210377196 /nfs/dbraw/zinc/37/71/96/210377196.db2.gz JNNDAZUZIYYEDH-UHFFFAOYSA-N 0 0 349.369 2.781 50 0 EFAARN Nc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccc(F)cc1 ZINC000005043251 210373380 /nfs/dbraw/zinc/37/33/80/210373380.db2.gz VEXOLIKBCUXWTH-UHFFFAOYSA-N 0 0 340.293 2.845 50 0 EFAARN COC(=O)/C(=C\OCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000005037764 210371332 /nfs/dbraw/zinc/37/13/32/210371332.db2.gz OXFSZXDKFIPLIZ-FOWTUZBSSA-N 0 0 337.331 2.514 50 0 EFAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-n2cnnn2)cc1 ZINC000005034623 210370033 /nfs/dbraw/zinc/37/00/33/210370033.db2.gz UWFCIQWBBPKRRI-UHFFFAOYSA-N 0 0 333.273 2.933 50 0 EFAARN COCCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 ZINC000005027878 210366333 /nfs/dbraw/zinc/36/63/33/210366333.db2.gz FBEQDQCQAGCCFX-SNVBAGLBSA-N 0 0 339.442 2.683 50 0 EFAARN CCCOc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000005050179 210374714 /nfs/dbraw/zinc/37/47/14/210374714.db2.gz MCQZEPHIUSDXNB-UHFFFAOYSA-N 0 0 326.396 2.773 50 0 EFAARN Cn1c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000005016637 210362751 /nfs/dbraw/zinc/36/27/51/210362751.db2.gz BPQOFMLBBBFSAC-UHFFFAOYSA-N 0 0 345.786 2.548 50 0 EFAARN O=C(CCn1c(=O)sc2ccccc21)NCCc1ccccc1 ZINC000005014930 210362427 /nfs/dbraw/zinc/36/24/27/210362427.db2.gz PRKWPGLOMSZMFX-UHFFFAOYSA-N 0 0 326.421 2.812 50 0 EFAARN Cc1nnc2sc(-c3ccccc3NC(=O)c3cccnc3)nn12 ZINC000005008244 210361091 /nfs/dbraw/zinc/36/10/91/210361091.db2.gz NCJYKLNYLYNUNC-UHFFFAOYSA-N 0 0 336.380 2.809 50 0 EFAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 ZINC000005012093 210359741 /nfs/dbraw/zinc/35/97/41/210359741.db2.gz YROXOFAYZMJEKE-UHFFFAOYSA-N 0 0 331.397 2.582 50 0 EFAARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccc2n[nH]nc21 ZINC000097155609 218975756 /nfs/dbraw/zinc/97/57/56/218975756.db2.gz UFICYQDRUJKXRQ-UHFFFAOYSA-N 0 0 327.392 2.642 50 0 EFAARN CCOc1ccccc1CN1c2ccccc2[C@](O)(CC(C)=O)C1=O ZINC000004987771 210351451 /nfs/dbraw/zinc/35/14/51/210351451.db2.gz UAORNAFOKKQHOR-HXUWFJFHSA-N 0 0 339.391 2.799 50 0 EFAARN Cc1cc(C)n([C@@H](C)CNS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000004988253 210351178 /nfs/dbraw/zinc/35/11/78/210351178.db2.gz WEOISPQFBGUSRW-LBPRGKRZSA-N 0 0 327.837 2.693 50 0 EFAARN Cc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000004986809 210350769 /nfs/dbraw/zinc/35/07/69/210350769.db2.gz CJYBNXXVVSDYIN-ZBFHGGJFSA-N 0 0 329.396 2.595 50 0 EFAARN COc1ccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2N)cc1 ZINC000004985024 210350007 /nfs/dbraw/zinc/35/00/07/210350007.db2.gz HSGPLMGMQCFMEL-UHFFFAOYSA-N 0 0 343.774 2.764 50 0 EFAARN O=C(NC1CCCCC1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000004976024 210346879 /nfs/dbraw/zinc/34/68/79/210346879.db2.gz SYSIAXWCVZMVIC-HNNXBMFYSA-N 0 0 332.419 2.666 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1 ZINC000004956610 210339249 /nfs/dbraw/zinc/33/92/49/210339249.db2.gz CIGBAAPQRKVEDV-UHFFFAOYSA-N 0 0 335.454 2.800 50 0 EFAARN O=C(CSC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1 ZINC000004958835 210338770 /nfs/dbraw/zinc/33/87/70/210338770.db2.gz AGHRALKGLMEALT-UHFFFAOYSA-N 0 0 332.406 2.507 50 0 EFAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccncc3)CC2=O)cc1Cl ZINC000004973379 210345234 /nfs/dbraw/zinc/34/52/34/210345234.db2.gz JESVOAAQRADXTR-AWEZNQCLSA-N 0 0 343.814 2.713 50 0 EFAARN COc1ccc(-n2nnc(C(=O)Nc3cccc(OC)c3)c2C)cc1 ZINC000004938447 210330378 /nfs/dbraw/zinc/33/03/78/210330378.db2.gz DSMGKSYHDDOHDE-UHFFFAOYSA-N 0 0 338.367 2.845 50 0 EFAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1C ZINC000004937469 210330111 /nfs/dbraw/zinc/33/01/11/210330111.db2.gz UMAOKBATIIYKKA-ZDUSSCGKSA-N 0 0 345.468 2.817 50 0 EFAARN Nc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1Cc1ccc(F)cc1 ZINC000004934004 210328710 /nfs/dbraw/zinc/32/87/10/210328710.db2.gz FVWOLSIMKQNFRK-UHFFFAOYSA-N 0 0 347.300 2.578 50 0 EFAARN COc1ccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)cc1OC ZINC000004945060 210335298 /nfs/dbraw/zinc/33/52/98/210335298.db2.gz ZUGPETXNTJRWRW-UHFFFAOYSA-N 0 0 341.319 2.798 50 0 EFAARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)CC(=O)N2 ZINC000004944362 210335045 /nfs/dbraw/zinc/33/50/45/210335045.db2.gz KSWBNVSYNXBXGM-GFCCVEGCSA-N 0 0 345.424 2.755 50 0 EFAARN Cc1ccc(-c2noc(CN(C(=O)N3CCOCC3)C(C)C)n2)cc1 ZINC000004942786 210334843 /nfs/dbraw/zinc/33/48/43/210334843.db2.gz TZTFQGXGRFMCNQ-UHFFFAOYSA-N 0 0 344.415 2.708 50 0 EFAARN C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1 ZINC000004942780 210334403 /nfs/dbraw/zinc/33/44/03/210334403.db2.gz JLZLSAYURDVGSD-JSGCOSHPSA-N 0 0 330.359 2.669 50 0 EFAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000003505470 208561837 /nfs/dbraw/zinc/56/18/37/208561837.db2.gz YWQUBYJNJKTMKY-UHFFFAOYSA-N 0 0 349.818 2.842 50 0 EFAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Cl ZINC000003507411 208562598 /nfs/dbraw/zinc/56/25/98/208562598.db2.gz RAQNFASFAWSXJB-UHFFFAOYSA-N 0 0 347.754 2.922 50 0 EFAARN Cc1c(Cl)ccc(S(=O)(=O)NCCCn2ccnc2)c1Cl ZINC000004908571 210319296 /nfs/dbraw/zinc/31/92/96/210319296.db2.gz SYRJGKHYZKRLSR-UHFFFAOYSA-N 0 0 348.255 2.867 50 0 EFAARN CSCc1nc(CNC(=O)c2cnc(C3CC3)nc2C)cs1 ZINC000097307456 219011205 /nfs/dbraw/zinc/01/12/05/219011205.db2.gz MGDDFYKQMALVEX-UHFFFAOYSA-N 0 0 334.470 2.912 50 0 EFAARN Nc1c(C(=O)NCc2cccs2)nnn1Cc1ccc(Cl)cc1 ZINC000004852269 210300677 /nfs/dbraw/zinc/30/06/77/210300677.db2.gz GSQQPRZXZKSPPY-UHFFFAOYSA-N 0 0 347.831 2.554 50 0 EFAARN Cc1ccc(C)c(Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c1 ZINC000004852582 210300696 /nfs/dbraw/zinc/30/06/96/210300696.db2.gz ONDZDJDQFKBUFN-UHFFFAOYSA-N 0 0 339.374 2.917 50 0 EFAARN O=C(NC[C@@H](CO)Cc1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000097323986 219011670 /nfs/dbraw/zinc/01/16/70/219011670.db2.gz PNMYLYNHJQXYKD-AWEZNQCLSA-N 0 0 341.436 2.515 50 0 EFAARN Nc1c(C(=O)Nc2cccc(Cl)c2)nnn1Cc1cccc(F)c1 ZINC000004852525 210300173 /nfs/dbraw/zinc/30/01/73/210300173.db2.gz ROJRMFGFIUIRFY-UHFFFAOYSA-N 0 0 345.765 2.953 50 0 EFAARN O=C(CCS(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004845794 210298173 /nfs/dbraw/zinc/29/81/73/210298173.db2.gz HFRYWCYINLZLNM-UHFFFAOYSA-N 0 0 347.480 2.935 50 0 EFAARN COc1ccccc1-n1cc(CN(Cc2cnn(C)c2)C2CC2)cn1 ZINC000097243673 219004489 /nfs/dbraw/zinc/00/44/89/219004489.db2.gz MVQSZYNYWBHQQM-UHFFFAOYSA-N 0 0 337.427 2.779 50 0 EFAARN CCOc1ccc(Br)cc1C(=O)NC[C@@H]1CCCO1 ZINC000004869396 210308845 /nfs/dbraw/zinc/30/88/45/210308845.db2.gz VOGCNGZRBAXCGR-NSHDSACASA-N 0 0 328.206 2.757 50 0 EFAARN COc1ccc(-c2noc(CNC(=O)Cc3ccc(C)cc3)n2)cc1 ZINC000004868317 210308294 /nfs/dbraw/zinc/30/82/94/210308294.db2.gz LRNMZNGLYHFVFW-UHFFFAOYSA-N 0 0 337.379 2.913 50 0 EFAARN COC(C)(C)[C@]12C[C@@](O)(c3ccccc3)ON1[C@H]1CCCC[C@H]1N2O ZINC000004863239 210304701 /nfs/dbraw/zinc/30/47/01/210304701.db2.gz ZQPPYACZMBGYHZ-NEPXVJNWSA-N 0 0 348.443 2.606 50 0 EFAARN Cc1nc2c(NC(=O)NCc3cc(CC(C)C)no3)cccn2n1 ZINC000097272573 219008160 /nfs/dbraw/zinc/00/81/60/219008160.db2.gz FRLGBDJVACCWLV-UHFFFAOYSA-N 0 0 328.376 2.546 50 0 EFAARN CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 ZINC000004815912 210286529 /nfs/dbraw/zinc/28/65/29/210286529.db2.gz XUACQVYUUDJLOX-SNVBAGLBSA-N 0 0 348.403 2.621 50 0 EFAARN CCOC(=O)N1CCN(C(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC000004842021 210296765 /nfs/dbraw/zinc/29/67/65/210296765.db2.gz NJZBSYOFUWFUEG-UHFFFAOYSA-N 0 0 334.416 2.636 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1cn2ccc(C)cc2n1 ZINC000097360079 219014548 /nfs/dbraw/zinc/01/45/48/219014548.db2.gz MGCAMUZDWIRZIX-UHFFFAOYSA-N 0 0 341.415 2.887 50 0 EFAARN CCS(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cccc2F)cc1 ZINC000004842581 210295702 /nfs/dbraw/zinc/29/57/02/210295702.db2.gz DMUQARRWNGWYKX-UHFFFAOYSA-N 0 0 340.351 2.979 50 0 EFAARN COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000004840670 210295392 /nfs/dbraw/zinc/29/53/92/210295392.db2.gz SKTKPISBMFYRFQ-UHFFFAOYSA-N 0 0 332.787 2.912 50 0 EFAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N(Cc1cocn1)Cc1cocn1 ZINC000097370470 219015896 /nfs/dbraw/zinc/01/58/96/219015896.db2.gz LYHXOQRUVVCGGU-UHFFFAOYSA-N 0 0 349.350 2.895 50 0 EFAARN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OC)c2)cc1 ZINC000004841006 210294555 /nfs/dbraw/zinc/29/45/55/210294555.db2.gz XFPNFLXOOPFMKE-UHFFFAOYSA-N 0 0 334.397 2.709 50 0 EFAARN O=C(CSCc1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000004828845 210290574 /nfs/dbraw/zinc/29/05/74/210290574.db2.gz OOBIAQMTMLORKX-CYBMUJFWSA-N 0 0 344.274 2.978 50 0 EFAARN CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000004816401 210286932 /nfs/dbraw/zinc/28/69/32/210286932.db2.gz AVYIQOQMAIKONC-LSDHHAIUSA-N 0 0 340.489 2.763 50 0 EFAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2cc[nH]c2c1 ZINC000097531605 219034596 /nfs/dbraw/zinc/03/45/96/219034596.db2.gz NDGRHWPSMKHXHS-MRXNPFEDSA-N 0 0 348.362 2.897 50 0 EFAARN CN(CC[C@@H](O)c1ccccc1)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000097447027 219025335 /nfs/dbraw/zinc/02/53/35/219025335.db2.gz MKOKUWFCNIAJAX-GOSISDBHSA-N 0 0 336.391 2.724 50 0 EFAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C)CC1 ZINC000004814852 210284851 /nfs/dbraw/zinc/28/48/51/210284851.db2.gz IKXFXTVQKZLTCA-UHFFFAOYSA-N 0 0 329.400 2.625 50 0 EFAARN Cc1cccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000097463510 219025847 /nfs/dbraw/zinc/02/58/47/219025847.db2.gz GYRHRRDCWCPTHJ-UHFFFAOYSA-N 0 0 343.378 2.583 50 0 EFAARN COCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000004815000 210284428 /nfs/dbraw/zinc/28/44/28/210284428.db2.gz AZTUAQHCSKSSLY-ROUUACIJSA-N 0 0 348.406 2.992 50 0 EFAARN COc1ccccc1OCCCn1c(CNC=O)nc2ccccc21 ZINC000004810263 210283407 /nfs/dbraw/zinc/28/34/07/210283407.db2.gz SYUSAWIXDRVILP-UHFFFAOYSA-N 0 0 339.395 2.760 50 0 EFAARN OCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000004809686 210283445 /nfs/dbraw/zinc/28/34/45/210283445.db2.gz QGNOLFMCZYEVSI-CYBMUJFWSA-N 0 0 332.787 2.622 50 0 EFAARN COCCN(Cc1ccc(C)cc1)C(=O)c1c(C)nc2ncccn21 ZINC000097463696 219026680 /nfs/dbraw/zinc/02/66/80/219026680.db2.gz JLKPHRJGJVGCPD-UHFFFAOYSA-N 0 0 338.411 2.635 50 0 EFAARN CC(C)C[C@@H](O)C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 ZINC000097468337 219027099 /nfs/dbraw/zinc/02/70/99/219027099.db2.gz LWXQPXRGAABJLB-MRXNPFEDSA-N 0 0 331.391 2.508 50 0 EFAARN C[C@H](Cc1ccsc1)NC(=O)c1cc2ccccc2n(C)c1=O ZINC000097495557 219029148 /nfs/dbraw/zinc/02/91/48/219029148.db2.gz GNSWTAKUUJCSDM-GFCCVEGCSA-N 0 0 326.421 2.961 50 0 EFAARN Cc1cccn2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)nc12 ZINC000097480264 219029701 /nfs/dbraw/zinc/02/97/01/219029701.db2.gz USDFWLLPORYDAF-OAHLLOKOSA-N 0 0 325.416 2.684 50 0 EFAARN CCc1[nH]nc(C(=O)N(CCCO)Cc2ccc(Cl)cc2)c1C ZINC000097499460 219030227 /nfs/dbraw/zinc/03/02/27/219030227.db2.gz LXPLKTIXWFVPTB-UHFFFAOYSA-N 0 0 335.835 2.959 50 0 EFAARN O=C(NCc1ccc(Cn2cc(Cl)cn2)cc1)c1cccnc1 ZINC000004785069 210279176 /nfs/dbraw/zinc/27/91/76/210279176.db2.gz QPKLXGGMUGUSPC-UHFFFAOYSA-N 0 0 326.787 2.910 50 0 EFAARN O=C(c1ccnc(-n2cnnc2)c1)N(C/C=C/c1ccccc1)C1CC1 ZINC000097515115 219032342 /nfs/dbraw/zinc/03/23/42/219032342.db2.gz DRLICWKTDSUZFS-QPJJXVBHSA-N 0 0 345.406 2.980 50 0 EFAARN COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000004779425 210277628 /nfs/dbraw/zinc/27/76/28/210277628.db2.gz NYKFSVZBBFTEJX-DHZHZOJOSA-N 0 0 343.404 2.624 50 0 EFAARN Nc1c(C(=O)NCc2ccccc2)sc(=S)n1C[C@@H]1CCCO1 ZINC000004784923 210277645 /nfs/dbraw/zinc/27/76/45/210277645.db2.gz LCFBCUHMGUHAGW-LBPRGKRZSA-N 0 0 349.481 2.970 50 0 EFAARN CC(C)S(=O)(=O)CCNC(=O)Nc1ccc(-c2ccco2)cc1 ZINC000097522307 219032356 /nfs/dbraw/zinc/03/23/56/219032356.db2.gz NKZCXHAVKYAYFO-UHFFFAOYSA-N 0 0 336.413 2.891 50 0 EFAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2[nH]ccc21 ZINC000097531551 219033490 /nfs/dbraw/zinc/03/34/90/219033490.db2.gz UBGLRAXFCOZISR-INIZCTEOSA-N 0 0 348.362 2.897 50 0 EFAARN Cc1ccccc1Cn1nc(C2CCOCC2)nc1C1(CO)CC1 ZINC000097547774 219034069 /nfs/dbraw/zinc/03/40/69/219034069.db2.gz BKMRFRGVMNFUSY-UHFFFAOYSA-N 0 0 327.428 2.553 50 0 EFAARN CN(C)c1ccc(C(=O)N2CCC(c3cccc(O)c3)CC2)cn1 ZINC000097546626 219034119 /nfs/dbraw/zinc/03/41/19/219034119.db2.gz RBBSDGQRNJONIG-UHFFFAOYSA-N 0 0 325.412 2.873 50 0 EFAARN Cn1ccnc1CN(CCO)C(=O)Nc1ccccc1C(C)(C)C ZINC000097546706 219034432 /nfs/dbraw/zinc/03/44/32/219034432.db2.gz QRBUCIHJSFDEIO-UHFFFAOYSA-N 0 0 330.432 2.744 50 0 EFAARN COc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000004751246 210271204 /nfs/dbraw/zinc/27/12/04/210271204.db2.gz OZOZUWAZGHHING-UHFFFAOYSA-N 0 0 326.757 2.929 50 0 EFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](c2ccccc2)C1 ZINC000004751790 210270241 /nfs/dbraw/zinc/27/02/41/210270241.db2.gz HSDUMJQASVXANM-HNNXBMFYSA-N 0 0 345.420 2.636 50 0 EFAARN O=C(c1cccc(-c2cn[nH]c2)c1)N(Cc1cocn1)Cc1cocn1 ZINC000097601150 219040340 /nfs/dbraw/zinc/04/03/40/219040340.db2.gz BUQDKUVRBJDECR-UHFFFAOYSA-N 0 0 349.350 2.895 50 0 EFAARN O=C([C@H]1CC(=O)Nc2ccc(F)cc21)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000097602152 219040362 /nfs/dbraw/zinc/04/03/62/219040362.db2.gz GYMHEAPVJLBQIA-DCIASYOESA-N 0 0 328.387 2.756 50 0 EFAARN Cn1c2ccc(NC(=O)c3ccc4ccccc4n3)cc2n(C)c1=O ZINC000004770085 210274546 /nfs/dbraw/zinc/27/45/46/210274546.db2.gz RLODHECDRFKDCS-UHFFFAOYSA-N 0 0 332.363 2.678 50 0 EFAARN Cc1nnsc1CNC(=O)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000097568963 219035512 /nfs/dbraw/zinc/03/55/12/219035512.db2.gz JHJMZLADWGCHIP-LBPRGKRZSA-N 0 0 332.433 2.721 50 0 EFAARN Cc1noc(C)c1CCC(=O)N1Cc2cnc(CC(C)C)nc2C1 ZINC000097553232 219035521 /nfs/dbraw/zinc/03/55/21/219035521.db2.gz AFBAGLJWOUKDPD-UHFFFAOYSA-N 0 0 328.416 2.755 50 0 EFAARN CCc1n[nH]cc1C(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000097570962 219036284 /nfs/dbraw/zinc/03/62/84/219036284.db2.gz YMLWOHXPGTZRSI-UHFFFAOYSA-N 0 0 327.363 2.774 50 0 EFAARN CN(Cc1ccc2nsnc2c1)C(=O)c1ccc2nccnc2c1 ZINC000097594953 219037153 /nfs/dbraw/zinc/03/71/53/219037153.db2.gz KCSWCZDWYMAQHA-UHFFFAOYSA-N 0 0 335.392 2.907 50 0 EFAARN O=c1[nH]c2c(sc3nc4c(c(C(F)(F)F)c32)CCC4)c(=O)[nH]1 ZINC000004973633 285196899 /nfs/dbraw/zinc/19/68/99/285196899.db2.gz YAERTHOSWOGWBQ-UHFFFAOYSA-N 0 0 327.287 2.746 50 0 EFAARN O=c1c2c(nc3n1C[C@H](O)CS3)-c1ccccc1CC21CCCC1 ZINC000000242599 285207603 /nfs/dbraw/zinc/20/76/03/285207603.db2.gz YTNJEMYCYKTNFQ-ZDUSSCGKSA-N 0 0 340.448 2.745 50 0 EFAARN O=C([O-])c1ccccc1C[N@@H+](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215887707 304269244 /nfs/dbraw/zinc/26/92/44/304269244.db2.gz JJPDLFOOBQVSDZ-KRWDZBQOSA-N 0 0 326.396 2.961 50 0 EFAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1C[C@@H]1OCCc2ccccc21 ZINC000013153854 296417468 /nfs/dbraw/zinc/41/74/68/296417468.db2.gz FLINENSKWZJVQL-PMPSAXMXSA-N 0 0 331.799 2.818 50 0 EFAARN c1ccc([C@H]2O[C@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 ZINC000005666442 257867115 /nfs/dbraw/zinc/86/71/15/257867115.db2.gz IHXGBIRUYZZCIT-RWLNFDPSSA-N 0 0 326.348 2.940 50 0 EFAARN O=C(CC1(Cn2cccc2)CCCCC1)NCCNc1ncccn1 ZINC000524733343 257842848 /nfs/dbraw/zinc/84/28/48/257842848.db2.gz JEDCHGZKLMKVSE-UHFFFAOYSA-N 0 0 341.459 2.847 50 0 EFAARN O=C(c1cccc(Oc2ccccn2)c1)N1CCC2(CC1)OCCO2 ZINC000096122687 257848614 /nfs/dbraw/zinc/84/86/14/257848614.db2.gz QODAZTDJZUPKGO-UHFFFAOYSA-N 0 0 340.379 2.853 50 0 EFAARN Cc1ccc([C@@H](CNC(=O)/C=C/c2cccs2)OCCO)cc1 ZINC000096337614 257848646 /nfs/dbraw/zinc/84/86/46/257848646.db2.gz CJCVCJHMHWMDML-KBOKABMXSA-N 0 0 331.437 2.936 50 0 EFAARN O=C1N(CCCOc2ccccc2)c2ccccc2C12OCCO2 ZINC000008046850 257951404 /nfs/dbraw/zinc/95/14/04/257951404.db2.gz HMPSKDBGZWETFX-UHFFFAOYSA-N 0 0 325.364 2.702 50 0 EFAARN Cc1nc(CNC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cs1 ZINC000426740347 257956391 /nfs/dbraw/zinc/95/63/91/257956391.db2.gz DLORWKYVYVBHNA-INIZCTEOSA-N 0 0 346.456 2.502 50 0 EFAARN CO[C@]12CCN(Cc3nc(C)c[nH]3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426652862 257959771 /nfs/dbraw/zinc/95/97/71/257959771.db2.gz IPWOHOSXXQWUCT-JTDSTZFVSA-N 0 0 342.443 2.704 50 0 EFAARN CO[C@]12CCN(C(=O)c3ccc(C)n3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426624783 257961029 /nfs/dbraw/zinc/96/10/29/257961029.db2.gz PPZBNKIWOLCBKG-IMFGXOCKSA-N 0 0 346.471 2.912 50 0 EFAARN CC[C@@H](NC(=O)CCn1c(C)cccc1=O)c1nc(C)c(C)s1 ZINC000426612312 257961804 /nfs/dbraw/zinc/96/18/04/257961804.db2.gz HFMRPOMKBPVXBS-CQSZACIVSA-N 0 0 333.457 2.888 50 0 EFAARN O=C(NCCCc1nnc2ccccn21)c1cnoc1-c1ccccc1 ZINC000426548403 257963664 /nfs/dbraw/zinc/96/36/64/257963664.db2.gz CGMSIBLHILMXRD-UHFFFAOYSA-N 0 0 347.378 2.747 50 0 EFAARN NC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl ZINC000426438935 257967908 /nfs/dbraw/zinc/96/79/08/257967908.db2.gz TUFZCKMWJWRZJX-LBPRGKRZSA-N 0 0 344.242 2.933 50 0 EFAARN Cn1nccc1CCC(=O)N1CCC[C@H](COc2ccccc2F)C1 ZINC000426434832 257968139 /nfs/dbraw/zinc/96/81/39/257968139.db2.gz KJMVVWIWLYDHQZ-HNNXBMFYSA-N 0 0 345.418 2.809 50 0 EFAARN Cc1nnc(C2CCN(C(=O)c3ccc(-c4cncnc4)cc3)CC2)[nH]1 ZINC000426420405 257968544 /nfs/dbraw/zinc/96/85/44/257968544.db2.gz BEIQFCRGOOWJFS-UHFFFAOYSA-N 0 0 348.410 2.590 50 0 EFAARN CNC(=O)C1(NC(=O)N[C@H](C)c2nc(C)sc2C)CCCCC1 ZINC000426412996 257968968 /nfs/dbraw/zinc/96/89/68/257968968.db2.gz QFZQANZYRWJQNT-SNVBAGLBSA-N 0 0 338.477 2.569 50 0 EFAARN O=C(Nc1ccccc1-n1cnnn1)c1ccc(Br)cc1 ZINC000006592408 257975779 /nfs/dbraw/zinc/97/57/79/257975779.db2.gz YSESMODSZMCYFA-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN CCCC12CN(C(=O)CC)CC(CCC)(CN(C(=O)CC)C1)C2=O ZINC000000308314 258002954 /nfs/dbraw/zinc/00/29/54/258002954.db2.gz JGJJGHRZUSNNSB-UHFFFAOYSA-N 0 0 336.476 2.633 50 0 biogenic EFAARN C[C@H](c1ccccc1)N1CNc2c(c(=O)nc3n2C[C@@H](C)S3)C1 ZINC000102799585 258004185 /nfs/dbraw/zinc/00/41/85/258004185.db2.gz IGLZKEQCKZPVDB-VXGBXAGGSA-N 0 0 328.441 2.684 50 0 EFAARN CCOC(=O)c1ccc(Oc2nc(NC(C)C)nc(N(C)C)n2)cc1 ZINC000001419230 258013758 /nfs/dbraw/zinc/01/37/58/258013758.db2.gz PACIEJXFFJXYTH-UHFFFAOYSA-N 0 0 345.403 2.727 50 0 EFAARN O=c1oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2s1 ZINC000000073638 258047167 /nfs/dbraw/zinc/04/71/67/258047167.db2.gz AWHHFSRPCDUUJR-UHFFFAOYSA-N 0 0 325.342 2.794 50 0 EFAARN COCC1(C(=O)NCc2cc(-c3ccc(OC)cc3)no2)CCC1 ZINC000299773100 258084792 /nfs/dbraw/zinc/08/47/92/258084792.db2.gz DEPUXUJPYQGKML-UHFFFAOYSA-N 0 0 330.384 2.783 50 0 EFAARN CCc1c(C)nn(CCNc2cc([C@H]3CCOC3)nc(C)n2)c1C ZINC000299772672 258084893 /nfs/dbraw/zinc/08/48/93/258084893.db2.gz BDAVAAZCFGESIK-HNNXBMFYSA-N 0 0 329.448 2.777 50 0 EFAARN Cc1ccc(CC2(NC(=O)CCc3c(C)nc(=O)[nH]c3C)CC2)cc1 ZINC000299772956 258085014 /nfs/dbraw/zinc/08/50/14/258085014.db2.gz CCNPLCKWHRGFLI-UHFFFAOYSA-N 0 0 339.439 2.932 50 0 EFAARN CCOc1cccc(NC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c1 ZINC000299772356 258085081 /nfs/dbraw/zinc/08/50/81/258085081.db2.gz ZKGGTLYKFGXAFW-QGZVFWFLSA-N 0 0 333.388 2.534 50 0 EFAARN Cc1cccc(C)c1CN1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299773663 258085262 /nfs/dbraw/zinc/08/52/62/258085262.db2.gz GWCOYYVCJWVXQS-UHFFFAOYSA-N 0 0 348.454 2.918 50 0 EFAARN O=C(N[C@@H]1COC2(C1)CCCCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000299773388 258085350 /nfs/dbraw/zinc/08/53/50/258085350.db2.gz GSIUMDGAOWFVPS-LBPRGKRZSA-N 0 0 327.384 2.557 50 0 EFAARN COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c(F)c1 ZINC000299773265 258085504 /nfs/dbraw/zinc/08/55/04/258085504.db2.gz CCKNRNKABHJECR-QANKJYHBSA-N 0 0 337.391 2.633 50 0 EFAARN CCCc1nnc(NC(=O)CN(C)Cc2cc(C(C)C)no2)s1 ZINC000299775643 258085778 /nfs/dbraw/zinc/08/57/78/258085778.db2.gz LTGJXHDOBNXNRR-UHFFFAOYSA-N 0 0 337.449 2.673 50 0 EFAARN CCCN1C[C@@H](NC(=O)Nc2cccc(-n3cccc3)c2C)CC1=O ZINC000299775595 258085821 /nfs/dbraw/zinc/08/58/21/258085821.db2.gz KUIDMWWVBXHLFU-HNNXBMFYSA-N 0 0 340.427 2.918 50 0 EFAARN O=C(NCc1nc2ccccc2s1)[C@H]1CC(=O)OC12CCCC2 ZINC000299775610 258085829 /nfs/dbraw/zinc/08/58/29/258085829.db2.gz LATQLEVAGLJTOA-LLVKDONJSA-N 0 0 330.409 2.788 50 0 EFAARN CC(C)[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ncnn1C ZINC000299777170 258087036 /nfs/dbraw/zinc/08/70/36/258087036.db2.gz AOUMLSRCXZSOQZ-CQSZACIVSA-N 0 0 340.349 2.890 50 0 EFAARN Cc1nccn1[C@H](C)CC(=O)N1CCC(Oc2cccnc2)CC1 ZINC000299776953 258087056 /nfs/dbraw/zinc/08/70/56/258087056.db2.gz IUFDIXMKCMODEK-CQSZACIVSA-N 0 0 328.416 2.608 50 0 EFAARN CCn1nc(C)c(NC(=O)NCCSc2nnc(C)s2)c1C ZINC000299777000 258087082 /nfs/dbraw/zinc/08/70/82/258087082.db2.gz JASZQXBYYWQSLS-UHFFFAOYSA-N 0 0 340.478 2.594 50 0 EFAARN COc1cccc(OC[C@H]2CCCN(C(=O)c3c(C)ncn3C)C2)c1 ZINC000299778139 258087506 /nfs/dbraw/zinc/08/75/06/258087506.db2.gz OZQIGYLGGPCJGE-HNNXBMFYSA-N 0 0 343.427 2.668 50 0 EFAARN CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1nccn1C ZINC000299778426 258088110 /nfs/dbraw/zinc/08/81/10/258088110.db2.gz HICNJMCYEOOEBB-HNNXBMFYSA-N 0 0 330.388 2.710 50 0 EFAARN COc1cc(OC)c(C(=O)N[C@@H](c2nccn2C)C(C)C)cc1OC ZINC000299779150 258088487 /nfs/dbraw/zinc/08/84/87/258088487.db2.gz SQVUQZSQBONXTL-MRXNPFEDSA-N 0 0 347.415 2.573 50 0 EFAARN CO[C@]12CC[N@H+](Cc3ccc(C)c(C)c3)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299778655 258088596 /nfs/dbraw/zinc/08/85/96/258088596.db2.gz 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/nfs/dbraw/zinc/29/69/37/276296937.db2.gz IMVMUBQALJUYCX-SFHVURJKSA-N 0 0 340.423 2.718 50 0 EFAARN CCOc1ccc([C@@H]2CC(=O)NCc3nc4cc(C)ccn4c32)cn1 ZINC000065376091 276376275 /nfs/dbraw/zinc/37/62/75/276376275.db2.gz XQQPKYPGWFKSAI-AWEZNQCLSA-N 0 0 336.395 2.588 50 0 EFAARN CCn1c(=O)c2cc(I)ccc2nc1SC ZINC000004899382 276708979 /nfs/dbraw/zinc/70/89/79/276708979.db2.gz RNEZKBDOEDVKLY-UHFFFAOYSA-N 0 0 346.193 2.743 50 0 EFAARN CC(=O)NCCOc1cccc2c1N(C(=O)c1cccs1)CCC2 ZINC000012364289 277033555 /nfs/dbraw/zinc/03/35/55/277033555.db2.gz BDHYENYURLFECT-UHFFFAOYSA-N 0 0 344.436 2.856 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000002709888 277079403 /nfs/dbraw/zinc/07/94/03/277079403.db2.gz SZALFQVERPOVRU-LJQANCHMSA-N 0 0 338.363 2.755 50 0 EFAARN COCCN1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 ZINC000057156122 277227697 /nfs/dbraw/zinc/22/76/97/277227697.db2.gz XYEXJRIZRQKFNU-UHFFFAOYSA-N 0 0 335.787 2.733 50 0 EFAARN CC(C)(C)c1cc(CN2CCc3nc[nH]c3[C@H]2c2ccncc2)[nH]n1 ZINC000067909268 277265265 /nfs/dbraw/zinc/26/52/65/277265265.db2.gz DECGQHIDFROLQD-GOSISDBHSA-N 0 0 336.443 2.973 50 0 EFAARN CNc1ccnc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n1 ZINC000067955290 277303520 /nfs/dbraw/zinc/30/35/20/277303520.db2.gz KOBWUSPCTKFHOG-SFHVURJKSA-N 0 0 348.397 2.618 50 0 EFAARN CC(C)C(=O)NC(=S)Nc1ccc(I)cc1 ZINC000002137018 277332415 /nfs/dbraw/zinc/33/24/15/277332415.db2.gz HVIUAOAVPWBOHM-UHFFFAOYSA-N 0 0 348.209 2.760 50 0 EFAARN CC(C)CC(=O)C(=O)N1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012112065 277341924 /nfs/dbraw/zinc/34/19/24/277341924.db2.gz SILQSVJUSSQWTM-IBGZPJMESA-N 0 0 335.419 2.585 50 0 EFAARN CC(C)CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000004029614 277382427 /nfs/dbraw/zinc/38/24/27/277382427.db2.gz VGYZSDFHGSLSIB-INIZCTEOSA-N 0 0 339.439 2.655 50 0 biogenic EFAARN COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O ZINC000004488801 277388062 /nfs/dbraw/zinc/38/80/62/277388062.db2.gz SEQIQDJLKWRKKQ-NSHDSACASA-N 0 0 327.336 2.646 50 0 EFAARN COc1cc([C@H]2SCC(=O)Nc3c2cnn3C)cc2c1OCCO2 ZINC000049546707 277389032 /nfs/dbraw/zinc/38/90/32/277389032.db2.gz ICSDJMJVVPIUNA-OAHLLOKOSA-N 0 0 347.396 2.624 50 0 EFAARN COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000016806413 277400987 /nfs/dbraw/zinc/40/09/87/277400987.db2.gz XGYVCXIYGNLGKM-OAHLLOKOSA-N 0 0 331.755 2.921 50 0 EFAARN CC(C)NC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000096224290 277653969 /nfs/dbraw/zinc/65/39/69/277653969.db2.gz AALWXZMNRJXXRS-UHFFFAOYSA-N 0 0 327.409 2.718 50 0 EFAARN COc1cc2[nH]c3c(ncnc3N3CCSCC3)c2cc1OC ZINC000000522034 277841043 /nfs/dbraw/zinc/84/10/43/277841043.db2.gz URVSHFBFFLLIIJ-UHFFFAOYSA-N 0 0 330.413 2.682 50 0 EFAARN COc1ccc(-c2nn3c(nc4ccccc4c3=O)s2)cc1OC ZINC000017071091 277862718 /nfs/dbraw/zinc/86/27/18/277862718.db2.gz RMHZSMXPFLULIV-UHFFFAOYSA-N 0 0 339.376 2.988 50 0 EFAARN CC(C)c1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1 ZINC000000199490 278021377 /nfs/dbraw/zinc/02/13/77/278021377.db2.gz MDGPWVITMXMTKJ-MHWRWJLKSA-N 0 0 348.431 2.884 50 0 EFAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCOCC1 ZINC000003063576 278044238 /nfs/dbraw/zinc/04/42/38/278044238.db2.gz ZZOADEUFAMRFIJ-UHFFFAOYSA-N 0 0 338.411 2.858 50 0 EFAARN COc1ccccc1-n1c2nncn2c2sc3c(c2c1=O)CCC3 ZINC000000091324 278044886 /nfs/dbraw/zinc/04/48/86/278044886.db2.gz XQKCMKOYKGUIOY-UHFFFAOYSA-N 0 0 338.392 2.592 50 0 EFAARN COc1ccccc1NC(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000000132461 278058225 /nfs/dbraw/zinc/05/82/25/278058225.db2.gz OCRIRSFVQHBXKP-UHFFFAOYSA-N 0 0 329.381 2.564 50 0 EFAARN COc1coc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1=O ZINC000091965992 278077407 /nfs/dbraw/zinc/07/74/07/278077407.db2.gz SXBPDDOOUJUSNP-LJQANCHMSA-N 0 0 327.380 2.842 50 0 EFAARN C[C@@H]1c2cccn2CCN1C(=O)c1ccccc1N1CCOCC1 ZINC000065425775 278110460 /nfs/dbraw/zinc/11/04/60/278110460.db2.gz GLSHPKQYLSMLGX-OAHLLOKOSA-N 0 0 325.412 2.542 50 0 EFAARN CC(C)n1nc(CC(=O)Nc2nccs2)c2ccccc2c1=O ZINC000072401160 278142073 /nfs/dbraw/zinc/14/20/73/278142073.db2.gz BTMIFLMTMMAHHP-UHFFFAOYSA-N 0 0 328.397 2.615 50 0 EFAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCOCC1 ZINC000003878594 278241458 /nfs/dbraw/zinc/24/14/58/278241458.db2.gz VPCBXLDOGINCET-UHFFFAOYSA-N 0 0 329.425 2.949 50 0 EFAARN CC1(C)Cc2c(sc3[nH]c(CN4CCCCC4)nc(=O)c23)CO1 ZINC000040266350 278394879 /nfs/dbraw/zinc/39/48/79/278394879.db2.gz WGFYKAGUJZFKHK-UHFFFAOYSA-N 0 0 333.457 2.822 50 0 EFAARN Cc1cc(C)n2c(nnc2C(=O)N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000092098148 278679220 /nfs/dbraw/zinc/67/92/20/278679220.db2.gz VKWMHXRBFIFOEB-HXUWFJFHSA-N 0 0 349.438 2.935 50 0 EFAARN CC(C)CC(=O)N1CCC2(CC[C@H](CNC(=O)C(C)(C)C)O2)CC1 ZINC000011980770 278714357 /nfs/dbraw/zinc/71/43/57/278714357.db2.gz QKWSDFBAXDZDAD-OAHLLOKOSA-N 0 0 338.492 2.735 50 0 EFAARN Cc1ccc([C@@H]2C(S(C)(=O)=O)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000019830665 278846343 /nfs/dbraw/zinc/84/63/43/278846343.db2.gz HZWWJFMIPTVGNF-OAHLLOKOSA-N 0 0 343.404 2.897 50 0 EFAARN C[C@@H]1Cc2cc(/C=c3\sc4nc5ccccc5n4c3=O)ccc2O1 ZINC000005898611 279010699 /nfs/dbraw/zinc/01/06/99/279010699.db2.gz ISAHQXPFLOCIQD-VBYYMIJXSA-N 0 0 334.400 2.780 50 0 EFAARN Cc1nc2ccccn2c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000004376076 279131431 /nfs/dbraw/zinc/13/14/31/279131431.db2.gz DBSDHPMGLUFQJV-UHFFFAOYSA-N 0 0 348.156 2.611 50 0 EFAARN Cc1nc2ccsc2c(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n1 ZINC000091391236 279132033 /nfs/dbraw/zinc/13/20/33/279132033.db2.gz OQBPYEYLSOGTIV-QWHCGFSZSA-N 0 0 338.436 2.785 50 0 EFAARN Cc1nc2ncc3c(ccn(-c4ccccc4C(F)(F)F)c3=O)n2n1 ZINC000030875084 279144907 /nfs/dbraw/zinc/14/49/07/279144907.db2.gz GOAHNFRGMKOBNR-UHFFFAOYSA-N 0 0 345.284 2.756 50 0 EFAARN Cc1nn(C)c(C)c1CN(C(=O)[C@@H]1COc2ccccc2C1)C1CC1 ZINC000091950603 279190637 /nfs/dbraw/zinc/19/06/37/279190637.db2.gz MRGGFKCKUFMHAX-INIZCTEOSA-N 0 0 339.439 2.779 50 0 EFAARN Cn1c2ccccc2nc(-c2cc(Br)ccc2N)c1=O ZINC000000495008 279320754 /nfs/dbraw/zinc/32/07/54/279320754.db2.gz JBCYGVPTPDCNBG-UHFFFAOYSA-N 0 0 330.185 2.945 50 0 EFAARN CCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc54)C(=O)[C@H]13)O2 ZINC000000488898 279601235 /nfs/dbraw/zinc/60/12/35/279601235.db2.gz DFMFJVRJOLJABR-DCXXXQMHSA-N 0 0 349.386 2.689 50 0 biogenic EFAARN O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)[C@H]1CCCO1 ZINC000001065966 280023680 /nfs/dbraw/zinc/02/36/80/280023680.db2.gz LCIZNURUWMASGP-MRXNPFEDSA-N 0 0 342.395 2.733 50 0 EFAARN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cnc(-c2ccco2)nc1 ZINC000216178973 280071890 /nfs/dbraw/zinc/07/18/90/280071890.db2.gz NZKJONVMGZZCQP-INIZCTEOSA-N 0 0 335.363 2.748 50 0 EFAARN CC(C)[C@H](C(=O)N1CCC2(CN(C)C(=O)O2)CC1)c1ccccc1 ZINC000077338482 280143179 /nfs/dbraw/zinc/14/31/79/280143179.db2.gz VDZJQUGQGMFBTJ-INIZCTEOSA-N 0 0 330.428 2.869 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000002477537 280175659 /nfs/dbraw/zinc/17/56/59/280175659.db2.gz CLQPEZWMMZFTBG-CRJCFHLZSA-N 0 0 337.297 2.928 50 0 EFAARN O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCC[C@H]1c1ccccc1 ZINC000096152022 280226624 /nfs/dbraw/zinc/22/66/24/280226624.db2.gz MKIWVWPENPGOKE-KRWDZBQOSA-N 0 0 346.390 2.809 50 0 EFAARN O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000002503728 280274793 /nfs/dbraw/zinc/27/47/93/280274793.db2.gz GDLCPBKSWGLXRT-GUYCJALGSA-N 0 0 343.404 2.629 50 0 EFAARN O=C1NCCC[C@@]12CCN(c1ncc(Cl)cc1C(F)(F)F)C2 ZINC000091779906 280287177 /nfs/dbraw/zinc/28/71/77/280287177.db2.gz WMOVFZUUNDLGML-ZDUSSCGKSA-N 0 0 333.741 2.860 50 0 EFAARN O=C1N[C@@H](c2cc3c(cc2Br)OCO3)Oc2ccccc21 ZINC000004808608 280296815 /nfs/dbraw/zinc/29/68/15/280296815.db2.gz YALDVGIGAZYQGH-OAHLLOKOSA-N 0 0 348.152 2.999 50 0 EFAARN Cc1cc(=O)n2c(n1)NC(Nc1ccccc1)=N[C@H]2c1ccccc1 ZINC000006669869 280305821 /nfs/dbraw/zinc/30/58/21/280305821.db2.gz BQSRJWKQNMOFTF-QGZVFWFLSA-N 0 0 331.379 2.992 50 0 EFAARN Cc1cc(C)n2ncc(-c3nn4c(nnc4C(F)(F)F)s3)c2n1 ZINC000061718395 280453421 /nfs/dbraw/zinc/45/34/21/280453421.db2.gz RXAIRLMFIWPFOS-UHFFFAOYSA-N 0 0 339.306 2.531 50 0 EFAARN Cc1cc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)no1 ZINC000005269061 280622508 /nfs/dbraw/zinc/62/25/08/280622508.db2.gz DUCBQXVTLOABSD-UHFFFAOYSA-N 0 0 327.315 2.584 50 0 EFAARN Cc1ccc(N2C(=O)C(=C3c4ccccc4NC3=O)NC2=S)cc1 ZINC000101032346 280859230 /nfs/dbraw/zinc/85/92/30/280859230.db2.gz HLJVYLKZPMOSRA-PFONDFGASA-N 0 0 335.388 2.580 50 0 EFAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000006698260 281059036 /nfs/dbraw/zinc/05/90/36/281059036.db2.gz GIEHGPMXMIPVGO-ZDUSSCGKSA-N 0 0 326.418 2.818 50 0 EFAARN Cc1cccc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)c1 ZINC000022609016 281188471 /nfs/dbraw/zinc/18/84/71/281188471.db2.gz YHWNVQMGBBPBRF-UHFFFAOYSA-N 0 0 345.284 2.756 50 0 EFAARN Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)c1O ZINC000000352142 281193245 /nfs/dbraw/zinc/19/32/45/281193245.db2.gz BKXSQRZARAOITK-IAQYHMDHSA-N 0 0 342.317 2.954 50 0 EFAARN Cc1cccc(C)c1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000006703497 281203962 /nfs/dbraw/zinc/20/39/62/281203962.db2.gz FAMWYIUTNVJTER-UHFFFAOYSA-N 0 0 338.407 2.995 50 0 EFAARN Cc1ccccc1-n1ncc2c3nc(-c4ccncc4)nn3cnc21 ZINC000005306595 281331905 /nfs/dbraw/zinc/33/19/05/281331905.db2.gz AQXFCWCMGWDDAV-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000005136700 281333855 /nfs/dbraw/zinc/33/38/55/281333855.db2.gz PCWUMCKUMUTZJC-UHFFFAOYSA-N 0 0 344.436 2.960 50 0 EFAARN CCc1c(C)nc2n(c1=O)CN(C1CC1)CN2c1ccccc1OC ZINC000038830092 281368426 /nfs/dbraw/zinc/36/84/26/281368426.db2.gz CVVJUQXOFIECPG-UHFFFAOYSA-N 0 0 340.427 2.654 50 0 EFAARN Cc1nc2cc(NC(=O)c3ccc(-n4cccn4)nn3)ccc2s1 ZINC000070641237 282054206 /nfs/dbraw/zinc/05/42/06/282054206.db2.gz YHCXTVYCXBIANM-UHFFFAOYSA-N 0 0 336.380 2.833 50 0 EFAARN CCn1cc(C(=O)N(C[C@H]2COc3ccccc3O2)C(C)C)c(C)n1 ZINC000065393370 288695014 /nfs/dbraw/zinc/69/50/14/288695014.db2.gz SAGMASSKIBUEOQ-HNNXBMFYSA-N 0 0 343.427 2.902 50 0 EFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O ZINC000071385041 288816613 /nfs/dbraw/zinc/81/66/13/288816613.db2.gz UJSQCSWPAXSGLQ-NWDGAFQWSA-N 0 0 336.391 2.731 50 0 EFAARN CN(C)S(=O)(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091604935 289252341 /nfs/dbraw/zinc/25/23/41/289252341.db2.gz QYGSRSCYPABZDM-UHFFFAOYSA-N 0 0 344.480 2.875 50 0 EFAARN CN1CCC[C@]2(CCN(C(=O)C3(c4ccccc4)CCCC3)C2)C1=O ZINC000091782507 290000664 /nfs/dbraw/zinc/00/06/64/290000664.db2.gz KLCYZIYUGQGMKD-HXUWFJFHSA-N 0 0 340.467 2.969 50 0 EFAARN Cc1ccccc1OCCN(C)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000128094051 293091513 /nfs/dbraw/zinc/09/15/13/293091513.db2.gz LHTLPPWCRFMQGF-UHFFFAOYSA-N 0 0 345.424 2.571 50 0 EFAARN Cc1noc([C@H]2CCCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1 ZINC000253536962 293974527 /nfs/dbraw/zinc/97/45/27/293974527.db2.gz RKXVGUYPMLQOTK-OAHLLOKOSA-N 0 0 342.399 2.725 50 0 EFAARN COc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000000264649 295014878 /nfs/dbraw/zinc/01/48/78/295014878.db2.gz BMJCSHSYKKYZNO-JTQLQIEISA-N 0 0 333.837 2.920 50 0 EFAARN COc1cc([C@@H]2SCC(=O)Nc3c2cnn3C)cc(OC)c1O ZINC000049550606 295021454 /nfs/dbraw/zinc/02/14/54/295021454.db2.gz AMLSRLSLJBCPIN-AWEZNQCLSA-N 0 0 335.385 2.567 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)cc(Cl)c1 ZINC000005180556 295024493 /nfs/dbraw/zinc/02/44/93/295024493.db2.gz ACZKYVDFVNJHJR-UWVGGRQHSA-N 0 0 337.253 2.647 50 0 EFAARN COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000004488776 295026067 /nfs/dbraw/zinc/02/60/67/295026067.db2.gz IGGMDEZUFZEIDP-SNVBAGLBSA-N 0 0 343.335 2.612 50 0 EFAARN COc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)Nc2ccccc23)cc1 ZINC000004592758 295155568 /nfs/dbraw/zinc/15/55/68/295155568.db2.gz XSQSECQRRRCUPN-ADLMAVQZSA-N 0 0 340.404 2.969 50 0 EFAARN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@H](c2cccc(Cl)c2)N1 ZINC000013811584 295210123 /nfs/dbraw/zinc/21/01/23/295210123.db2.gz MRUWOIKSRCTMME-CYBMUJFWSA-N 0 0 325.759 2.848 50 0 EFAARN COc1ccc([C@@H]2C3COc4ccccc4C3=Nc3ncnn32)cc1 ZINC000003073003 295217956 /nfs/dbraw/zinc/21/79/56/295217956.db2.gz KKHGGOJUEOWEKJ-GOSISDBHSA-N 0 0 332.363 2.758 50 0 EFAARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OC(C)C ZINC000072326056 295247194 /nfs/dbraw/zinc/24/71/94/295247194.db2.gz DGOZDXJXDGBEEA-GFCCVEGCSA-N 0 0 345.395 2.675 50 0 biogenic EFAARN COc1ccc(S(=O)(=O)N2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000295218997 295284101 /nfs/dbraw/zinc/28/41/01/295284101.db2.gz AWYZEXXDWPWOIZ-NSHDSACASA-N 0 0 347.864 2.520 50 0 EFAARN COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](O)[C@H]2C)OCO4)c1O ZINC000105460328 295322233 /nfs/dbraw/zinc/32/22/33/295322233.db2.gz DYDGSGOMYSJIRS-DNPYPDJRSA-N 0 0 330.336 2.608 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCCC2 ZINC000000617644 295560126 /nfs/dbraw/zinc/56/01/26/295560126.db2.gz NOSFXVZCIRLVSK-UHFFFAOYSA-N 0 0 329.381 2.569 50 0 EFAARN C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1ccccc1CC21C(=O)OC(C)(C)OC1=O ZINC000016957118 297242069 /nfs/dbraw/zinc/24/20/69/297242069.db2.gz OGISVPRLALRBSX-IOASZLSFSA-N 0 0 343.423 2.916 50 0 EFAARN O=C1CCSc2ccc(S(=O)(=O)N3CCCCCC3)cc2N1 ZINC000020578684 304631588 /nfs/dbraw/zinc/63/15/88/304631588.db2.gz WHOQWMDWZBFYPB-UHFFFAOYSA-N 0 0 340.470 2.686 50 0 EFAARN Cc1cc(=O)n(CC(=O)NC2CCCCC2)c(-c2ccccc2)n1 ZINC000057526240 301067348 /nfs/dbraw/zinc/06/73/48/301067348.db2.gz SJQSGECNVDOYDF-UHFFFAOYSA-N 0 0 325.412 2.668 50 0 EFAARN Cc1cc(Br)cc2c1NC(=O)[C@]2(O)N1CCC[C@H](C)C1 ZINC000006721019 301071001 /nfs/dbraw/zinc/07/10/01/301071001.db2.gz WTFTZFREMWHPBP-VFZGTOFNSA-N 0 0 339.233 2.587 50 0 EFAARN Cc1cc(Br)cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1 ZINC000006721020 301071100 /nfs/dbraw/zinc/07/11/00/301071100.db2.gz WTFTZFREMWHPBP-BJOHPYRUSA-N 0 0 339.233 2.587 50 0 EFAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C ZINC000006471428 301180639 /nfs/dbraw/zinc/18/06/39/301180639.db2.gz WNSXTRPLMDKPAC-UHFFFAOYSA-N 0 0 332.425 2.820 50 0 EFAARN Cc1cc(C)cc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 ZINC000000574934 301226360 /nfs/dbraw/zinc/22/63/60/301226360.db2.gz NUYUAKFNGDUCGG-UHFFFAOYSA-N 0 0 338.473 2.836 50 0 EFAARN Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)cc2c1NC(=O)C2(C)C ZINC000071195997 301381877 /nfs/dbraw/zinc/38/18/77/301381877.db2.gz AIMGIIDAMJGJJY-GFCCVEGCSA-N 0 0 336.457 2.788 50 0 EFAARN Cc1ccc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004839870 301578295 /nfs/dbraw/zinc/57/82/95/301578295.db2.gz HMUINUQKPKPGID-HNNXBMFYSA-N 0 0 349.477 2.886 50 0 EFAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2N2CCOCC2)cc1 ZINC000020405310 301700057 /nfs/dbraw/zinc/70/00/57/301700057.db2.gz CHWPFAJBLHRKQM-UHFFFAOYSA-N 0 0 346.452 2.676 50 0 EFAARN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1)N1CCOCC1 ZINC000019227751 301966420 /nfs/dbraw/zinc/96/64/20/301966420.db2.gz PUTBXKTUVKCXMD-IBGZPJMESA-N 0 0 349.438 2.701 50 0 EFAARN Cn1nc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c2ccccc21 ZINC000223282955 303042883 /nfs/dbraw/zinc/04/28/83/303042883.db2.gz LZNSSIHZEVCSDB-WFEDQXDTSA-N 0 0 339.439 2.897 50 0 EFAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCc2ccccc21 ZINC000005120469 304776252 /nfs/dbraw/zinc/77/62/52/304776252.db2.gz JETSUVMMOFAPMQ-UHFFFAOYSA-N 0 0 331.393 2.599 50 0 EFAARN COc1ccc(CNC(=O)C2CCN(C(=O)C3CC=CC3)CC2)cc1 ZINC000471751716 313156243 /nfs/dbraw/zinc/15/62/43/313156243.db2.gz UNNAOLVAPLDDMX-UHFFFAOYSA-N 0 0 342.439 2.516 50 0 EFAARN O=C(Nc1nc2ccccc2s1)[C@@H](c1ccccc1)n1cnnn1 ZINC000031812403 441539842 /nfs/dbraw/zinc/53/98/42/441539842.db2.gz SREUWYDVBGEBMG-CQSZACIVSA-N 0 0 336.380 2.511 50 0 EFAARN CCc1c(C(=O)NCc2noc(C3CC3)n2)cnn1C1CCCC1 ZINC000530559953 317147543 /nfs/dbraw/zinc/14/75/43/317147543.db2.gz IGCPHQDZLPRUNQ-UHFFFAOYSA-N 0 0 329.404 2.751 50 0 EFAARN O=C(NC[C@H]1CCCN(c2ncnc3[nH]ccc32)C1)c1ccccc1 ZINC000531381493 317258997 /nfs/dbraw/zinc/25/89/97/317258997.db2.gz UAMRPDNDJWZGJT-CQSZACIVSA-N 0 0 335.411 2.604 50 0 EFAARN O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000531819825 317318081 /nfs/dbraw/zinc/31/80/81/317318081.db2.gz CANZJXZMCJBCPA-CQSZACIVSA-N 0 0 338.436 2.749 50 0 EFAARN Cn1cc([C@H]2CCCCN2C(=O)c2ccc3nsnc3c2)cn1 ZINC000548015405 318063900 /nfs/dbraw/zinc/06/39/00/318063900.db2.gz CASQZMCQAWSJNY-OAHLLOKOSA-N 0 0 327.413 2.792 50 0 EFAARN O=C(CN1CC(=O)Oc2ccccc21)Nc1nc2ccccc2s1 ZINC000000938306 462575115 /nfs/dbraw/zinc/57/51/15/462575115.db2.gz DRWIVWAHWRIDFL-UHFFFAOYSA-N 0 0 339.376 2.660 50 0 EFAARN COC(=O)c1sc(NC(=S)NC(=O)c2cccc(C)c2)nc1C ZINC000001005402 462575397 /nfs/dbraw/zinc/57/53/97/462575397.db2.gz ZHQIRGHVTCBNEX-UHFFFAOYSA-N 0 0 349.437 2.673 50 0 EFAARN CC[C@@H](C(=O)Nc1nnc(C(C)C)s1)n1nc2ccccc2n1 ZINC000041104777 472043926 /nfs/dbraw/zinc/04/39/26/472043926.db2.gz MJOHKGOQXMGDPS-LBPRGKRZSA-N 0 0 330.417 2.996 50 0 EFAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCc1ccccn1 ZINC000041095594 472044533 /nfs/dbraw/zinc/04/45/33/472044533.db2.gz CYKVANDQEZNXDI-UHFFFAOYSA-N 0 0 347.223 2.876 50 0 EFAARN O=C(NC[C@H](O)Cc1ccccc1)c1cccc(Br)c1 ZINC000070639257 472500470 /nfs/dbraw/zinc/50/04/70/472500470.db2.gz VXVIWMNFGXWXEV-OAHLLOKOSA-N 0 0 334.213 2.783 50 0 EFAARN COc1cccc2cc(C(=O)N3CC(c4nc(C5CC5)no4)C3)oc21 ZINC000070636937 472500567 /nfs/dbraw/zinc/50/05/67/472500567.db2.gz ARFJWWSRCMFULT-UHFFFAOYSA-N 0 0 339.351 2.941 50 0 EFAARN Cc1ccsc1[C@@H](O)CNS(=O)(=O)Cc1ccccc1Cl ZINC000070635746 472500599 /nfs/dbraw/zinc/50/05/99/472500599.db2.gz WGYZSFUPQOQVPA-ZDUSSCGKSA-N 0 0 345.873 2.863 50 0 EFAARN COCc1nc2ncc3c(ccn(-c4ccc(C(C)C)cc4)c3=O)n2n1 ZINC000071376432 472548378 /nfs/dbraw/zinc/54/83/78/472548378.db2.gz XYFKRVFXMSIYAZ-UHFFFAOYSA-N 0 0 349.394 2.698 50 0 EFAARN Cc1cc(C)n(C[C@@H](C)n2ccnc2C(C)(C)CN2CCOCC2)n1 ZINC000071388561 472548765 /nfs/dbraw/zinc/54/87/65/472548765.db2.gz AHVXSYDRSBSGAD-QGZVFWFLSA-N 0 0 345.491 2.567 50 0 EFAARN O=C(Cc1ccc(F)cc1)NCc1ccc(CN2CCCC2=O)cc1 ZINC000071375442 472549286 /nfs/dbraw/zinc/54/92/86/472549286.db2.gz GIJZRVSQLWRMGG-UHFFFAOYSA-N 0 0 340.398 2.807 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC2(CC1)OCCS2 ZINC000070637284 472499740 /nfs/dbraw/zinc/49/97/40/472499740.db2.gz CGLORUDBFLQTLF-DUXPYHPUSA-N 0 0 333.409 2.511 50 0 EFAARN Cc1ccsc1[C@H](O)CNS(=O)(=O)c1cc(C)c(C)cc1C ZINC000070635728 472500043 /nfs/dbraw/zinc/50/00/43/472500043.db2.gz ARHSJOAGHBNZOA-CQSZACIVSA-N 0 0 339.482 2.994 50 0 EFAARN COc1ccc2[nH]c(=O)c([C@@H]3SCC(=O)Nc4n[nH]cc43)cc2c1 ZINC000095476461 473211284 /nfs/dbraw/zinc/21/12/84/473211284.db2.gz YVWIUNUAFZNHHD-AWEZNQCLSA-N 0 0 342.380 2.684 50 0 EFAARN COc1cccc(-c2cc(C(=O)Nc3nnc(CC(C)C)[nH]3)n[nH]2)c1 ZINC000095476157 473211323 /nfs/dbraw/zinc/21/13/23/473211323.db2.gz UQAGBETWXRVVEM-UHFFFAOYSA-N 0 0 340.387 2.654 50 0 EFAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc3nonc32)c1C ZINC000095472428 473210371 /nfs/dbraw/zinc/21/03/71/473210371.db2.gz PTDZNIWJTCJLEB-UHFFFAOYSA-N 0 0 328.328 2.597 50 0 EFAARN O=C(NCCc1nc(-c2ccccc2)cs1)c1n[nH]c2c1CCC2 ZINC000095472383 473210425 /nfs/dbraw/zinc/21/04/25/473210425.db2.gz YFJZAMLDOGZTEV-UHFFFAOYSA-N 0 0 338.436 2.994 50 0 EFAARN CC[C@@H](C)[C@H](C(=O)NCc1ccccn1)N1Cc2ccccc2C1=O ZINC000095473009 473210548 /nfs/dbraw/zinc/21/05/48/473210548.db2.gz NXDXDIMUJMKQSM-RDTXWAMCSA-N 0 0 337.423 2.769 50 0 EFAARN COc1cn(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1=O ZINC000095472681 473210879 /nfs/dbraw/zinc/21/08/79/473210879.db2.gz DJKAXFUJRWYJQL-UHFFFAOYSA-N 0 0 326.274 2.665 50 0 EFAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1O ZINC000095475544 473211188 /nfs/dbraw/zinc/21/11/88/473211188.db2.gz ILEXVGUKHBMMAO-CQSZACIVSA-N 0 0 349.412 2.896 50 0 EFAARN CCCn1cc(-c2nnc3sc(-c4coc(C)n4)nn32)c(C)n1 ZINC000095475636 473211549 /nfs/dbraw/zinc/21/15/49/473211549.db2.gz MRKGAWOSMKXNCT-UHFFFAOYSA-N 0 0 329.389 2.731 50 0 EFAARN COc1cccc2c1ccn2CCC(=O)NCc1c(C)nn(C)c1C ZINC000095473037 473211553 /nfs/dbraw/zinc/21/15/53/473211553.db2.gz GNOVWAUEZRAOHI-UHFFFAOYSA-N 0 0 340.427 2.707 50 0 EFAARN Cn1cc(C(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21 ZINC000095479120 473212214 /nfs/dbraw/zinc/21/22/14/473212214.db2.gz AUHPSJLDGPCSLO-UHFFFAOYSA-N 0 0 332.367 2.621 50 0 EFAARN Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCc1ccccn1 ZINC000095478133 473212342 /nfs/dbraw/zinc/21/23/42/473212342.db2.gz XYRYLRWGEPPLJG-UHFFFAOYSA-N 0 0 338.386 2.821 50 0 EFAARN COc1ccc(N2CCC(C(=O)NC3CCCCCC3)CC2)nn1 ZINC000095480426 473212425 /nfs/dbraw/zinc/21/24/25/473212425.db2.gz LRITUSVDZIGFOE-UHFFFAOYSA-N 0 0 332.448 2.541 50 0 EFAARN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1n[nH]c(C2CC2)n1 ZINC000095477921 473212532 /nfs/dbraw/zinc/21/25/32/473212532.db2.gz LANQQJLWRQXOLJ-UHFFFAOYSA-N 0 0 342.790 2.988 50 0 EFAARN COc1ccc2cc([C@@H]3SCC(=O)Nc4n[nH]cc43)c(=O)[nH]c2c1 ZINC000095477940 473212539 /nfs/dbraw/zinc/21/25/39/473212539.db2.gz PWXTVVYZODWSGQ-AWEZNQCLSA-N 0 0 342.380 2.684 50 0 EFAARN COc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)[nH]3)n[nH]2)cc1 ZINC000095479671 473212869 /nfs/dbraw/zinc/21/28/69/473212869.db2.gz RYYAFPHHSSGDCI-UHFFFAOYSA-N 0 0 340.387 2.654 50 0 EFAARN Cc1cc(C)nc(NCCC(=O)Nc2ccc(C(F)(F)F)nc2)n1 ZINC000095480535 473212882 /nfs/dbraw/zinc/21/28/82/473212882.db2.gz LFRAIUANBRAKSH-UHFFFAOYSA-N 0 0 339.321 2.948 50 0 EFAARN CC(C)c1nc2cc(C(=O)NCc3cnn4cccnc34)ccc2o1 ZINC000095499630 473213106 /nfs/dbraw/zinc/21/31/06/473213106.db2.gz SLYLVEKGFAMTLP-UHFFFAOYSA-N 0 0 335.367 2.924 50 0 EFAARN Cc1nc2ccc(C(=O)N3CCC[C@H](c4nccn4C)C3)cc2nc1C ZINC000095497611 473213665 /nfs/dbraw/zinc/21/36/65/473213665.db2.gz NXJUBIQJQHGEKU-INIZCTEOSA-N 0 0 349.438 3.000 50 0 EFAARN Cc1ccc(NCCCNC(=O)[C@H](C)n2ccnc2C(C)C)nc1 ZINC000095496551 473213749 /nfs/dbraw/zinc/21/37/49/473213749.db2.gz BBGDBVXRGBHPPK-HNNXBMFYSA-N 0 0 329.448 2.889 50 0 EFAARN CN(C)c1cncc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 ZINC000095496839 473213775 /nfs/dbraw/zinc/21/37/75/473213775.db2.gz SPCKWCTXTQZWRS-OAHLLOKOSA-N 0 0 326.448 2.533 50 0 EFAARN CCc1nn(C)c(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)c1CC ZINC000095498555 473213866 /nfs/dbraw/zinc/21/38/66/473213866.db2.gz GIDUJHQXFDJROJ-AWEZNQCLSA-N 0 0 347.467 2.582 50 0 EFAARN COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000095499496 473213872 /nfs/dbraw/zinc/21/38/72/473213872.db2.gz YVLBWFFXLUDONI-OAHLLOKOSA-N 0 0 331.416 2.759 50 0 EFAARN COc1ccc(OC[C@@H]2CCCN(c3nc(CO)cs3)C2)cc1 ZINC000095502696 473214505 /nfs/dbraw/zinc/21/45/05/473214505.db2.gz VUXXOBRNTQCLGA-CYBMUJFWSA-N 0 0 334.441 2.939 50 0 EFAARN Cc1ccc(SCCCN(C)C(=O)CN2CCCCC2=O)cc1 ZINC000095500979 473214665 /nfs/dbraw/zinc/21/46/65/473214665.db2.gz OXFZVQNBEKBLTG-UHFFFAOYSA-N 0 0 334.485 2.948 50 0 EFAARN COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc(CC(C)C)no1)C2 ZINC000095503288 473214959 /nfs/dbraw/zinc/21/49/59/473214959.db2.gz VFHYEZBBNUNYKR-CYBMUJFWSA-N 0 0 344.411 2.863 50 0 EFAARN CCc1c(C)nn(C)c1NC(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000095506815 473215428 /nfs/dbraw/zinc/21/54/28/473215428.db2.gz XVIKFQLADVCPFF-CYBMUJFWSA-N 0 0 344.415 2.643 50 0 EFAARN O=C(CN1C(=O)CCc2ccccc21)N1CCC[C@]2(CCCO2)CC1 ZINC000095504906 473215543 /nfs/dbraw/zinc/21/55/43/473215543.db2.gz PZLQERDXZYTYJI-FQEVSTJZSA-N 0 0 342.439 2.528 50 0 EFAARN Cc1nc2ccccc2nc1CN1CC(=O)N(C)c2ccccc2C1=O ZINC000095503795 473215966 /nfs/dbraw/zinc/21/59/66/473215966.db2.gz PRGNQUIFQNSJBD-UHFFFAOYSA-N 0 0 346.390 2.557 50 0 EFAARN Cc1ccc(NCCCNC(=O)[C@@H](c2ccccc2C)N(C)C)nc1 ZINC000095505128 473216044 /nfs/dbraw/zinc/21/60/44/473216044.db2.gz HMMHJKMOLNBNGU-LJQANCHMSA-N 0 0 340.471 2.920 50 0 EFAARN Cc1nn(C)c2nc(NCc3nc(Cc4ccccc4)no3)sc12 ZINC000095509472 473216448 /nfs/dbraw/zinc/21/64/48/473216448.db2.gz UPMDHQDOXFASEH-UHFFFAOYSA-N 0 0 340.412 2.924 50 0 EFAARN Cc1c(NC(=O)NC2CCOCC2)cccc1C(=O)N1CCCC1 ZINC000095511725 473216547 /nfs/dbraw/zinc/21/65/47/473216547.db2.gz YFLHDXHLAAEFOU-UHFFFAOYSA-N 0 0 331.416 2.532 50 0 EFAARN CC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)cc1 ZINC000095517347 473217555 /nfs/dbraw/zinc/21/75/55/473217555.db2.gz VQCJDBNXXYMRJA-HNNXBMFYSA-N 0 0 329.404 2.927 50 0 EFAARN CNC(=O)Cc1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1 ZINC000095512602 473217688 /nfs/dbraw/zinc/21/76/88/473217688.db2.gz IIQQMQJYBBOLMU-MRXNPFEDSA-N 0 0 325.408 2.778 50 0 EFAARN Cc1cc(=O)[nH]c(NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000095522105 473218494 /nfs/dbraw/zinc/21/84/94/473218494.db2.gz DZJILKYXUALWHU-UHFFFAOYSA-N 0 0 343.431 2.609 50 0 EFAARN CCn1ncc(Cl)c1C(=O)NC[C@H]1COc2cc(OC)ccc2C1 ZINC000095520337 473218899 /nfs/dbraw/zinc/21/88/99/473218899.db2.gz XAGUZYKJXFPBEP-NSHDSACASA-N 0 0 349.818 2.546 50 0 EFAARN O=C(NCCSc1ccccn1)[C@@H]1CCOc2ccccc2C1 ZINC000095522057 473219054 /nfs/dbraw/zinc/21/90/54/473219054.db2.gz CXQBKLVNDOAWAR-OAHLLOKOSA-N 0 0 328.437 2.931 50 0 EFAARN Cc1nc([C@@H](c2cccnc2)N2CCOCC2)n(C2CCCCC2)n1 ZINC000095519391 473219359 /nfs/dbraw/zinc/21/93/59/473219359.db2.gz WZHVKTBCJGDSJU-GOSISDBHSA-N 0 0 341.459 2.908 50 0 EFAARN Cc1cc(NC(=O)N2CCOCC2)n(Cc2ccccc2Cl)n1 ZINC000095521025 473219419 /nfs/dbraw/zinc/21/94/19/473219419.db2.gz ROPMOHIHJGTEMI-UHFFFAOYSA-N 0 0 334.807 2.757 50 0 EFAARN CC(C)[NH+]1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2Cl)CC1 ZINC000095523180 473219761 /nfs/dbraw/zinc/21/97/61/473219761.db2.gz XUMUKHGUEGMMGF-HNNXBMFYSA-N 0 0 338.835 2.702 50 0 EFAARN Cc1cc(C)cc(N2CCN(c3cccc([C@@H](C)O)n3)CC2=O)c1 ZINC000095525639 473220122 /nfs/dbraw/zinc/22/01/22/473220122.db2.gz MVHCUTHBUHQSQP-OAHLLOKOSA-N 0 0 325.412 2.605 50 0 EFAARN CCSc1nc(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cs1 ZINC000095524772 473220306 /nfs/dbraw/zinc/22/03/06/473220306.db2.gz BWWBPRWOHPDLLY-NSHDSACASA-N 0 0 336.486 2.927 50 0 EFAARN CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1Cc2ccccc2CN1C ZINC000095522881 473220369 /nfs/dbraw/zinc/22/03/69/473220369.db2.gz GPHUDYQCSUKRTQ-SFHVURJKSA-N 0 0 339.439 2.569 50 0 EFAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2n[nH]cc2c1 ZINC000095523603 473220543 /nfs/dbraw/zinc/22/05/43/473220543.db2.gz DSSFPOUDSRUHEJ-OAHLLOKOSA-N 0 0 326.404 2.996 50 0 EFAARN O=C(NCc1cc(-c2ccccn2)no1)[C@H]1CCOc2ccccc2C1 ZINC000095529963 473221095 /nfs/dbraw/zinc/22/10/95/473221095.db2.gz GPUSMINNPRXRDU-HNNXBMFYSA-N 0 0 349.390 2.994 50 0 EFAARN Cc1ccc(CN2CC(=O)N(C)c3ccccc3C2=O)c(F)c1F ZINC000095526587 473221460 /nfs/dbraw/zinc/22/14/60/473221460.db2.gz POFXQJOLUSRGTI-UHFFFAOYSA-N 0 0 330.334 2.892 50 0 EFAARN CCCc1nnsc1C(=O)N(CC)Cc1cnc2ccccn12 ZINC000096025069 473257237 /nfs/dbraw/zinc/25/72/37/473257237.db2.gz KGDXPQPUUZRHNI-UHFFFAOYSA-N 0 0 329.429 2.801 50 0 EFAARN Cc1nnsc1C(=O)Nc1cc(-n2ccc3ccccc32)ncn1 ZINC000096025273 473257626 /nfs/dbraw/zinc/25/76/26/473257626.db2.gz MXBMDMHXSOVSKS-UHFFFAOYSA-N 0 0 336.380 2.833 50 0 EFAARN C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1cccc(O)c1 ZINC000082087665 473286521 /nfs/dbraw/zinc/28/65/21/473286521.db2.gz GELITRKMVSENPD-GFCCVEGCSA-N 0 0 344.798 2.923 50 0 EFAARN Cc1nn(C)c(C)c1CCC(=O)NCc1coc(-c2ccccc2)n1 ZINC000082093873 473286929 /nfs/dbraw/zinc/28/69/29/473286929.db2.gz IXXDBSRUDUCPHE-UHFFFAOYSA-N 0 0 338.411 2.941 50 0 EFAARN Cc1cn2cc(C(=O)N3CCN(CCc4ccccc4)CC3)ccc2n1 ZINC000082098224 473287980 /nfs/dbraw/zinc/28/79/80/473287980.db2.gz BLTJDEOJGDJQOI-UHFFFAOYSA-N 0 0 348.450 2.643 50 0 EFAARN Cc1cc(C(=O)NCc2cn3c(n2)SCC3)c2ccc(F)cc2n1 ZINC000082098099 473288067 /nfs/dbraw/zinc/28/80/67/473288067.db2.gz DFZRUZKMZHZUSE-UHFFFAOYSA-N 0 0 342.399 2.915 50 0 EFAARN CC(C)c1cc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)n(C)n1 ZINC000082100049 473288519 /nfs/dbraw/zinc/28/85/19/473288519.db2.gz POROGZQQTAQLIF-INIZCTEOSA-N 0 0 342.443 2.760 50 0 EFAARN CCCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)no1 ZINC000082107808 473288665 /nfs/dbraw/zinc/28/86/65/473288665.db2.gz HOCOUOSZZZUEDL-ZDUSSCGKSA-N 0 0 327.384 2.757 50 0 EFAARN COCC1(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)CCC1 ZINC000082107648 473289634 /nfs/dbraw/zinc/28/96/34/473289634.db2.gz XVIJOKLARCXZIE-KRWDZBQOSA-N 0 0 329.440 2.854 50 0 EFAARN COc1cc2c(cc1CN1Cc3ccccc3[C@H](O)C1)OCCCO2 ZINC000082099730 473289767 /nfs/dbraw/zinc/28/97/67/473289767.db2.gz CBLFFIOOCTVKCJ-QGZVFWFLSA-N 0 0 341.407 2.906 50 0 EFAARN CCc1nnc(CNC(=O)c2csc(Cc3ccccc3)n2)o1 ZINC000082109285 473290507 /nfs/dbraw/zinc/29/05/07/473290507.db2.gz GGXFTNLGRZUHNS-UHFFFAOYSA-N 0 0 328.397 2.609 50 0 EFAARN Cc1ccc(N2C[C@@H](C)N(C(=O)c3n[nH]c4ccccc43)CC2=O)cc1 ZINC000082135084 473294514 /nfs/dbraw/zinc/29/45/14/473294514.db2.gz WJBVQNHECSPJKG-CQSZACIVSA-N 0 0 348.406 2.749 50 0 EFAARN O=C(CCc1ccccn1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000082115796 473291243 /nfs/dbraw/zinc/29/12/43/473291243.db2.gz YJLSNFGPOCVZCX-UHFFFAOYSA-N 0 0 327.403 2.892 50 0 EFAARN O=C(Cc1ccc(O)cc1)N1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082125432 473291975 /nfs/dbraw/zinc/29/19/75/473291975.db2.gz UYMOUJHERLSRNE-KRWDZBQOSA-N 0 0 339.439 2.947 50 0 EFAARN CCc1ccccc1C(=O)N1CCN(c2cccc(OC)c2)C(=O)C1 ZINC000082121099 473293092 /nfs/dbraw/zinc/29/30/92/473293092.db2.gz UEJGRGFNMNWEJY-UHFFFAOYSA-N 0 0 338.407 2.747 50 0 EFAARN COc1ccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1F ZINC000082136764 473293447 /nfs/dbraw/zinc/29/34/47/473293447.db2.gz GNTADWRSWFOOCZ-UHFFFAOYSA-N 0 0 342.330 2.552 50 0 EFAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cnn2ccccc12 ZINC000082126852 473293790 /nfs/dbraw/zinc/29/37/90/473293790.db2.gz IKMDDAFHHOBLAQ-MRXNPFEDSA-N 0 0 334.423 2.933 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC000082126991 473294322 /nfs/dbraw/zinc/29/43/22/473294322.db2.gz YWHROMHNXXZWBT-UHFFFAOYSA-N 0 0 343.427 2.660 50 0 EFAARN CCN(Cc1noc(C2CCC2)n1)C(=O)CCc1c(C)nn(C)c1C ZINC000082127806 473294356 /nfs/dbraw/zinc/29/43/56/473294356.db2.gz NPPQGSVCYNGYKW-UHFFFAOYSA-N 0 0 345.447 2.669 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1ccc(-c2ccncc2)n1 ZINC000096098797 473294764 /nfs/dbraw/zinc/29/47/64/473294764.db2.gz ZPRKHZLHZCLHBX-OAHLLOKOSA-N 0 0 336.395 2.529 50 0 EFAARN Cc1cc([C@@H](O)CCNS(=O)(=O)c2ccccc2Cl)c(C)o1 ZINC000096097344 473294907 /nfs/dbraw/zinc/29/49/07/473294907.db2.gz JIVFFUKAJNCQRN-AWEZNQCLSA-N 0 0 343.832 2.952 50 0 EFAARN O=C(NCCn1ccc(-c2ccccn2)n1)Nc1ccc(F)cc1 ZINC000096098938 473295060 /nfs/dbraw/zinc/29/50/60/473295060.db2.gz PLVBYCVJVXNERE-UHFFFAOYSA-N 0 0 325.347 2.906 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1ccc(-c2ccccn2)n1 ZINC000096098872 473295217 /nfs/dbraw/zinc/29/52/17/473295217.db2.gz LVLOPGWMZDIUHY-OAHLLOKOSA-N 0 0 336.395 2.529 50 0 EFAARN CO[C@H](CNS(=O)(=O)c1ccc(F)cc1C)c1ccsc1 ZINC000096097428 473295248 /nfs/dbraw/zinc/29/52/48/473295248.db2.gz LSWZHJYQVKCVRW-CYBMUJFWSA-N 0 0 329.418 2.862 50 0 EFAARN COc1cccc(OC2CN(C(=O)c3csc(C(C)=O)c3)C2)c1 ZINC000082138583 473295837 /nfs/dbraw/zinc/29/58/37/473295837.db2.gz XDHRUPXUZXZTFR-UHFFFAOYSA-N 0 0 331.393 2.863 50 0 EFAARN O=S(=O)(/C=C/c1ccccc1)NC1CCN(c2nccs2)CC1 ZINC000096099845 473296374 /nfs/dbraw/zinc/29/63/74/473296374.db2.gz WUKRFMAMULHDQL-MDWZMJQESA-N 0 0 349.481 2.702 50 0 EFAARN COc1ccc(CNC(=O)NC[C@@H](O)c2ccc(SC)cc2)cc1 ZINC000096103309 473297136 /nfs/dbraw/zinc/29/71/36/473297136.db2.gz FRAXUOYIKFSRQM-QGZVFWFLSA-N 0 0 346.452 2.950 50 0 EFAARN Cc1ccc(OC2(C(=O)[O-])CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000082157215 473297278 /nfs/dbraw/zinc/29/72/78/473297278.db2.gz SJSNMSCQNZULGL-UHFFFAOYSA-N 0 0 326.396 2.888 50 0 EFAARN COc1cccc(CC(=O)NCCn2ccc(-c3cccs3)n2)c1 ZINC000096103824 473297758 /nfs/dbraw/zinc/29/77/58/473297758.db2.gz YFYIKVWDCKVDJP-UHFFFAOYSA-N 0 0 341.436 2.979 50 0 EFAARN CO[C@@H](CNS(=O)(=O)c1cccc(C(C)=O)c1)c1ccsc1 ZINC000096103338 473297898 /nfs/dbraw/zinc/29/78/98/473297898.db2.gz KKFUITCIMBWBIA-HNNXBMFYSA-N 0 0 339.438 2.617 50 0 EFAARN COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(C)c1 ZINC000082157391 473297966 /nfs/dbraw/zinc/29/79/66/473297966.db2.gz ISEWLDXKYVYRCM-UHFFFAOYSA-N 0 0 338.407 2.801 50 0 EFAARN COC(=O)N1CCCC[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC000082156721 473298109 /nfs/dbraw/zinc/29/81/09/473298109.db2.gz XMSYFJKEUQRHLS-OAHLLOKOSA-N 0 0 343.383 2.692 50 0 EFAARN COC(=O)C[C@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1cccnc1 ZINC000096115881 473304561 /nfs/dbraw/zinc/30/45/61/473304561.db2.gz UAARBACWDFCZOY-HNNXBMFYSA-N 0 0 337.379 2.796 50 0 biogenic EFAARN CC1(C)C[C@@H](NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)CCO1 ZINC000096114565 473305143 /nfs/dbraw/zinc/30/51/43/473305143.db2.gz OMBYCFUIFSFBTQ-AWEZNQCLSA-N 0 0 341.411 2.699 50 0 biogenic EFAARN COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1oc(C)cc(=O)c1O ZINC000096114074 473305521 /nfs/dbraw/zinc/30/55/21/473305521.db2.gz SZMGWOOWHJUCFE-JTQLQIEISA-N 0 0 338.743 2.708 50 0 biogenic EFAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1cccnc1 ZINC000096115882 473305707 /nfs/dbraw/zinc/30/57/07/473305707.db2.gz UAARBACWDFCZOY-OAHLLOKOSA-N 0 0 337.379 2.796 50 0 biogenic EFAARN CCOC(=O)c1[nH]c(C)c(C(=O)NCc2nc3ccccc3[nH]2)c1C ZINC000096116888 473305802 /nfs/dbraw/zinc/30/58/02/473305802.db2.gz UELRSMVLZIYGBW-UHFFFAOYSA-N 0 0 340.383 2.615 50 0 EFAARN O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096113862 473306017 /nfs/dbraw/zinc/30/60/17/473306017.db2.gz SNFHPWOGDIJYFC-CJNGLKHVSA-N 0 0 333.391 2.589 50 0 biogenic EFAARN COc1ccc2[nH]c(C(=O)NCCc3nnc4ccccn43)c(C)c2c1 ZINC000096118628 473306643 /nfs/dbraw/zinc/30/66/43/473306643.db2.gz MHIYXMPLBWWEHM-UHFFFAOYSA-N 0 0 349.394 2.500 50 0 EFAARN O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)c1cccnc1 ZINC000096121701 473306878 /nfs/dbraw/zinc/30/68/78/473306878.db2.gz WRGDFDSJVFFHIK-UHFFFAOYSA-N 0 0 333.395 2.648 50 0 EFAARN CCCc1nnsc1C(=O)Nc1ccc(N2CC[C@H](OC)C2)cc1 ZINC000096122215 473307869 /nfs/dbraw/zinc/30/78/69/473307869.db2.gz SHJWAWWWBQHOQC-AWEZNQCLSA-N 0 0 346.456 2.968 50 0 EFAARN CC(=O)Nc1cccc(NS(=O)(=O)Cc2noc3ccccc23)c1 ZINC000096124200 473308479 /nfs/dbraw/zinc/30/84/79/473308479.db2.gz BNKYAJSOISTGEO-UHFFFAOYSA-N 0 0 345.380 2.728 50 0 EFAARN O=C(Nc1cnn(C2CCOCC2)c1)c1cc(-c2cccnc2)on1 ZINC000096123372 473308658 /nfs/dbraw/zinc/30/86/58/473308658.db2.gz CHYZRQVHRIOGCY-UHFFFAOYSA-N 0 0 339.355 2.537 50 0 EFAARN CC(=O)c1c(C)nn(Cc2nc(C)nn2CCc2ccccc2)c1C ZINC000096133495 473309230 /nfs/dbraw/zinc/30/92/30/473309230.db2.gz VYVVKIFDWSIDSE-UHFFFAOYSA-N 0 0 337.427 2.893 50 0 EFAARN Cc1cnccc1CN1C[C@H]2C[N@@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096132518 473309248 /nfs/dbraw/zinc/30/92/48/473309248.db2.gz JKQHLTWAJNJMAA-PXNSSMCTSA-N 0 0 343.471 2.541 50 0 EFAARN c1cc(-c2nc([C@@H]3CCOC3)no2)oc1CSc1ncccn1 ZINC000096130509 473309415 /nfs/dbraw/zinc/30/94/15/473309415.db2.gz KMBIODGHGJFEIE-SNVBAGLBSA-N 0 0 330.369 2.916 50 0 EFAARN C[C@H]1CCC(=O)N1c1cccc(NC(=O)NCCCc2ncc[nH]2)c1 ZINC000096130542 473309569 /nfs/dbraw/zinc/30/95/69/473309569.db2.gz KUQHXTUGYQCZQL-ZDUSSCGKSA-N 0 0 341.415 2.679 50 0 EFAARN Cc1ccc(CCNC(=O)Nc2ccc(CC(=O)NC3CC3)cc2)o1 ZINC000096133001 473310125 /nfs/dbraw/zinc/31/01/25/473310125.db2.gz TZAAMHAXCNTRNH-UHFFFAOYSA-N 0 0 341.411 2.773 50 0 EFAARN CCCc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)n(C)n1 ZINC000096130477 473310260 /nfs/dbraw/zinc/31/02/60/473310260.db2.gz NMJQIMXDBLMOIF-UHFFFAOYSA-N 0 0 329.429 2.650 50 0 EFAARN Cc1cccc(-c2noc(CCc3nc([C@H]4CCOC4)no3)n2)c1 ZINC000096132544 473310348 /nfs/dbraw/zinc/31/03/48/473310348.db2.gz IMCFKUDEPPPZPE-ZDUSSCGKSA-N 0 0 326.356 2.717 50 0 EFAARN OCCn1nc(C2CCCC2)nc1-c1cnn(Cc2ccccc2)c1 ZINC000096133673 473310408 /nfs/dbraw/zinc/31/04/08/473310408.db2.gz XFSKSWIBUQVMLB-UHFFFAOYSA-N 0 0 337.427 2.840 50 0 EFAARN COCC1(NC(=O)Nc2ccc(N3CCCC3=O)cc2)CCCC1 ZINC000096139067 473311277 /nfs/dbraw/zinc/31/12/77/473311277.db2.gz OSHLLFGANZEOLC-UHFFFAOYSA-N 0 0 331.416 2.894 50 0 EFAARN c1sc(Cc2ccccc2)nc1-c1nc(CN2CCOCC2)no1 ZINC000096138791 473311830 /nfs/dbraw/zinc/31/18/30/473311830.db2.gz QVTWDHTYGDXSRJ-UHFFFAOYSA-N 0 0 342.424 2.616 50 0 EFAARN O=C(NC[C@@H](CO)Cc1ccco1)c1cc(-c2ccccc2)on1 ZINC000096137341 473311910 /nfs/dbraw/zinc/31/19/10/473311910.db2.gz CLQUXXPJKKIRLR-ZDUSSCGKSA-N 0 0 326.352 2.516 50 0 EFAARN CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000096140469 473313421 /nfs/dbraw/zinc/31/34/21/473313421.db2.gz YEFOLAUGWNUQIJ-AWEZNQCLSA-N 0 0 340.445 2.513 50 0 EFAARN Cc1cccc2[nH]c(C3CCN(c4cc(C(N)=O)ccn4)CC3)nc21 ZINC000096150980 473314069 /nfs/dbraw/zinc/31/40/69/473314069.db2.gz LPGFEYJJKYYYPU-UHFFFAOYSA-N 0 0 335.411 2.749 50 0 EFAARN CC(C)C[C@H](NC(=O)Nc1ccc2c[nH]nc2c1)c1ncnn1C ZINC000096148093 473314305 /nfs/dbraw/zinc/31/43/05/473314305.db2.gz RTJIQOKGDZRYTO-AWEZNQCLSA-N 0 0 327.392 2.600 50 0 EFAARN COCCN(CCOC)C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000096148865 473314430 /nfs/dbraw/zinc/31/44/30/473314430.db2.gz CZXCVRPGHOJSSY-UHFFFAOYSA-N 0 0 335.429 2.937 50 0 EFAARN O=C(Cc1csc(-c2ccccc2)n1)NCCNc1cccnc1 ZINC000096161907 473319794 /nfs/dbraw/zinc/31/97/94/473319794.db2.gz PREJDDMBMZOOQN-UHFFFAOYSA-N 0 0 338.436 2.976 50 0 EFAARN CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cnc(C)nc1 ZINC000096160238 473320002 /nfs/dbraw/zinc/32/00/02/473320002.db2.gz OPMSQJXNVMLORD-UHFFFAOYSA-N 0 0 336.399 2.610 50 0 EFAARN Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)Nc2cnns2)n1 ZINC000096152979 473315983 /nfs/dbraw/zinc/31/59/83/473315983.db2.gz ABFONQWKWLUFBK-SSDOTTSWSA-N 0 0 348.354 2.520 50 0 EFAARN Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4c(c3)COC4=O)C2)n1 ZINC000096152933 473316145 /nfs/dbraw/zinc/31/61/45/473316145.db2.gz UYLAHRJUHAXHIE-HNNXBMFYSA-N 0 0 340.383 2.649 50 0 EFAARN COCCc1nc(-c2ccc(-c3ccc(C)o3)cc2)n(CCO)n1 ZINC000096152897 473317111 /nfs/dbraw/zinc/31/71/11/473317111.db2.gz ZCHZINZWOPROAL-UHFFFAOYSA-N 0 0 327.384 2.695 50 0 EFAARN Cc1ccc(-n2nc(COc3ccccc3)nc2[C@H]2CNC(=O)C2)cc1 ZINC000096159643 473320505 /nfs/dbraw/zinc/32/05/05/473320505.db2.gz KLSFTPMSUDMAQU-OAHLLOKOSA-N 0 0 348.406 2.758 50 0 EFAARN COCCc1noc([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 ZINC000096164128 473320954 /nfs/dbraw/zinc/32/09/54/473320954.db2.gz GWAQLUKLJZHIGI-CQSZACIVSA-N 0 0 329.400 2.902 50 0 EFAARN Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)OCCO3)N(C)C)o1 ZINC000096163871 473321022 /nfs/dbraw/zinc/32/10/22/473321022.db2.gz BZFWVFWUJDVOPW-CQSZACIVSA-N 0 0 345.399 2.784 50 0 EFAARN CN(C)c1cccc(NC(=O)N(CCCO)Cc2cccnc2)c1 ZINC000096163481 473321840 /nfs/dbraw/zinc/32/18/40/473321840.db2.gz VIANKKPMBOQETF-UHFFFAOYSA-N 0 0 328.416 2.564 50 0 EFAARN CC[C@H](O)Cn1nc(C(C)C)nc1Cc1c(C)nc2ccccn21 ZINC000096162802 473322076 /nfs/dbraw/zinc/32/20/76/473322076.db2.gz JNBIZPNQWFVCNS-AWEZNQCLSA-N 0 0 327.432 2.719 50 0 EFAARN O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC(c2ncc[nH]2)CC1 ZINC000096163702 473322143 /nfs/dbraw/zinc/32/21/43/473322143.db2.gz TVHXKLWTDNSQFW-UHFFFAOYSA-N 0 0 339.374 2.959 50 0 EFAARN COCc1cc(CNC(=O)Nc2cc(C)nn2C2CCCCC2)[nH]n1 ZINC000096167132 473322518 /nfs/dbraw/zinc/32/25/18/473322518.db2.gz GAKUAODPWXULRJ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/37/64/15/473376415.db2.gz SSGRZBVBSOLPNQ-KRWDZBQOSA-N 0 0 330.815 2.796 50 0 EFAARN O=C(Cc1noc2ccccc12)NCCCn1ccc2cccnc21 ZINC000096353285 473376887 /nfs/dbraw/zinc/37/68/87/473376887.db2.gz FNYOAWJKTFFDRQ-UHFFFAOYSA-N 0 0 334.379 2.927 50 0 EFAARN COc1ccccc1OCC(=O)NC[C@@H](OC)c1ccc(C)s1 ZINC000096385669 473377372 /nfs/dbraw/zinc/37/73/72/473377372.db2.gz CXKVNMWIPJIKCH-OAHLLOKOSA-N 0 0 335.425 2.948 50 0 EFAARN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C)s1)OC ZINC000096384870 473377709 /nfs/dbraw/zinc/37/77/09/473377709.db2.gz UYUBYHJJTUVDLW-CQSZACIVSA-N 0 0 341.454 2.731 50 0 EFAARN COc1cccc([C@@H](CNC(=O)COc2ccccc2C)OC)c1 ZINC000096389843 473378169 /nfs/dbraw/zinc/37/81/69/473378169.db2.gz AUBUFCCJFADPAZ-GOSISDBHSA-N 0 0 329.396 2.886 50 0 EFAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)c(C)c2)OC)c1 ZINC000096390197 473379334 /nfs/dbraw/zinc/37/93/34/473379334.db2.gz SZQFJYQNQWJINM-GOSISDBHSA-N 0 0 349.452 2.978 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1 ZINC000000048748 471318669 /nfs/dbraw/zinc/31/86/69/471318669.db2.gz VGJSNZGJASXCBD-HNNXBMFYSA-N 0 0 346.408 2.518 50 0 EFAARN CC(C)C(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000077279 471319389 /nfs/dbraw/zinc/31/93/89/471319389.db2.gz UQTQTZJFQAKIKF-UHFFFAOYSA-N 0 0 344.392 2.809 50 0 EFAARN O=C(Cc1cccc2ccccc21)NN1C(=O)c2ccccc2C1=O ZINC000000072503 471319647 /nfs/dbraw/zinc/31/96/47/471319647.db2.gz MUNJTRRXAZPOCH-UHFFFAOYSA-N 0 0 330.343 2.710 50 0 EFAARN COc1ccc(/C=c2\sc3nnc(-c4ccc(C)cc4)n3c2=O)cc1 ZINC000000070282 471319704 /nfs/dbraw/zinc/31/97/04/471319704.db2.gz MLQOGRAGMVPJPN-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN COc1ccccc1N1C(=O)C[C@H](Sc2nc(C)cc(C)n2)C1=O ZINC000000085292 471320484 /nfs/dbraw/zinc/32/04/84/471320484.db2.gz MRGWLTFYAOXDIN-AWEZNQCLSA-N 0 0 343.408 2.526 50 0 EFAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000000086607 471321792 /nfs/dbraw/zinc/32/17/92/471321792.db2.gz WPNYYQMLRRDBPI-UHFFFAOYSA-N 0 0 332.425 2.806 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 ZINC000000093795 471322205 /nfs/dbraw/zinc/32/22/05/471322205.db2.gz PHUIKOSMPLEXHN-UHFFFAOYSA-N 0 0 326.324 2.724 50 0 EFAARN COc1cccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)c1 ZINC000000096122 471322910 /nfs/dbraw/zinc/32/29/10/471322910.db2.gz YDJRVAYEVPSBHK-UHFFFAOYSA-N 0 0 340.408 2.520 50 0 EFAARN COc1ccc(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000097599 471323453 /nfs/dbraw/zinc/32/34/53/471323453.db2.gz ADHNOLSNFXCAKU-UHFFFAOYSA-N 0 0 345.395 2.694 50 0 biogenic EFAARN Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1Cl ZINC000000104751 471324113 /nfs/dbraw/zinc/32/41/13/471324113.db2.gz GJVLFOBWHUTBJW-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 ZINC000000110611 471324519 /nfs/dbraw/zinc/32/45/19/471324519.db2.gz CVFRDTKNJCVSDJ-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000117101 471325376 /nfs/dbraw/zinc/32/53/76/471325376.db2.gz IEBXWYDMPKXTMI-UHFFFAOYSA-N 0 0 341.386 2.747 50 0 EFAARN COc1cc(NC(=O)C(F)(F)F)c(OC)cc1Br ZINC000000117409 471325607 /nfs/dbraw/zinc/32/56/07/471325607.db2.gz CMFWOIRVYSVUHT-UHFFFAOYSA-N 0 0 328.084 2.967 50 0 EFAARN COC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000000124039 471326110 /nfs/dbraw/zinc/32/61/10/471326110.db2.gz XIVFYJKKUAPOMV-UHFFFAOYSA-N 0 0 345.351 2.751 50 0 biogenic EFAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1OC(F)F ZINC000000123219 471326260 /nfs/dbraw/zinc/32/62/60/471326260.db2.gz KOUYCXKLICMXNB-GFCCVEGCSA-N 0 0 342.367 2.644 50 0 EFAARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c1 ZINC000000126791 471326527 /nfs/dbraw/zinc/32/65/27/471326527.db2.gz FDWWHZSGUFPOAW-MRXNPFEDSA-N 0 0 330.384 2.809 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1 ZINC000000138206 471326688 /nfs/dbraw/zinc/32/66/88/471326688.db2.gz NWOXVSRZYCDAOL-UHFFFAOYSA-N 0 0 335.157 2.868 50 0 EFAARN COC(=O)c1sc2ncn(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000000132418 471326722 /nfs/dbraw/zinc/32/67/22/471326722.db2.gz CXZDLQBTUJQGRW-UHFFFAOYSA-N 0 0 328.393 2.910 50 0 EFAARN O=C(Cc1cccc2ccccc21)Nc1cccc2c1C(=O)NC2=O ZINC000000136922 471327225 /nfs/dbraw/zinc/32/72/25/471327225.db2.gz WTMDERKPVCVBGV-UHFFFAOYSA-N 0 0 330.343 2.905 50 0 EFAARN COC(=O)c1ccc(N2C(=O)C[C@H](Sc3ccccc3)C2=O)cc1 ZINC000000134470 471327363 /nfs/dbraw/zinc/32/73/63/471327363.db2.gz RUATZILUFVDZEL-HNNXBMFYSA-N 0 0 341.388 2.897 50 0 EFAARN CN(C)S(=O)(=O)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000000136499 471327394 /nfs/dbraw/zinc/32/73/94/471327394.db2.gz UWCOPRZCOYAACD-UHFFFAOYSA-N 0 0 335.816 2.905 50 0 EFAARN COC(=O)c1cc(Br)ccc1NC(=O)c1cccnc1 ZINC000000140436 471328149 /nfs/dbraw/zinc/32/81/49/471328149.db2.gz NUTBOVNAMXMPKB-UHFFFAOYSA-N 0 0 335.157 2.883 50 0 EFAARN O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(OC(F)F)cc1 ZINC000000157083 471328657 /nfs/dbraw/zinc/32/86/57/471328657.db2.gz FBGYOIRLZHDDRP-UHFFFAOYSA-N 0 0 331.274 2.767 50 0 EFAARN CCCc1cnc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1 ZINC000000156241 471329502 /nfs/dbraw/zinc/32/95/02/471329502.db2.gz 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/nfs/dbraw/zinc/33/18/37/471331837.db2.gz RMVJTBYILZMIFQ-UHFFFAOYSA-N 0 0 330.453 2.814 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 ZINC000000190624 471332501 /nfs/dbraw/zinc/33/25/01/471332501.db2.gz AHNAYKOKHDHSNQ-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN Cc1ccc(C)c(-c2csc(NC(=O)CN3C(=O)CCC3=O)n2)c1 ZINC000000189278 471332705 /nfs/dbraw/zinc/33/27/05/471332705.db2.gz QYSFJWOHIZYXOU-UHFFFAOYSA-N 0 0 343.408 2.514 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccccc1Cl ZINC000000193886 471333048 /nfs/dbraw/zinc/33/30/48/471333048.db2.gz LTKMNGNWTHRFSQ-AWEZNQCLSA-N 0 0 336.775 2.790 50 0 EFAARN COC(=O)c1cc(NC(=O)Cc2cccs2)cc(C(=O)OC)c1 ZINC000000194959 471333125 /nfs/dbraw/zinc/33/31/25/471333125.db2.gz LLFKSRAHIRSPNB-UHFFFAOYSA-N 0 0 333.365 2.503 50 0 EFAARN CNc1nc(NC(C)(C)C)nc(Oc2ccc(C(=O)OC)cc2)n1 ZINC000000200239 471333133 /nfs/dbraw/zinc/33/31/33/471333133.db2.gz BKIIRTSHQQWIEI-UHFFFAOYSA-N 0 0 331.376 2.703 50 0 EFAARN O=C(Nc1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000000194218 471333650 /nfs/dbraw/zinc/33/36/50/471333650.db2.gz GJUPPFYXYGAPLF-OLZOCXBDSA-N 0 0 327.359 2.639 50 0 biogenic EFAARN COc1c2ccoc2nc2c1CC[C@@H](O)[C@]2(CCC(C)(C)O)OC ZINC000000199418 471333753 /nfs/dbraw/zinc/33/37/53/471333753.db2.gz KHGNFPUMBJSZSM-ACJLOTCBSA-N 0 0 335.400 2.536 50 0 biogenic EFAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 ZINC000000202252 471334515 /nfs/dbraw/zinc/33/45/15/471334515.db2.gz QTVKBNHNENBSAY-UHFFFAOYSA-N 0 0 332.381 2.549 50 0 EFAARN CCNC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O ZINC000000204027 471334694 /nfs/dbraw/zinc/33/46/94/471334694.db2.gz RVXFVBGNYVYCSF-UHFFFAOYSA-N 0 0 335.407 2.898 50 0 EFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c(OC)c1 ZINC000000206032 471334889 /nfs/dbraw/zinc/33/48/89/471334889.db2.gz IOXOJDRHBNCDSX-ZDUSSCGKSA-N 0 0 333.384 2.908 50 0 EFAARN COc1ccccc1/C=C/[C@H]1NC(=O)NC(C)=C1C(=O)OC(C)C ZINC000000202261 471334954 /nfs/dbraw/zinc/33/49/54/471334954.db2.gz GVORKDGOPRGWBV-ATWMFIQVSA-N 0 0 330.384 2.615 50 0 EFAARN CC(=O)Oc1ccc([C@H]2OC(=O)c3ccccc3N2C(C)=O)cc1 ZINC000000215747 471336574 /nfs/dbraw/zinc/33/65/74/471336574.db2.gz AVXCDDIUXVGVOU-QGZVFWFLSA-N 0 0 325.320 2.834 50 0 EFAARN CCn1c(SCC(N)=O)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000000221633 471337740 /nfs/dbraw/zinc/33/77/40/471337740.db2.gz TZJVZSBGZWFZNU-UHFFFAOYSA-N 0 0 329.429 2.641 50 0 EFAARN CCOc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000000223690 471337782 /nfs/dbraw/zinc/33/77/82/471337782.db2.gz GEKCCQXLTVWKCB-UHFFFAOYSA-N 0 0 337.379 2.513 50 0 EFAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000000249190 471340580 /nfs/dbraw/zinc/34/05/80/471340580.db2.gz HMMROQXXLSAPGM-UHFFFAOYSA-N 0 0 329.324 2.783 50 0 EFAARN O=C(NC(=S)Nc1ccccc1Br)c1cccnc1 ZINC000000267044 471341648 /nfs/dbraw/zinc/34/16/48/471341648.db2.gz QUHHLCVFCBUKCR-UHFFFAOYSA-N 0 0 336.214 2.971 50 0 EFAARN CCN1c2ccc(S(=O)(=O)N3CCCCC3)c3cccc(c23)C1=O ZINC000000276132 471342267 /nfs/dbraw/zinc/34/22/67/471342267.db2.gz YXQZBKPKJAJEST-UHFFFAOYSA-N 0 0 344.436 2.995 50 0 EFAARN CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(OC)cc2)N1 ZINC000000274547 471342375 /nfs/dbraw/zinc/34/23/75/471342375.db2.gz DZSXRKBSFUNQFG-CQSZACIVSA-N 0 0 330.306 2.948 50 0 EFAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(N)=O)c3n2)cc1 ZINC000000275884 471342518 /nfs/dbraw/zinc/34/25/18/471342518.db2.gz CJVOQWHSPQFGGJ-UHFFFAOYSA-N 0 0 336.273 2.523 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000000287181 471343392 /nfs/dbraw/zinc/34/33/92/471343392.db2.gz PLRVHPXMBBGSAT-UHFFFAOYSA-N 0 0 326.377 2.740 50 0 EFAARN CCC1=NN(C(=O)c2ccccc2N)[C@@](O)(c2ccc(OC)cc2)C1 ZINC000000295852 471343488 /nfs/dbraw/zinc/34/34/88/471343488.db2.gz KVRSFLSBQCJQND-IBGZPJMESA-N 0 0 339.395 2.735 50 0 EFAARN COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1OC ZINC000000292927 471343546 /nfs/dbraw/zinc/34/35/46/471343546.db2.gz NBAZBKAYEICCIF-UHFFFAOYSA-N 0 0 337.379 2.966 50 0 EFAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)NCc1ccccc1 ZINC000000290158 471343603 /nfs/dbraw/zinc/34/36/03/471343603.db2.gz HFMFCNDNWAVPRV-UHFFFAOYSA-N 0 0 349.419 2.915 50 0 EFAARN CCC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C)c(C)c2)N1 ZINC000000286183 471343747 /nfs/dbraw/zinc/34/37/47/471343747.db2.gz PRXBBZUVPXZCNE-HNNXBMFYSA-N 0 0 344.333 2.931 50 0 EFAARN COc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1O ZINC000000293882 471343782 /nfs/dbraw/zinc/34/37/82/471343782.db2.gz FRRCSDFKENBYNG-UHFFFAOYSA-N 0 0 328.412 2.732 50 0 EFAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 ZINC000000299178 471344410 /nfs/dbraw/zinc/34/44/10/471344410.db2.gz DLEBOHRRQKRNEC-UHFFFAOYSA-N 0 0 348.399 2.863 50 0 EFAARN COC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)cc(C(=O)OC)c1 ZINC000000303612 471344684 /nfs/dbraw/zinc/34/46/84/471344684.db2.gz YELVLVTUSZCBIM-UHFFFAOYSA-N 0 0 345.326 2.580 50 0 EFAARN Cc1ccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000000302715 471344772 /nfs/dbraw/zinc/34/47/72/471344772.db2.gz ACCCAEOJKLNETJ-INIZCTEOSA-N 0 0 349.312 2.891 50 0 EFAARN CCN1c2ccccc2[C@](O)(CC(=O)c2ccccc2OC)C1=O ZINC000000299941 471344865 /nfs/dbraw/zinc/34/48/65/471344865.db2.gz IYTUNTGTNWWZLV-LJQANCHMSA-N 0 0 325.364 2.522 50 0 EFAARN CCOC(=O)CCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O ZINC000000304181 471345030 /nfs/dbraw/zinc/34/50/30/471345030.db2.gz PGRFGTIRLTUVRF-UHFFFAOYSA-N 0 0 332.352 2.565 50 0 biogenic EFAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000000308648 471345875 /nfs/dbraw/zinc/34/58/75/471345875.db2.gz CQUJNFOGCMYIFQ-UHFFFAOYSA-N 0 0 333.409 2.819 50 0 EFAARN CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000000310595 471345897 /nfs/dbraw/zinc/34/58/97/471345897.db2.gz XFSJRYNTZUUCHM-AWEZNQCLSA-N 0 0 329.377 2.589 50 0 EFAARN O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc(Cl)cc1 ZINC000000309557 471346098 /nfs/dbraw/zinc/34/60/98/471346098.db2.gz HUXKOWUGIRCTAT-UHFFFAOYSA-N 0 0 329.743 2.511 50 0 EFAARN C[C@H](C(=O)Oc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000000313792 471346611 /nfs/dbraw/zinc/34/66/11/471346611.db2.gz MFGBNQUXCACHCC-SNVBAGLBSA-N 0 0 329.739 2.930 50 0 EFAARN COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 ZINC000000314755 471346800 /nfs/dbraw/zinc/34/68/00/471346800.db2.gz SRQCVZDPIDPYHZ-KRWDZBQOSA-N 0 0 331.755 2.761 50 0 EFAARN O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1 ZINC000000316545 471346811 /nfs/dbraw/zinc/34/68/11/471346811.db2.gz XHGYUGBHQWZNCY-CQSZACIVSA-N 0 0 347.386 2.733 50 0 EFAARN O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1 ZINC000000316541 471346818 /nfs/dbraw/zinc/34/68/18/471346818.db2.gz XHGYUGBHQWZNCY-AWEZNQCLSA-N 0 0 347.386 2.733 50 0 EFAARN CCOc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)cc1 ZINC000000316510 471346960 /nfs/dbraw/zinc/34/69/60/471346960.db2.gz BMEXJCKHMZQJHN-LJQANCHMSA-N 0 0 325.364 2.806 50 0 EFAARN CCOC(=O)c1sc(NC(=O)COc2ccccc2F)nc1C ZINC000000315081 471347153 /nfs/dbraw/zinc/34/71/53/471347153.db2.gz SMVFNCCWBTYPKK-UHFFFAOYSA-N 0 0 338.360 2.785 50 0 EFAARN CCOC(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000000314460 471347301 /nfs/dbraw/zinc/34/73/01/471347301.db2.gz DJXCSYFLZRSLFV-UHFFFAOYSA-N 0 0 342.848 2.733 50 0 EFAARN COc1cc(C(=O)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000000314646 471347360 /nfs/dbraw/zinc/34/73/60/471347360.db2.gz GIMLVICIKBGJAN-UHFFFAOYSA-N 0 0 327.380 2.911 50 0 biogenic EFAARN CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000319005 471348401 /nfs/dbraw/zinc/34/84/01/471348401.db2.gz KGSJFWIWNZGRJS-UHFFFAOYSA-N 0 0 341.386 2.747 50 0 EFAARN CCOC(=O)COc1c(Br)cc(C=O)cc1OCC ZINC000000336066 471348437 /nfs/dbraw/zinc/34/84/37/471348437.db2.gz YZGGSTPZPGACLT-UHFFFAOYSA-N 0 0 331.162 2.602 50 0 EFAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000000345207 471349336 /nfs/dbraw/zinc/34/93/36/471349336.db2.gz PRNQYJABDVJICK-UHFFFAOYSA-N 0 0 325.773 2.547 50 0 EFAARN O=C(NC(NC(=O)c1ccco1)c1ccc(F)cc1)c1ccco1 ZINC000000349922 471349676 /nfs/dbraw/zinc/34/96/76/471349676.db2.gz WETYKSSPAVTQMC-UHFFFAOYSA-N 0 0 328.299 2.870 50 0 EFAARN COc1ccc(NC(=O)c2cc3nc(C)cc(C)n3n2)cc1OC ZINC000000339389 471349897 /nfs/dbraw/zinc/34/98/97/471349897.db2.gz FGONETUSMVWWRR-UHFFFAOYSA-N 0 0 326.356 2.616 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(O)cc1O ZINC000000358200 471350432 /nfs/dbraw/zinc/35/04/32/471350432.db2.gz QCHPFIFYJYDMMO-OAHLLOKOSA-N 0 0 344.319 2.600 50 0 biogenic EFAARN COc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000000358083 471350632 /nfs/dbraw/zinc/35/06/32/471350632.db2.gz MQKALKBMXZAWEQ-UHFFFAOYSA-N 0 0 346.408 2.839 50 0 EFAARN CC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000000368105 471351333 /nfs/dbraw/zinc/35/13/33/471351333.db2.gz CGRILFYOZWEJCI-UHFFFAOYSA-N 0 0 335.454 2.969 50 0 EFAARN CCOc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1OCC ZINC000000365729 471351371 /nfs/dbraw/zinc/35/13/71/471351371.db2.gz NBWFXBVJGKPLGB-INIZCTEOSA-N 0 0 348.399 2.627 50 0 EFAARN CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000000367858 471351490 /nfs/dbraw/zinc/35/14/90/471351490.db2.gz MVXNOQOLPLZMJF-UHFFFAOYSA-N 0 0 326.352 2.604 50 0 EFAARN NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000000371870 471352034 /nfs/dbraw/zinc/35/20/34/471352034.db2.gz ACVQFXORQCQIME-UHFFFAOYSA-N 0 0 325.777 2.631 50 0 EFAARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Br)c1 ZINC000000365674 471352092 /nfs/dbraw/zinc/35/20/92/471352092.db2.gz PNBNLKDMMQDANV-GFCCVEGCSA-N 0 0 339.189 2.592 50 0 EFAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1CCCO1 ZINC000000375221 471352722 /nfs/dbraw/zinc/35/27/22/471352722.db2.gz BPCPBDOHJNBSSC-SNVBAGLBSA-N 0 0 325.386 2.553 50 0 EFAARN Cc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000000379198 471353128 /nfs/dbraw/zinc/35/31/28/471353128.db2.gz SGHJLZSJUAFACN-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN CCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000000390229 471353695 /nfs/dbraw/zinc/35/36/95/471353695.db2.gz UZFRHJGIDQQZLB-LLVKDONJSA-N 0 0 340.383 2.522 50 0 EFAARN CCc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 ZINC000000382727 471354008 /nfs/dbraw/zinc/35/40/08/471354008.db2.gz AJOCVJHHWMUFIN-UHFFFAOYSA-N 0 0 338.473 2.782 50 0 EFAARN Cc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(C)(=O)=O ZINC000000382723 471354081 /nfs/dbraw/zinc/35/40/81/471354081.db2.gz BZNGDRPYZWGEGR-UHFFFAOYSA-N 0 0 338.473 2.836 50 0 EFAARN COC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc21 ZINC000000390219 471354134 /nfs/dbraw/zinc/35/41/34/471354134.db2.gz HVBFZOSVIUZKHK-UHFFFAOYSA-N 0 0 334.335 2.648 50 0 EFAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000000389237 471354161 /nfs/dbraw/zinc/35/41/61/471354161.db2.gz OYJNGGITXZHOTB-UHFFFAOYSA-N 0 0 327.771 2.997 50 0 EFAARN O=S(=O)(NCc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000382657 471354177 /nfs/dbraw/zinc/35/41/77/471354177.db2.gz WYMBPHIPKVZNFJ-UHFFFAOYSA-N 0 0 339.800 2.590 50 0 EFAARN CCOC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000000411513 471354220 /nfs/dbraw/zinc/35/42/20/471354220.db2.gz VQYLSGWYABSQRN-UHFFFAOYSA-N 0 0 328.777 2.957 50 0 EFAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccc(F)cc1 ZINC000000390760 471354269 /nfs/dbraw/zinc/35/42/69/471354269.db2.gz DKRCAEOXFROMOT-UHFFFAOYSA-N 0 0 331.734 2.828 50 0 EFAARN COc1cccc(OC)c1OC(=O)Cn1c2ccccc2sc1=O ZINC000000405512 471355091 /nfs/dbraw/zinc/35/50/91/471355091.db2.gz NFFVIMDHHCZZSV-UHFFFAOYSA-N 0 0 345.376 2.686 50 0 EFAARN CC(C)(C)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000000415383 471355847 /nfs/dbraw/zinc/35/58/47/471355847.db2.gz DCRXEWOYSLFTLP-UHFFFAOYSA-N 0 0 341.440 2.822 50 0 EFAARN CCOc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 ZINC000000416081 471355943 /nfs/dbraw/zinc/35/59/43/471355943.db2.gz FCCVXBWMISIPNS-UHFFFAOYSA-N 0 0 337.379 2.742 50 0 EFAARN Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O ZINC000000420554 471356778 /nfs/dbraw/zinc/35/67/78/471356778.db2.gz DDXCXHQCFSLMFR-UHFFFAOYSA-N 0 0 343.383 2.803 50 0 EFAARN COC(=O)c1sc(=S)n(-c2ccc(OC)cc2OC)c1N ZINC000000425194 471357717 /nfs/dbraw/zinc/35/77/17/471357717.db2.gz WLIICPRXIKIJKN-UHFFFAOYSA-N 0 0 326.399 2.654 50 0 EFAARN CCN(CCCn1c(=O)c2cccnc2[nH]c1=S)c1ccccc1 ZINC000000424552 471357585 /nfs/dbraw/zinc/35/75/85/471357585.db2.gz UDTXNKWLXXEPRP-UHFFFAOYSA-N 0 0 340.452 2.997 50 0 EFAARN Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000000422618 471358102 /nfs/dbraw/zinc/35/81/02/471358102.db2.gz SEYYOKKSSJQGKR-UHFFFAOYSA-N 0 0 343.387 2.747 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C)ccc21 ZINC000000428691 471359108 /nfs/dbraw/zinc/35/91/08/471359108.db2.gz RJACZRMSMMACLC-UHFFFAOYSA-N 0 0 330.409 2.705 50 0 EFAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21 ZINC000000428647 471359154 /nfs/dbraw/zinc/35/91/54/471359154.db2.gz WAPKAHHUONUUAU-UHFFFAOYSA-N 0 0 348.468 2.764 50 0 EFAARN O=C(COc1ccc(Cl)cc1Br)NC[C@H]1CCCO1 ZINC000000436209 471359934 /nfs/dbraw/zinc/35/99/34/471359934.db2.gz JJZRLGDHHXRSMI-SNVBAGLBSA-N 0 0 348.624 2.777 50 0 EFAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1CO ZINC000000449445 471361015 /nfs/dbraw/zinc/36/10/15/471361015.db2.gz DEKAJSDCZGTCPP-UHFFFAOYSA-N 0 0 336.185 2.959 50 0 EFAARN Cc1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000000450027 471361024 /nfs/dbraw/zinc/36/10/24/471361024.db2.gz SUHKEHZXZZLOKU-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN COC(=O)c1cc(NC(=O)c2ccccc2OC)cc(C(=O)OC)c1 ZINC000000442235 471361508 /nfs/dbraw/zinc/36/15/08/471361508.db2.gz KKIIXOXYEBCWDN-UHFFFAOYSA-N 0 0 343.335 2.521 50 0 EFAARN O=C(COc1ccc(Br)cc1Cl)NC[C@@H]1CCCO1 ZINC000000458130 471361956 /nfs/dbraw/zinc/36/19/56/471361956.db2.gz LYOIEPOHGIXEFH-JTQLQIEISA-N 0 0 348.624 2.777 50 0 EFAARN CCOc1cc(C(=O)N[C@H](C)COC)cc(OCC)c1OCC ZINC000000456754 471362079 /nfs/dbraw/zinc/36/20/79/471362079.db2.gz ZLXUKKZYILPGRB-GFCCVEGCSA-N 0 0 325.405 2.647 50 0 EFAARN C[C@H](C(=O)NC1CCCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000000469066 471362825 /nfs/dbraw/zinc/36/28/25/471362825.db2.gz AEYBIRPFCOINTO-CQSZACIVSA-N 0 0 338.473 2.680 50 0 EFAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 ZINC000000466340 471362995 /nfs/dbraw/zinc/36/29/95/471362995.db2.gz XIHDXDLBYHZIHI-UHFFFAOYSA-N 0 0 330.413 2.783 50 0 EFAARN O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000461358 471363001 /nfs/dbraw/zinc/36/30/01/471363001.db2.gz XPLBCYRLGJHYJQ-IZZDOVSWSA-N 0 0 336.391 2.811 50 0 EFAARN CCc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000000469001 471363051 /nfs/dbraw/zinc/36/30/51/471363051.db2.gz GUTNVHYSENHAFW-UHFFFAOYSA-N 0 0 346.452 2.962 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)cc1 ZINC000000462006 471363203 /nfs/dbraw/zinc/36/32/03/471363203.db2.gz XJCGEHCVDHKICU-UHFFFAOYSA-N 0 0 333.315 2.882 50 0 EFAARN COC(=O)c1cc(NC(=O)Cc2ccc(C)cc2)cc(C(=O)OC)c1 ZINC000000466638 471363269 /nfs/dbraw/zinc/36/32/69/471363269.db2.gz NOGWCKJDGQNZRT-UHFFFAOYSA-N 0 0 341.363 2.749 50 0 EFAARN Cc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000000468305 471363454 /nfs/dbraw/zinc/36/34/54/471363454.db2.gz LATPLRUTVGWGFF-UHFFFAOYSA-N 0 0 328.387 2.862 50 0 EFAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1F ZINC000000467350 471363531 /nfs/dbraw/zinc/36/35/31/471363531.db2.gz WPVYBASBFSQWCL-UHFFFAOYSA-N 0 0 333.315 2.882 50 0 EFAARN CCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 ZINC000000470283 471363878 /nfs/dbraw/zinc/36/38/78/471363878.db2.gz YSOIBWNRSGTFHC-UHFFFAOYSA-N 0 0 337.383 2.914 50 0 EFAARN COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000000470838 471363925 /nfs/dbraw/zinc/36/39/25/471363925.db2.gz ZXNRYWUNPRBWAI-UHFFFAOYSA-N 0 0 339.750 2.998 50 0 EFAARN CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCCCC1 ZINC000000477226 471364032 /nfs/dbraw/zinc/36/40/32/471364032.db2.gz SYZDQPNTCSOPKH-UHFFFAOYSA-N 0 0 331.441 2.521 50 0 EFAARN COC(=O)c1sc(NC(=O)c2cccs2)c(C(=O)OC)c1C ZINC000000474180 471364358 /nfs/dbraw/zinc/36/43/58/471364358.db2.gz XHTMWHNEEQHQNW-UHFFFAOYSA-N 0 0 339.394 2.944 50 0 EFAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cccs2)c1 ZINC000000474364 471364378 /nfs/dbraw/zinc/36/43/78/471364378.db2.gz CJIHKSHJKNKBIO-SOFGYWHQSA-N 0 0 345.376 2.973 50 0 EFAARN COC(=O)c1cc(NC(=O)c2ccccc2C)cc(C(=O)OC)c1 ZINC000000478062 471364611 /nfs/dbraw/zinc/36/46/11/471364611.db2.gz WASLKBQLIJKRPA-UHFFFAOYSA-N 0 0 327.336 2.821 50 0 EFAARN Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)o1 ZINC000000483739 471364837 /nfs/dbraw/zinc/36/48/37/471364837.db2.gz NITKLGPCYGJQBY-UHFFFAOYSA-N 0 0 336.394 2.854 50 0 EFAARN Cc1nn(C(=O)CCC(=O)N2CCCCC2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000488532 471365230 /nfs/dbraw/zinc/36/52/30/471365230.db2.gz RMZYOQILAOZFRZ-FZKQIMNGSA-N 0 0 329.444 2.920 50 0 biogenic EFAARN COc1ccc(Cn2cnc3c4ccc(OC)cc4[nH]c3c2=O)cc1 ZINC000000489411 471365380 /nfs/dbraw/zinc/36/53/80/471365380.db2.gz RSPOEVZKPMMQTI-UHFFFAOYSA-N 0 0 335.363 2.943 50 0 biogenic EFAARN COc1ccc(N2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000486220 471365759 /nfs/dbraw/zinc/36/57/59/471365759.db2.gz FOROKZVZOVPMHO-QGZVFWFLSA-N 0 0 335.363 2.844 50 0 EFAARN Cc1csc2nc(CSc3nnnn3-c3ccccc3)cn12 ZINC000000503569 471366231 /nfs/dbraw/zinc/36/62/31/471366231.db2.gz MRYYZJNWFCAYIJ-UHFFFAOYSA-N 0 0 328.426 2.972 50 0 EFAARN COc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2)cc1 ZINC000000508437 471366283 /nfs/dbraw/zinc/36/62/83/471366283.db2.gz QTFMTZHQZODFIO-UHFFFAOYSA-N 0 0 330.409 2.896 50 0 EFAARN CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000490946 471366290 /nfs/dbraw/zinc/36/62/90/471366290.db2.gz JYSIRAYYTUQZMP-CYBMUJFWSA-N 0 0 334.372 2.611 50 0 biogenic EFAARN NC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000508371 471366326 /nfs/dbraw/zinc/36/63/26/471366326.db2.gz MVKVYMIXUFASJO-UHFFFAOYSA-N 0 0 333.800 2.566 50 0 EFAARN COc1ccc(OC)c(NC(=S)NC(=O)C=Cc2ccco2)c1 ZINC000000503130 471366374 /nfs/dbraw/zinc/36/63/74/471366374.db2.gz DILRNYADGCDRSR-SOFGYWHQSA-N 0 0 332.381 2.823 50 0 EFAARN CC(=O)N(C)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000000503134 471366440 /nfs/dbraw/zinc/36/64/40/471366440.db2.gz GRJOWGDLZJKCCB-MDZDMXLPSA-N 0 0 343.408 2.789 50 0 EFAARN COc1ccc2c(c1)[nH]c1c2ncn(CCc2ccc(O)cc2)c1=O ZINC000000489858 471366483 /nfs/dbraw/zinc/36/64/83/471366483.db2.gz JTEGTABRELRPOW-UHFFFAOYSA-N 0 0 335.363 2.835 50 0 biogenic EFAARN NNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 ZINC000000503364 471366886 /nfs/dbraw/zinc/36/68/86/471366886.db2.gz LVHFKRZUPJTNJH-UHFFFAOYSA-N 0 0 340.452 2.865 50 0 EFAARN COc1cccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)c1 ZINC000000498913 471366908 /nfs/dbraw/zinc/36/69/08/471366908.db2.gz UEOWVLKHKFRQAT-WJDWOHSUSA-N 0 0 349.415 2.683 50 0 EFAARN COc1ccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000514367 471368135 /nfs/dbraw/zinc/36/81/35/471368135.db2.gz DKYQCTCFASKTIN-GFCCVEGCSA-N 0 0 329.352 2.508 50 0 EFAARN O=C(NCc1ccc2c(c1)OCO2)NC(C(F)(F)F)C(F)(F)F ZINC000000509462 471368241 /nfs/dbraw/zinc/36/82/41/471368241.db2.gz SFZULOQJEHZVKT-UHFFFAOYSA-N 0 0 344.211 2.708 50 0 EFAARN COc1cccc(Cn2cnc3c4ccccc4[nH]c3c2=O)c1OC ZINC000000526307 471368825 /nfs/dbraw/zinc/36/88/25/471368825.db2.gz YPAZFGDTLYRDSH-UHFFFAOYSA-N 0 0 335.363 2.943 50 0 biogenic EFAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000000528667 471368838 /nfs/dbraw/zinc/36/88/38/471368838.db2.gz LNLUAOLCFPGIEA-UHFFFAOYSA-N 0 0 327.446 2.538 50 0 EFAARN COC(=O)c1cc(Br)c(=O)n(-c2cccc(F)c2)c1 ZINC000000528919 471368861 /nfs/dbraw/zinc/36/88/61/471368861.db2.gz KKTQKPMGUKEJED-UHFFFAOYSA-N 0 0 326.121 2.526 50 0 EFAARN CC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000000527204 471369152 /nfs/dbraw/zinc/36/91/52/471369152.db2.gz UUIBULQVFCMBIS-UHFFFAOYSA-N 0 0 332.407 2.965 50 0 EFAARN CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 ZINC000000543347 471369418 /nfs/dbraw/zinc/36/94/18/471369418.db2.gz MPGBRPAZRZFXGY-LDDOYCOJSA-N 0 0 347.798 2.578 50 0 EFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(C)=O)c1 ZINC000000543654 471369620 /nfs/dbraw/zinc/36/96/20/471369620.db2.gz YIOYCRIYTBDSOQ-KRWDZBQOSA-N 0 0 340.379 2.795 50 0 EFAARN O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccccn1 ZINC000000542573 471369635 /nfs/dbraw/zinc/36/96/35/471369635.db2.gz ABRQBNCUHYIZSK-OAHLLOKOSA-N 0 0 337.162 2.801 50 0 EFAARN O=C(NC(=S)NCc1ccco1)c1ccc(Br)cc1 ZINC000000546944 471369701 /nfs/dbraw/zinc/36/97/01/471369701.db2.gz YOQFOGHAEAFQQB-UHFFFAOYSA-N 0 0 339.214 2.847 50 0 EFAARN Fc1ccc2[nH]c3c(ncnc3N3CCN(c4ccccn4)CC3)c2c1 ZINC000000536890 471369944 /nfs/dbraw/zinc/36/99/44/471369944.db2.gz LIRNUEHEVMDQTP-UHFFFAOYSA-N 0 0 348.385 2.972 50 0 EFAARN Cc1nnc2sc(-c3cccc(NC(=O)c4cccnc4)c3)nn12 ZINC000000558309 471370218 /nfs/dbraw/zinc/37/02/18/471370218.db2.gz NMPFRVZQTAKMBJ-UHFFFAOYSA-N 0 0 336.380 2.809 50 0 EFAARN COc1cccc(OC)c1C(=O)NC(=S)NCc1ccccc1 ZINC000000559840 471370273 /nfs/dbraw/zinc/37/02/73/471370273.db2.gz DXTZJEWNMPTQKZ-UHFFFAOYSA-N 0 0 330.409 2.508 50 0 EFAARN CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 ZINC000000550971 471370817 /nfs/dbraw/zinc/37/08/17/471370817.db2.gz NPIXVOLZWXDWQX-GFCCVEGCSA-N 0 0 345.424 2.922 50 0 EFAARN CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2)cc1 ZINC000000555597 471370845 /nfs/dbraw/zinc/37/08/45/471370845.db2.gz LJNXQCQZTXTBKL-UHFFFAOYSA-N 0 0 333.409 2.617 50 0 EFAARN CN1C(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1=O ZINC000000567835 471371300 /nfs/dbraw/zinc/37/13/00/471371300.db2.gz UJFXWAXQVQFGKW-UHFFFAOYSA-N 0 0 344.754 2.583 50 0 EFAARN COc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000581600 471372786 /nfs/dbraw/zinc/37/27/86/471372786.db2.gz YKFTVDINAXQKBJ-UHFFFAOYSA-N 0 0 344.386 2.562 50 0 EFAARN Cc1cc(=O)oc2cc(NC(=S)N3C[C@@H](C)O[C@H](C)C3)ccc12 ZINC000000610049 471373055 /nfs/dbraw/zinc/37/30/55/471373055.db2.gz WELWMTAHJIYHKP-VXGBXAGGSA-N 0 0 332.425 2.907 50 0 EFAARN CCOc1cc(C=O)cc(Br)c1O[C@H](C)C(=O)OC ZINC000000612910 471373422 /nfs/dbraw/zinc/37/34/22/471373422.db2.gz KESJREQXWPBFRJ-MRVPVSSYSA-N 0 0 331.162 2.601 50 0 EFAARN COC(=O)c1ccccc1NC(=O)NCc1ccc2c(c1)OCO2 ZINC000000611014 471373922 /nfs/dbraw/zinc/37/39/22/471373922.db2.gz BTFIGONHUHNPAI-UHFFFAOYSA-N 0 0 328.324 2.524 50 0 EFAARN CCN(CC)C(=O)CSc1nnnn1-c1cccc2ccccc21 ZINC000000615871 471374088 /nfs/dbraw/zinc/37/40/88/471374088.db2.gz WFGMSJLIBHBRRU-UHFFFAOYSA-N 0 0 341.440 2.776 50 0 EFAARN CCn1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C(N)=O ZINC000000612055 471374176 /nfs/dbraw/zinc/37/41/76/471374176.db2.gz SDBWWWAVXOGLEZ-UHFFFAOYSA-N 0 0 341.293 2.665 50 0 EFAARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1C(F)(F)F ZINC000000617859 471374492 /nfs/dbraw/zinc/37/44/92/471374492.db2.gz BTHKCQQUEAEYOU-GFCCVEGCSA-N 0 0 338.289 2.759 50 0 EFAARN Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccccc1 ZINC000000620322 471374552 /nfs/dbraw/zinc/37/45/52/471374552.db2.gz TVPHFGAOWBNDTF-UHFFFAOYSA-N 0 0 330.457 2.977 50 0 EFAARN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OCC)c2)NC(=O)N1 ZINC000000618666 471374781 /nfs/dbraw/zinc/37/47/81/471374781.db2.gz JKKBGUAJYBTCNH-MRXNPFEDSA-N 0 0 348.399 2.762 50 0 EFAARN COc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1 ZINC000000806055 471375747 /nfs/dbraw/zinc/37/57/47/471375747.db2.gz IFLWMJNBKLQJDR-UHFFFAOYSA-N 0 0 328.347 2.749 50 0 EFAARN Cc1ccc(-n2ncc3c2ncn(Cc2ccccn2)c3=O)cc1C ZINC000000807126 471375972 /nfs/dbraw/zinc/37/59/72/471375972.db2.gz KAHVRZQSGJCABN-UHFFFAOYSA-N 0 0 331.379 2.642 50 0 EFAARN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000000814703 471376020 /nfs/dbraw/zinc/37/60/20/471376020.db2.gz HBRXFMMOABLOMX-UHFFFAOYSA-N 0 0 338.772 2.586 50 0 EFAARN Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1C ZINC000001005927 471378647 /nfs/dbraw/zinc/37/86/47/471378647.db2.gz CKRNEFQDDWCFQZ-NTUHNPAUSA-N 0 0 336.413 2.630 50 0 EFAARN COC(=O)c1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001006426 471378695 /nfs/dbraw/zinc/37/86/95/471378695.db2.gz ZPANFPLASHCIBN-UHFFFAOYSA-N 0 0 346.335 2.718 50 0 EFAARN NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1CCCO1 ZINC000001052411 471379691 /nfs/dbraw/zinc/37/96/91/471379691.db2.gz CGZHVBVZZHGJDB-CQSZACIVSA-N 0 0 330.409 2.555 50 0 EFAARN CCOC(=O)c1cc(NC(=O)c2ccco2)cc(C(=O)OCC)c1 ZINC000001053845 471379918 /nfs/dbraw/zinc/37/99/18/471379918.db2.gz IWBPHKLRXGYSCM-UHFFFAOYSA-N 0 0 331.324 2.885 50 0 EFAARN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000001057010 471380159 /nfs/dbraw/zinc/38/01/59/471380159.db2.gz PQMQLDTZMYZUHA-UHFFFAOYSA-N 0 0 338.816 2.642 50 0 EFAARN Cc1ccc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 ZINC000001049095 471380284 /nfs/dbraw/zinc/38/02/84/471380284.db2.gz QPLJTZAKSXGXRZ-SFHVURJKSA-N 0 0 334.419 2.933 50 0 EFAARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cccc(OC)c1 ZINC000001025421 471380373 /nfs/dbraw/zinc/38/03/73/471380373.db2.gz OVPPZSJXYJOULX-HNNXBMFYSA-N 0 0 346.408 2.518 50 0 EFAARN CN1c2ccccc2[C@@](O)(CC(=O)c2ccc3ccccc3c2O)C1=O ZINC000001064193 471381462 /nfs/dbraw/zinc/38/14/62/471381462.db2.gz UIIHNNCGCDUWMK-NRFANRHFSA-N 0 0 347.370 2.982 50 0 EFAARN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1 ZINC000001061906 471381516 /nfs/dbraw/zinc/38/15/16/471381516.db2.gz YPURQYDNHNSNTD-UHFFFAOYSA-N 0 0 347.440 2.509 50 0 EFAARN COc1ccc(NC(=S)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000001069126 471381543 /nfs/dbraw/zinc/38/15/43/471381543.db2.gz ZAMJMKKERKSZIM-CQSZACIVSA-N 0 0 347.484 2.726 50 0 EFAARN Cc1c(C)n(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000001169869 471382875 /nfs/dbraw/zinc/38/28/75/471382875.db2.gz MIFUWKLBFFZBEJ-OAHLLOKOSA-N 0 0 348.402 2.915 50 0 EFAARN CCCc1nnc(NC(=O)CCC(=O)NCc2ccc(C)cc2)s1 ZINC000001257105 471383539 /nfs/dbraw/zinc/38/35/39/471383539.db2.gz MISPEFWSWAVKAQ-UHFFFAOYSA-N 0 0 346.456 2.834 50 0 EFAARN Cc1ccc(N2C(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000001252325 471383667 /nfs/dbraw/zinc/38/36/67/471383667.db2.gz KCAUCQNOPXUCJP-IRXDYDNUSA-N 0 0 342.420 2.607 50 0 EFAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)c1 ZINC000001272960 471384134 /nfs/dbraw/zinc/38/41/34/471384134.db2.gz WVXUBZBHCKIXDK-HNNXBMFYSA-N 0 0 347.378 2.770 50 0 EFAARN COc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Cl)cc1)C(=O)N2 ZINC000001320666 471384815 /nfs/dbraw/zinc/38/48/15/471384815.db2.gz SJUDIDAKJMIDBS-QGZVFWFLSA-N 0 0 331.755 2.761 50 0 EFAARN CN(C)c1ncc(S(C)(=O)=O)c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000001393340 471388131 /nfs/dbraw/zinc/38/81/31/471388131.db2.gz WJTRNRNRLVBZAV-UHFFFAOYSA-N 0 0 346.239 2.920 50 0 EFAARN CCOC(=O)c1ccc(-n2cc(C(=O)c3cccs3)nn2)cc1 ZINC000001392893 471388207 /nfs/dbraw/zinc/38/82/07/471388207.db2.gz VJGNIPZIWYUIOA-UHFFFAOYSA-N 0 0 327.365 2.737 50 0 EFAARN Cc1ccc(CS(=O)(=O)c2nc3c(c(N(C)C)n2)CCCC3)cc1 ZINC000001393958 471388274 /nfs/dbraw/zinc/38/82/74/471388274.db2.gz WJSQJOLDNRNNAB-UHFFFAOYSA-N 0 0 345.468 2.704 50 0 EFAARN C[C@@H]1CN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)C[C@@H](C)O1 ZINC000001390235 471388305 /nfs/dbraw/zinc/38/83/05/471388305.db2.gz PUCLHCHZILQJJL-GHMZBOCLSA-N 0 0 341.333 2.691 50 0 EFAARN O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)c1ccc(Cl)nc1 ZINC000001393995 471388375 /nfs/dbraw/zinc/38/83/75/471388375.db2.gz CJEHMINDRCRATP-SNVBAGLBSA-N 0 0 343.813 2.872 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000001386120 471388393 /nfs/dbraw/zinc/38/83/93/471388393.db2.gz XPSQTCLKSZHWPD-UHFFFAOYSA-N 0 0 331.315 2.843 50 0 EFAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)cc1 ZINC000001389850 471388432 /nfs/dbraw/zinc/38/84/32/471388432.db2.gz KXBAETLQLYVJBR-HNNXBMFYSA-N 0 0 330.409 2.886 50 0 EFAARN O=S(=O)(CCOc1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000001392789 471388449 /nfs/dbraw/zinc/38/84/49/471388449.db2.gz XRXGWQJMPDINBP-UHFFFAOYSA-N 0 0 330.365 2.589 50 0 EFAARN O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1 ZINC000001409854 471389512 /nfs/dbraw/zinc/38/95/12/471389512.db2.gz LRSLTLNSTFMZBD-UHFFFAOYSA-N 0 0 346.799 2.636 50 0 EFAARN CN(C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000001402882 471389734 /nfs/dbraw/zinc/38/97/34/471389734.db2.gz PQXMEUICAUXXIE-UHFFFAOYSA-N 0 0 337.828 2.918 50 0 EFAARN O=C(c1cccs1)n1nc(Br)nc1Br ZINC000001405631 471389848 /nfs/dbraw/zinc/38/98/48/471389848.db2.gz JJPUJWAKDQBPHN-UHFFFAOYSA-N 0 0 336.996 2.553 50 0 EFAARN Cc1cc(C)c(S(C)(=O)=O)c([S@](=O)c2ccc(Cl)cc2)n1 ZINC000001398145 471390167 /nfs/dbraw/zinc/39/01/67/471390167.db2.gz UAIVJYOGCVIBDP-FQEVSTJZSA-N 0 0 343.857 2.922 50 0 EFAARN O=S(=O)(C[C@@H](O)COc1ccccc1Cl)c1ccccc1 ZINC000001399266 471390289 /nfs/dbraw/zinc/39/02/89/471390289.db2.gz PDPAERLOHOYOJF-LBPRGKRZSA-N 0 0 326.801 2.554 50 0 EFAARN COc1ccc(CNC(=O)c2nc(-c3cccs3)no2)cc1OC ZINC000001426607 471390913 /nfs/dbraw/zinc/39/09/13/471390913.db2.gz GTPGKUSDWCPMBV-UHFFFAOYSA-N 0 0 345.380 2.745 50 0 EFAARN COc1c(C)cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000001426310 471391100 /nfs/dbraw/zinc/39/11/00/471391100.db2.gz NKXJAEIESOPODH-UHFFFAOYSA-N 0 0 349.408 2.884 50 0 EFAARN C[C@]12CC(C)(C)NC(=S)N1[C@@H](Cc1c[nH]c3ccccc13)C(=O)O2 ZINC000001428959 471391158 /nfs/dbraw/zinc/39/11/58/471391158.db2.gz MAXHHMPWNKIELD-KSSFIOAISA-N 0 0 343.452 2.711 50 0 EFAARN CCOC(=O)c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001430082 471391194 /nfs/dbraw/zinc/39/11/94/471391194.db2.gz JLGJRQBLAOQCEM-UHFFFAOYSA-N 0 0 339.273 2.924 50 0 EFAARN Nc1nn(-c2ccccc2)nc1C(=O)OCc1c(F)cccc1Cl ZINC000001429456 471391275 /nfs/dbraw/zinc/39/12/75/471391275.db2.gz AFIWFRFPKFERHE-UHFFFAOYSA-N 0 0 346.749 2.999 50 0 EFAARN CCn1ncc(Br)c1C(=O)NCc1ccc(F)cc1 ZINC000001430381 471391293 /nfs/dbraw/zinc/39/12/93/471391293.db2.gz QCOHGPKVKYKZCL-UHFFFAOYSA-N 0 0 326.169 2.735 50 0 EFAARN CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000001426117 471391325 /nfs/dbraw/zinc/39/13/25/471391325.db2.gz GWCWRGACWBCTBK-GFCCVEGCSA-N 0 0 345.428 2.736 50 0 EFAARN COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001466625 471391864 /nfs/dbraw/zinc/39/18/64/471391864.db2.gz UUPAHRMDLLEOMP-UHFFFAOYSA-N 0 0 344.754 2.583 50 0 EFAARN COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000001456530 471392411 /nfs/dbraw/zinc/39/24/11/471392411.db2.gz IKFFQRNLKOUNNA-INIZCTEOSA-N 0 0 340.423 2.811 50 0 EFAARN CC(=O)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 ZINC000001461172 471392669 /nfs/dbraw/zinc/39/26/69/471392669.db2.gz VZFJMXZNILLZSU-ZDUSSCGKSA-N 0 0 325.320 2.815 50 0 EFAARN CCCCC(=O)N1CC2(C)CN(C(=O)CCCC)CC(C)(C1)C2=O ZINC000001754421 471397467 /nfs/dbraw/zinc/39/74/67/471397467.db2.gz CLYIQTRBQWHFKU-UHFFFAOYSA-N 0 0 336.476 2.633 50 0 biogenic EFAARN CCOC(=O)CNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000001776713 471397672 /nfs/dbraw/zinc/39/76/72/471397672.db2.gz WZGCGBJMTLASER-UHFFFAOYSA-N 0 0 343.408 2.688 50 0 EFAARN CCOCCOC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000001778588 471397815 /nfs/dbraw/zinc/39/78/15/471397815.db2.gz RISFUNXTYPCQFT-UHFFFAOYSA-N 0 0 326.443 2.980 50 0 EFAARN CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000001803075 471397865 /nfs/dbraw/zinc/39/78/65/471397865.db2.gz PFQRURGRRBJRFH-KBPBESRZSA-N 0 0 327.446 2.663 50 0 EFAARN O=c1[nH]c2ccc(S(=O)(=O)Oc3cccc4ccccc43)cc2[nH]1 ZINC000001805625 471397958 /nfs/dbraw/zinc/39/79/58/471397958.db2.gz KCVKCDIDUBYMOS-UHFFFAOYSA-N 0 0 340.360 2.777 50 0 EFAARN CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000001803073 471397982 /nfs/dbraw/zinc/39/79/82/471397982.db2.gz PFQRURGRRBJRFH-ZIAGYGMSSA-N 0 0 327.446 2.663 50 0 EFAARN COc1ccc(NC(=O)CSCC(=O)NCc2ccccc2)cc1 ZINC000001892656 471398745 /nfs/dbraw/zinc/39/87/45/471398745.db2.gz MEYDGXYHAFWGRU-UHFFFAOYSA-N 0 0 344.436 2.683 50 0 EFAARN Cc1ccc(NC(=O)CSCC(=O)NCc2ccccc2)cc1 ZINC000001892679 471399051 /nfs/dbraw/zinc/39/90/51/471399051.db2.gz GNXURKKQECRZCP-UHFFFAOYSA-N 0 0 328.437 2.983 50 0 EFAARN CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC ZINC000001830938 471399176 /nfs/dbraw/zinc/39/91/76/471399176.db2.gz KQGFTTRARDALQE-UHFFFAOYSA-N 0 0 338.477 2.896 50 0 EFAARN O=C(Cn1nnc(-c2ccccc2)n1)c1ccc(OC(F)F)cc1 ZINC000001811910 471399546 /nfs/dbraw/zinc/39/95/46/471399546.db2.gz VACSHBJEMOFVQS-UHFFFAOYSA-N 0 0 330.294 2.824 50 0 EFAARN Cc1cc2c(ncn(CC(=O)N3CCCc4ccccc43)c2=O)s1 ZINC000001971288 471400272 /nfs/dbraw/zinc/40/02/72/471400272.db2.gz VGIVLHAQVFHBSQ-UHFFFAOYSA-N 0 0 339.420 2.746 50 0 EFAARN CCCCNC(=O)Nc1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000002050175 471400991 /nfs/dbraw/zinc/40/09/91/471400991.db2.gz CFPOKRPHFYVLTK-AWEZNQCLSA-N 0 0 348.321 2.531 50 0 EFAARN COC(=O)c1c(C)scc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002184152 471402305 /nfs/dbraw/zinc/40/23/05/471402305.db2.gz UYZRYGKXKVTXFP-UHFFFAOYSA-N 0 0 326.395 2.919 50 0 EFAARN CCCNC(=O)CSC1=N/C(=C/c2ccc(F)cc2)C(=O)N1CC ZINC000002184420 471403143 /nfs/dbraw/zinc/40/31/43/471403143.db2.gz IYIKMZGINDKKRJ-GXDHUFHOSA-N 0 0 349.431 2.644 50 0 EFAARN COc1cc2c(cc1OC)-c1cc(NCC(C)C)nc(=O)n1CC2 ZINC000002138682 471403171 /nfs/dbraw/zinc/40/31/71/471403171.db2.gz DUSYOFHPZYERID-UHFFFAOYSA-N 0 0 329.400 2.552 50 0 biogenic EFAARN CCn1c(=O)c2c(nc1NCCO)-c1ccccc1C[C@@]2(C)CC ZINC000002255006 471404426 /nfs/dbraw/zinc/40/44/26/471404426.db2.gz YXAQHTAMNWEFBR-LJQANCHMSA-N 0 0 327.428 2.558 50 0 EFAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccco1 ZINC000002225129 471404463 /nfs/dbraw/zinc/40/44/63/471404463.db2.gz DAPOJQVHRRONEQ-MRXNPFEDSA-N 0 0 336.351 2.860 50 0 EFAARN CCCc1nc2oc3c(ncnc3NN)c2c2c1COC(C)(C)C2 ZINC000002242275 471404530 /nfs/dbraw/zinc/40/45/30/471404530.db2.gz QJBQIPPVMLKKBB-UHFFFAOYSA-N 0 0 327.388 2.860 50 0 EFAARN O=C1[C@@H]2[C@@H](C(=O)N1CCCCO)C1c3ccccc3C2c2ccccc21 ZINC000002302618 471404870 /nfs/dbraw/zinc/40/48/70/471404870.db2.gz VBTDEFXEKZEBDN-GUMHCPJTSA-N 0 0 347.414 2.651 50 0 EFAARN CCCCOC(=O)COC(=O)c1cc(Br)ccc1O ZINC000002278236 471405182 /nfs/dbraw/zinc/40/51/82/471405182.db2.gz FHPXCCBKBHDYQA-UHFFFAOYSA-N 0 0 331.162 2.655 50 0 EFAARN COc1ccc(-c2noc(CCC(=O)NCc3ccccc3)n2)cc1 ZINC000002340120 471405321 /nfs/dbraw/zinc/40/53/21/471405321.db2.gz BLTKZGLXYGWWRN-UHFFFAOYSA-N 0 0 337.379 2.994 50 0 EFAARN CCOC(=O)N[C@@](Nc1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000002274905 471406009 /nfs/dbraw/zinc/40/60/09/471406009.db2.gz SKNOMWTZPMUKNL-ZDUSSCGKSA-N 0 0 334.294 2.666 50 0 EFAARN Cc1cc(OC(=O)CNC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 ZINC000002415225 471406668 /nfs/dbraw/zinc/40/66/68/471406668.db2.gz RWUFAEVJYHDDES-UHFFFAOYSA-N 0 0 347.367 2.840 50 0 biogenic EFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1Cl ZINC000002414922 471407064 /nfs/dbraw/zinc/40/70/64/471407064.db2.gz IZMJPMLFVWOYAY-INIZCTEOSA-N 0 0 346.814 2.924 50 0 EFAARN O=C(CCCCC(=O)n1nnc2ccccc21)n1nnc2ccccc21 ZINC000002378058 471407407 /nfs/dbraw/zinc/40/74/07/471407407.db2.gz UZNKHBFLPCZKEX-UHFFFAOYSA-N 0 0 348.366 2.717 50 0 EFAARN Cc1nnc(NC(=O)CSc2nccn2-c2ccccc2)s1 ZINC000002468143 471408158 /nfs/dbraw/zinc/40/81/58/471408158.db2.gz PCBDDZMTZPRTEN-UHFFFAOYSA-N 0 0 331.426 2.763 50 0 EFAARN c1nc2c3c4c(sc3nc(NC[C@@H]3CCCO3)n2n1)CCCC4 ZINC000002453877 471408864 /nfs/dbraw/zinc/40/88/64/471408864.db2.gz UHQDOJIRYWPXKW-JTQLQIEISA-N 0 0 329.429 2.809 50 0 EFAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1 ZINC000002474402 471408873 /nfs/dbraw/zinc/40/88/73/471408873.db2.gz VIZUXHWYDJXQLK-FZMZJTMJSA-N 0 0 330.409 2.898 50 0 EFAARN Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002436122 471408994 /nfs/dbraw/zinc/40/89/94/471408994.db2.gz GBWMDPHRFOWTEA-UHFFFAOYSA-N 0 0 346.818 2.779 50 0 EFAARN NC(=O)c1c2c(sc1NC(=O)c1cc(C3CC3)on1)CCCC2 ZINC000002498005 471409741 /nfs/dbraw/zinc/40/97/41/471409741.db2.gz IQLGEZKTANAVOK-UHFFFAOYSA-N 0 0 331.397 2.844 50 0 EFAARN COC(=O)c1[nH]c(C(=O)OC)c(CC(F)(F)F)c1CC(F)(F)F ZINC000002519545 471409758 /nfs/dbraw/zinc/40/97/58/471409758.db2.gz IBADBUJZSCSEPJ-UHFFFAOYSA-N 0 0 347.211 2.798 50 0 EFAARN CN(C)c1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000002494614 471410033 /nfs/dbraw/zinc/41/00/33/471410033.db2.gz SCMTWVFQAFMIAU-UHFFFAOYSA-N 0 0 331.803 2.661 50 0 EFAARN CCOc1ccc(CC(=O)Nc2ccccc2C(N)=O)cc1OCC ZINC000002550679 471411164 /nfs/dbraw/zinc/41/11/64/471411164.db2.gz BCKYGTPLUURCBY-UHFFFAOYSA-N 0 0 342.395 2.764 50 0 EFAARN CCOc1cc(CO)ccc1OCC(=O)Nc1ccccc1OC ZINC000002554743 471411239 /nfs/dbraw/zinc/41/12/39/471411239.db2.gz ACJRVBLDOQUFJK-UHFFFAOYSA-N 0 0 331.368 2.604 50 0 EFAARN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(F)cc1)C(=O)C2 ZINC000002571053 471411250 /nfs/dbraw/zinc/41/12/50/471411250.db2.gz OLJYOUUYADDDJN-CXAGYDPISA-N 0 0 339.432 2.641 50 0 EFAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000002618316 471412155 /nfs/dbraw/zinc/41/21/55/471412155.db2.gz ZQJZNCRDIYNMCH-UHFFFAOYSA-N 0 0 333.727 2.864 50 0 EFAARN CCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000002594899 471412692 /nfs/dbraw/zinc/41/26/92/471412692.db2.gz SOBRWXZIGPLFCK-UHFFFAOYSA-N 0 0 337.851 2.993 50 0 EFAARN O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc2ccccc2c1 ZINC000002593096 471412853 /nfs/dbraw/zinc/41/28/53/471412853.db2.gz QWNMSVLCVWTAQO-UHFFFAOYSA-N 0 0 347.370 2.996 50 0 EFAARN Cc1ccccc1-c1nnn(CC(=O)NCc2ccccc2Cl)n1 ZINC000002653774 471415383 /nfs/dbraw/zinc/41/53/83/471415383.db2.gz BMKHYGHEMCJMAK-UHFFFAOYSA-N 0 0 341.802 2.618 50 0 EFAARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(Cl)cc1 ZINC000002680434 471415828 /nfs/dbraw/zinc/41/58/28/471415828.db2.gz OTRLUXHCUPBQBG-UHFFFAOYSA-N 0 0 329.739 2.932 50 0 EFAARN Cc1ccc(S(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1C ZINC000002687258 471416093 /nfs/dbraw/zinc/41/60/93/471416093.db2.gz KCIUGRNFJVRBOL-UHFFFAOYSA-N 0 0 330.361 2.948 50 0 EFAARN COc1ccc(S(=O)(=O)c2cc3ccccc3oc2=O)cc1OC ZINC000002689567 471416310 /nfs/dbraw/zinc/41/63/10/471416310.db2.gz KEUYEJCLWRGAEJ-UHFFFAOYSA-N 0 0 346.360 2.643 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2=O)cc1 ZINC000002662518 471416462 /nfs/dbraw/zinc/41/64/62/471416462.db2.gz FPHQEMGOHKHRFA-UHFFFAOYSA-N 0 0 338.363 2.837 50 0 EFAARN CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O ZINC000002710993 471417197 /nfs/dbraw/zinc/41/71/97/471417197.db2.gz FCCMHVOATGHCGO-GJZGRUSLSA-N 0 0 348.468 2.901 50 0 EFAARN CC[C@@H]1S[C@@H](CC)C(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000002710987 471417335 /nfs/dbraw/zinc/41/73/35/471417335.db2.gz QLIGHIWRMFDCBJ-GJZGRUSLSA-N 0 0 348.468 2.901 50 0 EFAARN CCCS(=O)(=O)N1CCN=C1SCc1ccccc1Cl ZINC000002711598 471417566 /nfs/dbraw/zinc/41/75/66/471417566.db2.gz GZHOOXDGHFNYTJ-UHFFFAOYSA-N 0 0 332.878 2.985 50 0 EFAARN Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)o2)no1 ZINC000002720448 471417921 /nfs/dbraw/zinc/41/79/21/471417921.db2.gz LNJCRACFJQFLJS-UHFFFAOYSA-N 0 0 346.368 2.676 50 0 EFAARN O=C(NCCCn1ccnc1)c1ccccc1C(=O)c1ccccc1 ZINC000002745355 471419479 /nfs/dbraw/zinc/41/94/79/471419479.db2.gz LVIAKCSZJASKLW-UHFFFAOYSA-N 0 0 333.391 2.934 50 0 EFAARN COCCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002768903 471419832 /nfs/dbraw/zinc/41/98/32/471419832.db2.gz CEHLVCBCVKYRDS-UHFFFAOYSA-N 0 0 346.337 2.710 50 0 EFAARN CCn1ncc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000002766946 471419930 /nfs/dbraw/zinc/41/99/30/471419930.db2.gz AKHABYUNOIYPSG-UHFFFAOYSA-N 0 0 348.255 2.997 50 0 EFAARN Cc1c(/C=C/C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cnn1C ZINC000002770078 471419951 /nfs/dbraw/zinc/41/99/51/471419951.db2.gz HEFNOCMZNDICOK-VMPITWQZSA-N 0 0 339.374 2.764 50 0 EFAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 ZINC000002760135 471420192 /nfs/dbraw/zinc/42/01/92/471420192.db2.gz HMEFUXJAQKKRAW-CYBMUJFWSA-N 0 0 347.440 2.949 50 0 EFAARN CCOC(=O)[C@](O)(CC(=O)Nc1cccc(Cl)c1)C(F)(F)F ZINC000002769657 471420311 /nfs/dbraw/zinc/42/03/11/471420311.db2.gz DWEWCYDXQAJNKR-GFCCVEGCSA-N 0 0 339.697 2.525 50 0 EFAARN Cc1c(Br)c(C(=O)Nc2cccnc2Cl)nn1C ZINC000002760090 471420487 /nfs/dbraw/zinc/42/04/87/471420487.db2.gz SRVTWTWNNPCSSX-UHFFFAOYSA-N 0 0 329.585 2.792 50 0 EFAARN Cc1nn(C)c(C(=O)Nc2ncn(Cc3cccc(C)c3)n2)c1Cl ZINC000002785953 471420943 /nfs/dbraw/zinc/42/09/43/471420943.db2.gz JYYZLAHFPMDTQV-UHFFFAOYSA-N 0 0 344.806 2.582 50 0 EFAARN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000002792537 471421441 /nfs/dbraw/zinc/42/14/41/471421441.db2.gz DGHXLJZWEHLSJF-UHFFFAOYSA-N 0 0 328.368 2.757 50 0 EFAARN CCn1cc(CNC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cn1 ZINC000002804063 471422560 /nfs/dbraw/zinc/42/25/60/471422560.db2.gz ZHEGECCGZMORFJ-CYBMUJFWSA-N 0 0 330.432 2.972 50 0 EFAARN COC(=O)[C@H]1CCCN1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000002803403 471422901 /nfs/dbraw/zinc/42/29/01/471422901.db2.gz RXVMZMULPWVZPQ-DGCLKSJQSA-N 0 0 334.416 2.603 50 0 EFAARN CCCNC(=O)c1nn(CC)cc1NC(=O)c1c(F)cccc1F ZINC000002795669 471422953 /nfs/dbraw/zinc/42/29/53/471422953.db2.gz LFSORFLOKMWQOS-UHFFFAOYSA-N 0 0 336.342 2.573 50 0 EFAARN COC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1OC ZINC000002821327 471423751 /nfs/dbraw/zinc/42/37/51/471423751.db2.gz WECOSTVISIRGIW-VBKFSLOCSA-N 0 0 341.363 2.648 50 0 EFAARN COc1cc(N2C(=O)CCC2=O)ccc1NC(=O)Cc1ccccc1 ZINC000002840522 471424080 /nfs/dbraw/zinc/42/40/80/471424080.db2.gz MSUKCIWTBPCDLG-UHFFFAOYSA-N 0 0 338.363 2.530 50 0 EFAARN C[C@H]1CCc2onc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2C1 ZINC000002805462 471424249 /nfs/dbraw/zinc/42/42/49/471424249.db2.gz DZVIIRYRDMKAMP-QMMMGPOBSA-N 0 0 328.294 2.811 50 0 EFAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccncc1 ZINC000002850318 471425502 /nfs/dbraw/zinc/42/55/02/471425502.db2.gz WKMJFDOMIIUGJC-LLVKDONJSA-N 0 0 335.201 2.928 50 0 EFAARN COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000002864579 471425569 /nfs/dbraw/zinc/42/55/69/471425569.db2.gz MBJSMJGCCMDZCC-UHFFFAOYSA-N 0 0 326.396 2.609 50 0 biogenic EFAARN CCCCNC(=O)c1sc(NC(C)=O)c(C(=O)OCC)c1C ZINC000002881172 471425953 /nfs/dbraw/zinc/42/59/53/471425953.db2.gz KLKFYEKVNOCRQB-UHFFFAOYSA-N 0 0 326.418 2.722 50 0 EFAARN COc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000002874657 471426381 /nfs/dbraw/zinc/42/63/81/471426381.db2.gz GDTGKTSSCKUIDW-UHFFFAOYSA-N 0 0 325.817 2.968 50 0 EFAARN CCCCOCCNC(=O)c1ccc(I)cc1 ZINC000002872926 471426415 /nfs/dbraw/zinc/42/64/15/471426415.db2.gz ZYFRHNSXLPSTTG-UHFFFAOYSA-N 0 0 347.196 2.838 50 0 EFAARN O=S(=O)(Cc1ccccc1Cl)NCCOc1ccccc1 ZINC000002873232 471426470 /nfs/dbraw/zinc/42/64/70/471426470.db2.gz KXIAPMDXXUOUGW-UHFFFAOYSA-N 0 0 325.817 2.838 50 0 EFAARN NC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000002879597 471426498 /nfs/dbraw/zinc/42/64/98/471426498.db2.gz RHDKPSJUZXTTBS-UHFFFAOYSA-N 0 0 336.435 2.809 50 0 EFAARN Cc1ccc(N([C@H](C)C(=O)NCCC(C)C)S(C)(=O)=O)cc1C ZINC000002880221 471426705 /nfs/dbraw/zinc/42/67/05/471426705.db2.gz LNOAAHYVBFGQSN-OAHLLOKOSA-N 0 0 340.489 2.620 50 0 EFAARN Cc1oc2cc(OCC(N)=O)ccc2c(=O)c1Oc1ccccc1F ZINC000002885351 471427105 /nfs/dbraw/zinc/42/71/05/471427105.db2.gz FOSQKYLZTPYVEO-UHFFFAOYSA-N 0 0 343.310 2.897 50 0 EFAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCCC[C@H]4C)n(C)c3nc12 ZINC000002917216 471427958 /nfs/dbraw/zinc/42/79/58/471427958.db2.gz ZEKNAVFVJPEWLT-CYBMUJFWSA-N 0 0 338.411 2.509 50 0 EFAARN CC[C@H]1CCCCN1C(=O)c1cc2ncc(Br)cn2n1 ZINC000002885336 471428042 /nfs/dbraw/zinc/42/80/42/471428042.db2.gz GNEXBOCFVVXXBE-NSHDSACASA-N 0 0 337.221 2.897 50 0 EFAARN COc1ccc(C(=O)NCc2cn3cccc(C)c3n2)cc1OC ZINC000002960811 471428612 /nfs/dbraw/zinc/42/86/12/471428612.db2.gz IGNHFJOXSLMCMG-UHFFFAOYSA-N 0 0 325.368 2.590 50 0 EFAARN Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1 ZINC000002994581 471430562 /nfs/dbraw/zinc/43/05/62/471430562.db2.gz PMDDKBPXJSGLNY-UHFFFAOYSA-N 0 0 332.787 2.782 50 0 aggregator EFAARN COC(=O)c1ccc(OCCOCCOc2cccc(OC)c2)cc1 ZINC000002985284 471430633 /nfs/dbraw/zinc/43/06/33/471430633.db2.gz UIOCHEXMGSULQW-UHFFFAOYSA-N 0 0 346.379 2.956 50 0 EFAARN CN(C)C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000003041700 471432188 /nfs/dbraw/zinc/43/21/88/471432188.db2.gz YXGDPMVPJUMWQW-UHFFFAOYSA-N 0 0 325.195 2.905 50 0 EFAARN CSc1nsc(SC)c1NC(=O)OCCN1CCOC1=O ZINC000003087898 471432320 /nfs/dbraw/zinc/43/23/20/471432320.db2.gz NTBJDTLTDLLVIZ-UHFFFAOYSA-N 0 0 349.459 2.588 50 0 EFAARN O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1O ZINC000003105437 471432807 /nfs/dbraw/zinc/43/28/07/471432807.db2.gz XUMODRMKFVKYTF-UHFFFAOYSA-N 0 0 341.388 2.958 50 0 EFAARN CCOC(=O)[C@](NC(C)=O)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000003138684 471433087 /nfs/dbraw/zinc/43/30/87/471433087.db2.gz NHCPHGHJDZTWRB-AWEZNQCLSA-N 0 0 332.322 2.673 50 0 EFAARN COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000003103490 471433575 /nfs/dbraw/zinc/43/35/75/471433575.db2.gz AODUKQOHZCQQMG-MRVPVSSYSA-N 0 0 330.089 2.827 50 0 EFAARN O=C(COC(=O)Cc1ccc(Cl)cc1)NCCc1ccccc1 ZINC000003235680 471437405 /nfs/dbraw/zinc/43/74/05/471437405.db2.gz WNNKJMVJPMLQNF-UHFFFAOYSA-N 0 0 331.799 2.785 50 0 EFAARN O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000003235521 471437916 /nfs/dbraw/zinc/43/79/16/471437916.db2.gz OZNRUILUONLGSN-UHFFFAOYSA-N 0 0 344.436 2.818 50 0 EFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnnn1-c1ccccc1 ZINC000003292697 471440967 /nfs/dbraw/zinc/44/09/67/471440967.db2.gz TYXADEGBMQDSKO-CHWSQXEVSA-N 0 0 331.445 2.544 50 0 EFAARN O=C(COC(=O)c1ccc(Cl)nc1)N1CCCc2ccccc21 ZINC000003314701 471441830 /nfs/dbraw/zinc/44/18/30/471441830.db2.gz WISNRRLEHMNMAI-UHFFFAOYSA-N 0 0 330.771 2.871 50 0 EFAARN Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1 ZINC000003505527 471448866 /nfs/dbraw/zinc/44/88/66/471448866.db2.gz FXDACCHYPIYYAL-UHFFFAOYSA-N 0 0 349.818 2.842 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1OC ZINC000003510911 471450248 /nfs/dbraw/zinc/45/02/48/471450248.db2.gz YFOWJXIWMAVZGI-UHFFFAOYSA-N 0 0 333.315 2.638 50 0 EFAARN Cc1ccccc1C(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000004185647 471461750 /nfs/dbraw/zinc/46/17/50/471461750.db2.gz QLQFXTRIAHQDJP-CQSZACIVSA-N 0 0 349.477 2.886 50 0 EFAARN C[C@H]1CN(c2ncnc3c2cnn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000004354572 471464376 /nfs/dbraw/zinc/46/43/76/471464376.db2.gz JFMWSKAGSMRHTQ-RYUDHWBXSA-N 0 0 327.363 2.568 50 0 EFAARN CCCOc1ccccc1[C@H]1C(C(=O)OC)C(C)=Nc2ncnn21 ZINC000004424114 471465401 /nfs/dbraw/zinc/46/54/01/471465401.db2.gz MTXLPAAFBBENSZ-HNNXBMFYSA-N 0 0 328.372 2.529 50 0 EFAARN Cc1ccc(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)cc1 ZINC000004414401 471465860 /nfs/dbraw/zinc/46/58/60/471465860.db2.gz YNWPSZWNTOUDGW-UHFFFAOYSA-N 0 0 338.411 2.504 50 0 EFAARN N=C1S/C(=C/c2ccccc2)C(=O)N1c1nonc1-n1cccc1 ZINC000004689610 471471100 /nfs/dbraw/zinc/47/11/00/471471100.db2.gz LAWPAXRRDPHIGT-NPYZNLJBSA-N 0 0 337.364 2.916 50 0 EFAARN COc1ccccc1[C@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000004722651 471471730 /nfs/dbraw/zinc/47/17/30/471471730.db2.gz SPMDNQYVDNXNDI-OAHLLOKOSA-N 0 0 334.169 2.646 50 0 EFAARN CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(C(C)C)cc1 ZINC000004784591 471475697 /nfs/dbraw/zinc/47/56/97/471475697.db2.gz VLSQFNQRMYPPID-HNNXBMFYSA-N 0 0 327.388 2.649 50 0 EFAARN CCCC[C@@H](CC)CNC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000004776067 471475705 /nfs/dbraw/zinc/47/57/05/471475705.db2.gz BGYPPOBKBFFJEH-OAHLLOKOSA-N 0 0 325.474 2.934 50 0 EFAARN Cc1ccc(N2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)nc1 ZINC000004840565 471476094 /nfs/dbraw/zinc/47/60/94/471476094.db2.gz NWMSTRLVGDIQQR-OAHLLOKOSA-N 0 0 335.285 2.904 50 0 EFAARN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000004832507 471477019 /nfs/dbraw/zinc/47/70/19/471477019.db2.gz KHNPMHSKHAJMKS-INIZCTEOSA-N 0 0 325.412 2.506 50 0 EFAARN CCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004870150 471477380 /nfs/dbraw/zinc/47/73/80/471477380.db2.gz NWCSJSCQVUXHSL-HNNXBMFYSA-N 0 0 341.415 2.823 50 0 EFAARN COC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000004901657 471478759 /nfs/dbraw/zinc/47/87/59/471478759.db2.gz MUVDMTFEGBFWBM-UHFFFAOYSA-N 0 0 340.379 2.562 50 0 EFAARN COc1ccc(CN2CCN(c3ccccn3)CC2)c(OC)c1C ZINC000004990220 471481991 /nfs/dbraw/zinc/48/19/91/471481991.db2.gz YQJNGUIVACYDCQ-UHFFFAOYSA-N 0 0 327.428 2.729 50 0 EFAARN S=C(NCc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 ZINC000005060992 471485219 /nfs/dbraw/zinc/48/52/19/471485219.db2.gz GSOUUANVMSLDCW-UHFFFAOYSA-N 0 0 346.887 2.932 50 0 EFAARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1/C=C/c1ccccc1 ZINC000005055006 471485881 /nfs/dbraw/zinc/48/58/81/471485881.db2.gz XJBNAGZFOCCCHZ-JMRXXTBOSA-N 0 0 342.420 2.849 50 0 aggregator EFAARN O=C1CCc2cc(NS(=O)(=O)c3ccccc3)cc3c2N1CCC3 ZINC000005154088 471487763 /nfs/dbraw/zinc/48/77/63/471487763.db2.gz DYHUDHGNAOMYQK-UHFFFAOYSA-N 0 0 342.420 2.713 50 0 EFAARN Cc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153593 471487952 /nfs/dbraw/zinc/48/79/52/471487952.db2.gz WNEDRLVNNVJCSJ-UHFFFAOYSA-N 0 0 342.420 2.631 50 0 EFAARN CCCCC(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005164158 471489224 /nfs/dbraw/zinc/48/92/24/471489224.db2.gz ZBNSOFJNZLXMTD-OAHLLOKOSA-N 0 0 327.421 2.532 50 0 EFAARN COc1cccc(N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)c1 ZINC000005178245 471489522 /nfs/dbraw/zinc/48/95/22/471489522.db2.gz ANBHFIWTZCPXON-UHFFFAOYSA-N 0 0 336.395 2.534 50 0 EFAARN C[C@H]1CCc2c(sc3nnn(CC(=O)c4cccs4)c(=O)c32)C1 ZINC000005183212 471490892 /nfs/dbraw/zinc/49/08/92/471490892.db2.gz IIRFZRRYZSISNE-VIFPVBQESA-N 0 0 345.449 2.922 50 0 EFAARN COc1ccc(N2C[C@@H](NC(=O)N(C)C3CCCCC3)CC2=O)cc1 ZINC000005190378 471490931 /nfs/dbraw/zinc/49/09/31/471490931.db2.gz YNGJVPKXGWQSRW-AWEZNQCLSA-N 0 0 345.443 2.775 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccncc3)ccc12 ZINC000005206319 471491540 /nfs/dbraw/zinc/49/15/40/471491540.db2.gz UFXNANLDGOTZJG-CYBMUJFWSA-N 0 0 338.363 2.580 50 0 biogenic EFAARN Cc1cccc(-n2ncc3c4nc(-c5cccnc5)nn4cnc32)c1 ZINC000005204724 471491643 /nfs/dbraw/zinc/49/16/43/471491643.db2.gz HKFYRLUKWPJCSP-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN Cc1ccc(-n2ncc3c4nnc(-c5cccnc5)n4cnc32)cc1 ZINC000005206524 471491737 /nfs/dbraw/zinc/49/17/37/471491737.db2.gz IYJDFMAKYYZMSB-UHFFFAOYSA-N 0 0 327.351 2.834 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccccn3)ccc12 ZINC000005205852 471491780 /nfs/dbraw/zinc/49/17/80/471491780.db2.gz LECHJFSMLWDJNF-CYBMUJFWSA-N 0 0 338.363 2.580 50 0 biogenic EFAARN O=C(Nc1ccccc1F)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000005193853 471491968 /nfs/dbraw/zinc/49/19/68/471491968.db2.gz WANNADDMCZKXRH-LBPRGKRZSA-N 0 0 331.322 2.892 50 0 EFAARN Cn1cnnc1SCc1cc2c(cc1Br)OCO2 ZINC000005216552 471492838 /nfs/dbraw/zinc/49/28/38/471492838.db2.gz NOHQFZZKLGNGBO-UHFFFAOYSA-N 0 0 328.191 2.599 50 0 EFAARN CCOC(=O)N1CCC(NC(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000005246264 471493637 /nfs/dbraw/zinc/49/36/37/471493637.db2.gz JTYYTTLZCDJTHU-UHFFFAOYSA-N 0 0 345.399 2.527 50 0 EFAARN COc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1Br ZINC000005235027 471494154 /nfs/dbraw/zinc/49/41/54/471494154.db2.gz IYUAJFCTMCHWTN-JTQLQIEISA-N 0 0 348.262 2.878 50 0 EFAARN CCC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000005244835 471494198 /nfs/dbraw/zinc/49/41/98/471494198.db2.gz RMCRGGGKPSJRJC-UHFFFAOYSA-N 0 0 331.379 2.971 50 0 EFAARN Cc1cc(OCC(=O)NCc2ccccn2)c2c(C)cc(=O)oc2c1 ZINC000005246882 471495428 /nfs/dbraw/zinc/49/54/28/471495428.db2.gz YDFUSAOOKVCUSW-UHFFFAOYSA-N 0 0 338.363 2.500 50 0 EFAARN COc1ccc(Cl)c2sc(NC(=O)C3=COCCO3)nc21 ZINC000005256619 471496171 /nfs/dbraw/zinc/49/61/71/471496171.db2.gz ITBOYOVHXAVSOW-UHFFFAOYSA-N 0 0 326.761 2.785 50 0 EFAARN CCCC[C@H](CC)C[NH2+][C@H](CC(=O)Nc1ccc(O)cc1)C(=O)[O-] ZINC000005257856 471496634 /nfs/dbraw/zinc/49/66/34/471496634.db2.gz XTKBLPOWYUPSQX-XJKSGUPXSA-N 0 0 336.432 2.980 50 0 EFAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3cccnc3)ccc12 ZINC000005265492 471496841 /nfs/dbraw/zinc/49/68/41/471496841.db2.gz DIEMYKSTBNJJIO-ZDUSSCGKSA-N 0 0 338.363 2.580 50 0 biogenic EFAARN O=c1nc(N2CCOCC2)ccn1C(c1ccccc1)c1ccccc1 ZINC000005274858 471497059 /nfs/dbraw/zinc/49/70/59/471497059.db2.gz BQSCAURAQNZJNL-UHFFFAOYSA-N 0 0 347.418 2.718 50 0 EFAARN C[C@H]1CCN2c3ccccc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2C1 ZINC000005274402 471497112 /nfs/dbraw/zinc/49/71/12/471497112.db2.gz KRMAYBGNWGWWGJ-WFASDCNBSA-N 0 0 329.396 2.670 50 0 EFAARN Cn1ccnc1SCC(=O)Nc1cccc(Br)c1 ZINC000005359612 471500791 /nfs/dbraw/zinc/50/07/91/471500791.db2.gz NFMHZNRKGJEIKS-UHFFFAOYSA-N 0 0 326.219 2.913 50 0 EFAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cccc(F)c1 ZINC000005399457 471503030 /nfs/dbraw/zinc/50/30/30/471503030.db2.gz JXMXJQUJBFZEJN-UHFFFAOYSA-N 0 0 341.317 2.827 50 0 EFAARN O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)N1CCCC1 ZINC000005398999 471503646 /nfs/dbraw/zinc/50/36/46/471503646.db2.gz NKZVOHJEHALMKC-UHFFFAOYSA-N 0 0 333.391 2.686 50 0 EFAARN NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000005416836 471504428 /nfs/dbraw/zinc/50/44/28/471504428.db2.gz DIYSKIPEFFLLIW-UHFFFAOYSA-N 0 0 325.777 2.631 50 0 EFAARN O=C(NCc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438375 471505402 /nfs/dbraw/zinc/50/54/02/471505402.db2.gz ILIDZPRBLAQBDF-UHFFFAOYSA-N 0 0 344.436 2.547 50 0 EFAARN O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCCCCC1 ZINC000005439045 471505522 /nfs/dbraw/zinc/50/55/22/471505522.db2.gz DNZLXABHMRHSJF-UHFFFAOYSA-N 0 0 336.457 2.633 50 0 EFAARN O=C(CCc1c[nH]c2ccccc12)NCCc1nnc2ccccn21 ZINC000005451693 471507117 /nfs/dbraw/zinc/50/71/17/471507117.db2.gz ZMULWIIXLKONMW-UHFFFAOYSA-N 0 0 333.395 2.502 50 0 EFAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccco1 ZINC000005488492 471507785 /nfs/dbraw/zinc/50/77/85/471507785.db2.gz SZKDSAHJWZIMED-UHFFFAOYSA-N 0 0 344.680 2.925 50 0 EFAARN O=C(Nc1ccc(Cl)cn1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000005488577 471508104 /nfs/dbraw/zinc/50/81/04/471508104.db2.gz HEXYHTCBBMWSKH-UHFFFAOYSA-N 0 0 328.759 2.857 50 0 EFAARN CC(C)(C)[C@H](CCO)NC(=O)C(C)(C)C1=N[C@@H](C(C)(C)C)CO1 ZINC000005496417 471508817 /nfs/dbraw/zinc/50/88/17/471508817.db2.gz VGOHJZOCOGLPBZ-QWHCGFSZSA-N 0 0 326.481 2.769 50 0 EFAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000005553174 471509923 /nfs/dbraw/zinc/50/99/23/471509923.db2.gz VCOVCZLURGNSHP-UHFFFAOYSA-N 0 0 347.392 2.662 50 0 EFAARN O=C(CS(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000005555275 471510140 /nfs/dbraw/zinc/51/01/40/471510140.db2.gz VDKXFPDTIRNWJQ-UHFFFAOYSA-N 0 0 325.336 2.518 50 0 EFAARN Cc1ccc(-c2nc3s/c(=C/c4ccc(F)cc4)c(=O)n3n2)cc1 ZINC000005617960 471513636 /nfs/dbraw/zinc/51/36/36/471513636.db2.gz IMKFFIUXIBWKFE-XNTDXEJSSA-N 0 0 337.379 2.813 50 0 EFAARN S=C1N=NC(c2cc(C3CC3)n[nH]2)N1c1ccc2c(c1)OCCO2 ZINC000005706082 471517583 /nfs/dbraw/zinc/51/75/83/471517583.db2.gz SGLDDCHVPPRECQ-UHFFFAOYSA-N 0 0 341.396 2.595 50 0 EFAARN CN1C(=S)N=NC1C[S@](=O)Cc1c(Cl)cccc1Cl ZINC000005753495 471520373 /nfs/dbraw/zinc/52/03/73/471520373.db2.gz PWCTWNFFIAVRQG-IBGZPJMESA-N 0 0 336.269 2.860 50 0 EFAARN C[C@H](Oc1ccc2c(c1)OCO2)c1n[nH]c(=S)n1C[C@@H]1CCCO1 ZINC000006007607 471529146 /nfs/dbraw/zinc/52/91/46/471529146.db2.gz DEQBAKNAIBEMMM-JQWIXIFHSA-N 0 0 349.412 2.988 50 0 EFAARN CCc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1 ZINC000006183081 471533664 /nfs/dbraw/zinc/53/36/64/471533664.db2.gz WOHSSEIULPBQJO-UHFFFAOYSA-N 0 0 339.424 2.956 50 0 EFAARN COc1ccc2nc(NC(=O)CSc3ncccn3)sc2c1 ZINC000006174642 471533962 /nfs/dbraw/zinc/53/39/62/471533962.db2.gz OIVLHPUFWYEIQI-UHFFFAOYSA-N 0 0 332.410 2.826 50 0 EFAARN CN[C@@H](c1nnnn1-c1ccc(Br)cc1)c1ccccc1 ZINC000006169497 471534067 /nfs/dbraw/zinc/53/40/67/471534067.db2.gz VJFPNLCBWDPCAJ-CQSZACIVSA-N 0 0 344.216 2.734 50 0 EFAARN Cn1c(=O)cc(SCc2ccc(Cl)cc2Cl)n(C)c1=O ZINC000006219163 471535442 /nfs/dbraw/zinc/53/54/42/471535442.db2.gz BBMQSKUAGSSTKS-UHFFFAOYSA-N 0 0 331.224 2.683 50 0 EFAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1sccc1C ZINC000006238865 471537269 /nfs/dbraw/zinc/53/72/69/471537269.db2.gz TYEZAJPNBATEOC-LBPRGKRZSA-N 0 0 336.438 2.880 50 0 EFAARN CCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000006264343 471538382 /nfs/dbraw/zinc/53/83/82/471538382.db2.gz LCCKZFYNYVARSK-UHFFFAOYSA-N 0 0 329.400 2.696 50 0 biogenic EFAARN CCOC(=O)Cn1c2c(cccc2F)s/c1=N\C(=O)c1ccco1 ZINC000006326614 471541078 /nfs/dbraw/zinc/54/10/78/471541078.db2.gz YUEVZPZYYMFRRI-VLGSPTGOSA-N 0 0 348.355 2.739 50 0 EFAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 ZINC000006347502 471542192 /nfs/dbraw/zinc/54/21/92/471542192.db2.gz PILIQJZNXVWRFC-UHFFFAOYSA-N 0 0 330.315 2.580 50 0 EFAARN COc1cccc([C@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C)c1 ZINC000006395321 471543462 /nfs/dbraw/zinc/54/34/62/471543462.db2.gz NYTJIUUTGBXKHI-OAHLLOKOSA-N 0 0 334.441 2.687 50 0 EFAARN Cc1cc(C)nc(SCC(=O)Nc2cccc3nsnc32)n1 ZINC000006425514 471544194 /nfs/dbraw/zinc/54/41/94/471544194.db2.gz RKKGZIWPZVOEPL-UHFFFAOYSA-N 0 0 331.426 2.829 50 0 EFAARN CCCn1c(=O)c(C(=O)Nc2cccc(C)n2)c(O)c2c1CCCC2 ZINC000006493380 471546727 /nfs/dbraw/zinc/54/67/27/471546727.db2.gz DFPPDLORTVRLAK-UHFFFAOYSA-N 0 0 341.411 2.798 50 0 EFAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)C1 ZINC000006516648 471548496 /nfs/dbraw/zinc/54/84/96/471548496.db2.gz WNCZPIMABVNLJT-VXGBXAGGSA-N 0 0 331.441 2.520 50 0 EFAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 ZINC000006606655 471553298 /nfs/dbraw/zinc/55/32/98/471553298.db2.gz UQESWNOSVOSCJX-UHFFFAOYSA-N 0 0 341.392 2.663 50 0 EFAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC3CCCCC3)cc2O1 ZINC000006624409 471554495 /nfs/dbraw/zinc/55/44/95/471554495.db2.gz KWRCHCKKBZTRBY-UHFFFAOYSA-N 0 0 347.411 2.964 50 0 biogenic EFAARN Cc1nn2c3ccccc3n(CCOc3ccc(F)cc3)c2nc1=O ZINC000006659448 471556728 /nfs/dbraw/zinc/55/67/28/471556728.db2.gz HGRDICKQUSKSHK-UHFFFAOYSA-N 0 0 338.342 2.571 50 0 EFAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000006660896 471556804 /nfs/dbraw/zinc/55/68/04/471556804.db2.gz NPFZOMLNSNKQEW-QGZVFWFLSA-N 0 0 344.342 2.975 50 0 EFAARN Cn1c2ccc(NC(=O)CCc3ccccc3F)cc2n(C)c1=O ZINC000006668265 471558116 /nfs/dbraw/zinc/55/81/16/471558116.db2.gz SQGJRUVSRYAXMA-UHFFFAOYSA-N 0 0 327.359 2.587 50 0 EFAARN O=C(Nc1cccnc1)c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000006672572 471558193 /nfs/dbraw/zinc/55/81/93/471558193.db2.gz MACHPKIFNFWCCH-UHFFFAOYSA-N 0 0 326.743 2.533 50 0 EFAARN Cc1ccn(S(=O)(=O)c2cc(C)c(C)cc2Br)n1 ZINC000006697918 471559637 /nfs/dbraw/zinc/55/96/37/471559637.db2.gz IOCWVXBXOIHQKL-UHFFFAOYSA-N 0 0 329.219 2.808 50 0 EFAARN COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000006681788 471560121 /nfs/dbraw/zinc/56/01/21/471560121.db2.gz WSCTYCHVFNTODS-UHFFFAOYSA-N 0 0 334.759 2.708 50 0 EFAARN Cn1ncc(Cl)c1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000006699249 471560719 /nfs/dbraw/zinc/56/07/19/471560719.db2.gz HYUUUBVRQTUEDO-UHFFFAOYSA-N 0 0 339.226 2.689 50 0 EFAARN CCn1ccc(C(=O)Nc2ccc(I)cc2)n1 ZINC000006700414 471560753 /nfs/dbraw/zinc/56/07/53/471560753.db2.gz FMRSKBPSKMZRPZ-UHFFFAOYSA-N 0 0 341.152 2.760 50 0 EFAARN O=C(CN1CCC2(CC1)OCCO2)Nc1ccc(Cl)c(Cl)c1 ZINC000006699234 471561032 /nfs/dbraw/zinc/56/10/32/471561032.db2.gz YHLXHWJTKKXUFX-UHFFFAOYSA-N 0 0 345.226 2.771 50 0 EFAARN Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1O ZINC000006701704 471561044 /nfs/dbraw/zinc/56/10/44/471561044.db2.gz KIWWWXCVBLRQNW-UHFFFAOYSA-N 0 0 340.408 2.919 50 0 EFAARN CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000006699134 471561214 /nfs/dbraw/zinc/56/12/14/471561214.db2.gz HNTZTUQQUJDFMY-GFCCVEGCSA-N 0 0 334.445 2.632 50 0 EFAARN CN(C)C(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000006701374 471561293 /nfs/dbraw/zinc/56/12/93/471561293.db2.gz NBCLDHHHNCSWNM-UHFFFAOYSA-N 0 0 337.173 2.996 50 0 EFAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000006704124 471561530 /nfs/dbraw/zinc/56/15/30/471561530.db2.gz RBMMHNKNINQKBN-INIZCTEOSA-N 0 0 338.407 2.777 50 0 EFAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC000006706521 471561579 /nfs/dbraw/zinc/56/15/79/471561579.db2.gz QMZMICNXJYSILN-UHFFFAOYSA-N 0 0 335.381 2.673 50 0 EFAARN O=c1[nH]c(CSc2nnc(-c3ccncc3)o2)nc2ccccc21 ZINC000006703457 471562234 /nfs/dbraw/zinc/56/22/34/471562234.db2.gz QLTZNELFUFXZHY-UHFFFAOYSA-N 0 0 337.364 2.660 50 0 EFAARN CCc1cc(C(=O)OC)c(NC(=S)NC[C@H]2CCCO2)s1 ZINC000006708497 471562250 /nfs/dbraw/zinc/56/22/50/471562250.db2.gz LDJBSBAIHSPNBZ-SECBINFHSA-N 0 0 328.459 2.563 50 0 EFAARN CC(C)NC(=O)N(C(=O)COc1ccc2ccc(=O)oc2c1)C(C)C ZINC000006719987 471562255 /nfs/dbraw/zinc/56/22/55/471562255.db2.gz SJJVRORHLBZNLH-UHFFFAOYSA-N 0 0 346.383 2.527 50 0 biogenic EFAARN CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000006703613 471562406 /nfs/dbraw/zinc/56/24/06/471562406.db2.gz JYVDZHPZGIBZAB-MRXNPFEDSA-N 0 0 332.425 2.628 50 0 EFAARN Cc1occc1-c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000006730722 471563089 /nfs/dbraw/zinc/56/30/89/471563089.db2.gz WGERXNKVLRYGCU-UHFFFAOYSA-N 0 0 334.445 2.925 50 0 EFAARN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(OC)c2)cc1 ZINC000006729819 471563660 /nfs/dbraw/zinc/56/36/60/471563660.db2.gz RLKPIMUAVPFBGW-UHFFFAOYSA-N 0 0 348.424 2.733 50 0 EFAARN COc1ccc(C2=NO[C@@H](C(=O)N3CCCC[C@@H]3C)C2)cc1OC ZINC000006738547 471564032 /nfs/dbraw/zinc/56/40/32/471564032.db2.gz HZMUIEZTYIMFKG-YVEFUNNKSA-N 0 0 332.400 2.598 50 0 EFAARN Cc1noc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1Cl ZINC000006738153 471564321 /nfs/dbraw/zinc/56/43/21/471564321.db2.gz ZPRKBOPPYFIGEQ-UHFFFAOYSA-N 0 0 339.804 2.928 50 0 EFAARN CCN(CC)C(=O)CSc1nc2cc(Br)cnc2[nH]1 ZINC000006733547 471564426 /nfs/dbraw/zinc/56/44/26/471564426.db2.gz NCUOFRRVDXNREC-UHFFFAOYSA-N 0 0 343.250 2.681 50 0 EFAARN CCCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1 ZINC000006731311 471564505 /nfs/dbraw/zinc/56/45/05/471564505.db2.gz AKKCIYDFOQQUCD-UHFFFAOYSA-N 0 0 347.469 2.927 50 0 EFAARN O=C(CN1CCC2(CC1)OCCO2)Nc1cccc2ccccc21 ZINC000006741603 471564735 /nfs/dbraw/zinc/56/47/35/471564735.db2.gz WGQSLXGFAPXGKC-UHFFFAOYSA-N 0 0 326.396 2.617 50 0 EFAARN CCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)cn1 ZINC000006741137 471564751 /nfs/dbraw/zinc/56/47/51/471564751.db2.gz YQIOMRQOXLBXHZ-UHFFFAOYSA-N 0 0 348.197 2.605 50 0 EFAARN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000006744916 471565175 /nfs/dbraw/zinc/56/51/75/471565175.db2.gz GEWMVGSCJQZJRC-UHFFFAOYSA-N 0 0 338.473 2.558 50 0 EFAARN COC(=O)c1ccc(CNC(=O)c2nc(-c3cccs3)no2)cc1 ZINC000006745770 471565363 /nfs/dbraw/zinc/56/53/63/471565363.db2.gz LLGPDRHCNSXIDS-UHFFFAOYSA-N 0 0 343.364 2.515 50 0 EFAARN CN1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 ZINC000006743713 471565840 /nfs/dbraw/zinc/56/58/40/471565840.db2.gz QQBMFCJEOSTXCC-UHFFFAOYSA-N 0 0 340.423 2.532 50 0 EFAARN O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCc2ccccc2C1 ZINC000006759577 471567225 /nfs/dbraw/zinc/56/72/25/471567225.db2.gz JGTACXXHTVEJLZ-UHFFFAOYSA-N 0 0 342.782 2.833 50 0 EFAARN CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1CCCOC ZINC000006757282 471567388 /nfs/dbraw/zinc/56/73/88/471567388.db2.gz GRUMYVLOOBLGMH-UHFFFAOYSA-N 0 0 346.818 2.835 50 0 EFAARN Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2n1 ZINC000006796585 471570417 /nfs/dbraw/zinc/57/04/17/471570417.db2.gz FMLYPVRLJCTURW-UHFFFAOYSA-N 0 0 332.407 2.901 50 0 EFAARN O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006803087 471570767 /nfs/dbraw/zinc/57/07/67/471570767.db2.gz ARHNHOPZFZUTHB-UHFFFAOYSA-N 0 0 343.390 2.988 50 0 EFAARN CCCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C ZINC000006819431 471572145 /nfs/dbraw/zinc/57/21/45/471572145.db2.gz YRFJWQWPSYDRFU-INIZCTEOSA-N 0 0 331.412 2.842 50 0 EFAARN Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccc(F)cc1 ZINC000006868276 471575334 /nfs/dbraw/zinc/57/53/34/471575334.db2.gz AAXMYFJVGFZPMX-UHFFFAOYSA-N 0 0 328.332 2.767 50 0 EFAARN Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1ccccc1F ZINC000006868272 471575687 /nfs/dbraw/zinc/57/56/87/471575687.db2.gz ZEALBKNDSHRWNL-UHFFFAOYSA-N 0 0 328.332 2.767 50 0 EFAARN COc1ccccc1CC(=O)OCC(=O)Nc1cc(F)ccc1F ZINC000007034867 471585445 /nfs/dbraw/zinc/58/54/45/471585445.db2.gz 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/nfs/dbraw/zinc/61/88/91/471618891.db2.gz SQKZCDGKIIMZQL-UHFFFAOYSA-N 0 0 337.851 2.993 50 0 EFAARN CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC)cc1 ZINC000007509263 471619551 /nfs/dbraw/zinc/61/95/51/471619551.db2.gz OCTZLTURCWSKMC-UHFFFAOYSA-N 0 0 329.352 2.889 50 0 EFAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000007616248 471624093 /nfs/dbraw/zinc/62/40/93/471624093.db2.gz ATTZEZLWYOPGLN-AWEZNQCLSA-N 0 0 341.473 2.974 50 0 EFAARN O=C(Nc1ccc(Br)cc1)c1ccccc1-n1cnnn1 ZINC000007609503 471624388 /nfs/dbraw/zinc/62/43/88/471624388.db2.gz SYUGMKNFZXBUKE-UHFFFAOYSA-N 0 0 344.172 2.677 50 0 EFAARN O=C1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2N1 ZINC000007687620 471630609 /nfs/dbraw/zinc/63/06/09/471630609.db2.gz YWINMWZJLUIRAU-UHFFFAOYSA-N 0 0 334.441 2.740 50 0 EFAARN COc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000007708161 471632633 /nfs/dbraw/zinc/63/26/33/471632633.db2.gz FEELCSNAASKWJD-UHFFFAOYSA-N 0 0 346.408 2.623 50 0 EFAARN CS(=O)(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000007727676 471633716 /nfs/dbraw/zinc/63/37/16/471633716.db2.gz SWHKWNUBOBPUSL-ZHACJKMWSA-N 0 0 337.422 2.503 50 0 EFAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1 ZINC000007968746 471650540 /nfs/dbraw/zinc/65/05/40/471650540.db2.gz GOKIRCHIQBBSME-UHFFFAOYSA-N 0 0 347.374 2.798 50 0 biogenic EFAARN Cc1cccc(-n2nnnc2SCC(=O)NC2CCCCC2)c1C ZINC000008020532 471655871 /nfs/dbraw/zinc/65/58/71/471655871.db2.gz RXSSCIHSNFFKIJ-UHFFFAOYSA-N 0 0 345.472 2.820 50 0 EFAARN CCc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000008014380 471656593 /nfs/dbraw/zinc/65/65/93/471656593.db2.gz FLRSZHLAPOHSDS-LBPRGKRZSA-N 0 0 340.379 2.986 50 0 EFAARN C[C@H](Sc1nnnn1-c1ccccc1)C(=O)NC1CCCCC1 ZINC000008075970 471661068 /nfs/dbraw/zinc/66/10/68/471661068.db2.gz FZOOPINSKKNXPQ-LBPRGKRZSA-N 0 0 331.445 2.592 50 0 EFAARN COC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000008234845 471673590 /nfs/dbraw/zinc/67/35/90/471673590.db2.gz PPZORMIOOLIYLV-GHMZBOCLSA-N 0 0 344.333 2.527 50 0 EFAARN COc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000008246520 471674224 /nfs/dbraw/zinc/67/42/24/471674224.db2.gz VDPCPNVBSWYASJ-UHFFFAOYSA-N 0 0 328.368 2.779 50 0 EFAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3F)CC2=O)c1 ZINC000008247654 471675198 /nfs/dbraw/zinc/67/51/98/471675198.db2.gz HLRXKHJQOBMGQV-NSHDSACASA-N 0 0 346.333 2.965 50 0 EFAARN COc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1OC ZINC000008259611 471675464 /nfs/dbraw/zinc/67/54/64/471675464.db2.gz QAYICZQTOORDAD-UHFFFAOYSA-N 0 0 347.342 2.947 50 0 EFAARN CCCN(CCC)C(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 ZINC000008267409 471675911 /nfs/dbraw/zinc/67/59/11/471675911.db2.gz UHRKWEGVQPLZJK-CQSZACIVSA-N 0 0 348.443 2.705 50 0 EFAARN O=C(Cn1nnnc1-c1ccc(Br)cc1)c1ccccc1 ZINC000008297659 471678885 /nfs/dbraw/zinc/67/88/85/471678885.db2.gz XPJRGGXUABVCJG-UHFFFAOYSA-N 0 0 343.184 2.986 50 0 EFAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc(=O)[nH]c2ccccc21 ZINC000008393710 471685521 /nfs/dbraw/zinc/68/55/21/471685521.db2.gz VPCPWFHFLGBZEL-UHFFFAOYSA-N 0 0 336.347 2.942 50 0 EFAARN COC(=O)CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008377762 471686191 /nfs/dbraw/zinc/68/61/91/471686191.db2.gz BMXOXKQMPHSQSD-UHFFFAOYSA-N 0 0 332.400 2.641 50 0 EFAARN O=C(Cc1ccccc1)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000008470201 471689786 /nfs/dbraw/zinc/68/97/86/471689786.db2.gz FYCBNIJLRYQIBT-GOSISDBHSA-N 0 0 338.407 2.777 50 0 EFAARN CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)C(=O)OC ZINC000008481205 471690309 /nfs/dbraw/zinc/69/03/09/471690309.db2.gz WJRSRHGYIWMFOW-BONVTDFDSA-N 0 0 332.356 2.502 50 0 biogenic EFAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2ccccc2c1=O ZINC000008488847 471690855 /nfs/dbraw/zinc/69/08/55/471690855.db2.gz JGRNRZHELIAZRG-HNNXBMFYSA-N 0 0 335.407 2.534 50 0 EFAARN Fc1ccc(-n2ncc3c2ncnc3NCCCn2ccnc2)cc1 ZINC000008582974 471696246 /nfs/dbraw/zinc/69/62/46/471696246.db2.gz XFJZFWLWIYOYKQ-UHFFFAOYSA-N 0 0 337.362 2.653 50 0 EFAARN O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1Cc1ccccc1 ZINC000008619741 471696601 /nfs/dbraw/zinc/69/66/01/471696601.db2.gz 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/nfs/dbraw/zinc/70/42/47/471704247.db2.gz FWVYCOIGONZZQD-LBPRGKRZSA-N 0 0 349.843 2.613 50 0 EFAARN c1nc2c3cc(-c4ccccc4)sc3nc(N3CCOCC3)n2n1 ZINC000008990809 471708104 /nfs/dbraw/zinc/70/81/04/471708104.db2.gz ULGGVTPQZHHLRZ-UHFFFAOYSA-N 0 0 337.408 2.843 50 0 EFAARN CC(=O)/N=c1\sc(-c2ccccc2)c2c(=O)[nH]c3ccccc3n21 ZINC000009350725 471715702 /nfs/dbraw/zinc/71/57/02/471715702.db2.gz HPYGONPRHDBCSA-HNENSFHCSA-N 0 0 335.388 2.957 50 0 EFAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCCc2ccccc21 ZINC000009420723 471716147 /nfs/dbraw/zinc/71/61/47/471716147.db2.gz FAKQHHOYZMOPLU-QGZVFWFLSA-N 0 0 338.407 2.933 50 0 EFAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccs1 ZINC000009659381 471719307 /nfs/dbraw/zinc/71/93/07/471719307.db2.gz HCBMNUVVKZCPJK-UHFFFAOYSA-N 0 0 347.421 2.909 50 0 EFAARN CCCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O ZINC000009668931 471719848 /nfs/dbraw/zinc/71/98/48/471719848.db2.gz JFBGKTQPTWIETG-UHFFFAOYSA-N 0 0 344.434 2.887 50 0 EFAARN CC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000009708655 471720785 /nfs/dbraw/zinc/72/07/85/471720785.db2.gz SSXGOYLTJLFBLP-UHFFFAOYSA-N 0 0 330.409 2.787 50 0 EFAARN COCCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000010011940 471725687 /nfs/dbraw/zinc/72/56/87/471725687.db2.gz MBKPJDBONVSLRE-UHFFFAOYSA-N 0 0 340.423 2.674 50 0 EFAARN CC(C)c1cc(=O)[nH]c(SCC(=O)N2CCCc3ccccc32)n1 ZINC000010382496 471734932 /nfs/dbraw/zinc/73/49/32/471734932.db2.gz AGNYNXHGXFBPTK-UHFFFAOYSA-N 0 0 343.452 2.965 50 0 EFAARN CCN(Cc1nccn1C)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000011664148 471756921 /nfs/dbraw/zinc/75/69/21/471756921.db2.gz UMSFIWSPJIQDGE-UHFFFAOYSA-N 0 0 341.459 2.714 50 0 EFAARN CSCCNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000011718649 471758088 /nfs/dbraw/zinc/75/80/88/471758088.db2.gz SIVYPTWIVGZTRV-UHFFFAOYSA-N 0 0 334.397 2.549 50 0 EFAARN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc2nc(C3CC3)oc2c1 ZINC000011873199 471759548 /nfs/dbraw/zinc/75/95/48/471759548.db2.gz DLUABBRQDFJECI-AWEZNQCLSA-N 0 0 328.368 2.873 50 0 EFAARN COC(=O)CNC(=O)C[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000011816578 471759897 /nfs/dbraw/zinc/75/98/97/471759897.db2.gz PDAOROKAXUSNDP-QGZVFWFLSA-N 0 0 327.380 2.506 50 0 EFAARN Cc1cc(C)c(C(=O)N2CC(=O)N(c3ccccc3C)[C@@H](C)C2)[nH]1 ZINC000011869465 471760256 /nfs/dbraw/zinc/76/02/56/471760256.db2.gz WYTZFJCSGJMCHX-HNNXBMFYSA-N 0 0 325.412 2.817 50 0 EFAARN CCCCOc1cccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000011907354 471761150 /nfs/dbraw/zinc/76/11/50/471761150.db2.gz XTTGOGILDAVHSI-UONOGXRCSA-N 0 0 340.470 2.519 50 0 EFAARN COc1cccc2c(C)cc(SCC(=O)N3CCOCC3)nc12 ZINC000011907544 471761645 /nfs/dbraw/zinc/76/16/45/471761645.db2.gz SIUVTFLAGIZBQB-UHFFFAOYSA-N 0 0 332.425 2.503 50 0 EFAARN CCS(=O)(=O)c1ccc(O)c(Nc2nc(C)nc3c2CCC3)c1 ZINC000011907816 471761903 /nfs/dbraw/zinc/76/19/03/471761903.db2.gz SREZKKAHKKIAPP-UHFFFAOYSA-N 0 0 333.413 2.517 50 0 EFAARN CCOC(=O)CCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000012138866 471766444 /nfs/dbraw/zinc/76/64/44/471766444.db2.gz QYPYCGAZWQTQHS-UHFFFAOYSA-N 0 0 346.427 2.985 50 0 EFAARN CNC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012206054 471769736 /nfs/dbraw/zinc/76/97/36/471769736.db2.gz SBQZIAOSSSBTJO-OAHLLOKOSA-N 0 0 336.439 2.595 50 0 EFAARN Cc1cnc2c(c1Nc1ccc(C(C)C)cc1)c(=O)n(C)c(=O)n2C ZINC000012226783 471769765 /nfs/dbraw/zinc/76/97/65/471769765.db2.gz DYEVHVVVQZMSHL-UHFFFAOYSA-N 0 0 338.411 2.808 50 0 EFAARN O=C1C2=C(CN1CCCc1ccccc1)NC(=O)N[C@H]2c1ccccc1 ZINC000012345476 471773370 /nfs/dbraw/zinc/77/33/70/471773370.db2.gz JYDKCVWIMWADGN-IBGZPJMESA-N 0 0 347.418 2.770 50 0 EFAARN CC(C)[C@@H](O)C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1 ZINC000012429971 471775182 /nfs/dbraw/zinc/77/51/82/471775182.db2.gz MWPPDCKDBFIKOZ-QGZVFWFLSA-N 0 0 330.407 2.911 50 0 EFAARN Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000012441620 471776632 /nfs/dbraw/zinc/77/66/32/471776632.db2.gz BTJLVRZTTDNOMU-MRXNPFEDSA-N 0 0 335.400 2.896 50 0 EFAARN CC(=O)NC[C@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012593770 471783583 /nfs/dbraw/zinc/78/35/83/471783583.db2.gz QHYBILCXFXWRHG-CYBMUJFWSA-N 0 0 348.834 2.738 50 0 EFAARN COC(=O)CNC(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 ZINC000012584814 471783964 /nfs/dbraw/zinc/78/39/64/471783964.db2.gz SLJZPRJCIDMVIH-INIZCTEOSA-N 0 0 347.798 2.857 50 0 EFAARN COC(=O)C1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000012612599 471786669 /nfs/dbraw/zinc/78/66/69/471786669.db2.gz DBCSPQIPVVCYMY-UHFFFAOYSA-N 0 0 349.818 2.699 50 0 EFAARN COC[C@@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 ZINC000012701943 471790663 /nfs/dbraw/zinc/79/06/63/471790663.db2.gz HOMMJOXGFAZTOC-GFCCVEGCSA-N 0 0 334.347 2.501 50 0 EFAARN CC[C@H](COC)NC(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012701394 471790698 /nfs/dbraw/zinc/79/06/98/471790698.db2.gz PZCDYGVKXWGORB-MRXNPFEDSA-N 0 0 338.411 2.634 50 0 EFAARN NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000012731750 471791908 /nfs/dbraw/zinc/79/19/08/471791908.db2.gz QGHLVYKZHXHMCA-CLFYSBASSA-N 0 0 347.374 2.809 50 0 EFAARN COC(=O)[C@@H](CCSC)Nc1nncc(-c2ccccc2C)n1 ZINC000012744255 471792497 /nfs/dbraw/zinc/79/24/97/471792497.db2.gz KZTWIMSHHGBBIM-CYBMUJFWSA-N 0 0 332.429 2.554 50 0 EFAARN Cc1ncoc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000012745540 471792753 /nfs/dbraw/zinc/79/27/53/471792753.db2.gz CRFHMYRXTPZNBX-UHFFFAOYSA-N 0 0 336.395 2.944 50 0 EFAARN COC(=O)[C@H](CCSC)Nc1nncc(-c2ccccc2C)n1 ZINC000012744259 471793511 /nfs/dbraw/zinc/79/35/11/471793511.db2.gz KZTWIMSHHGBBIM-ZDUSSCGKSA-N 0 0 332.429 2.554 50 0 EFAARN Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 ZINC000012748973 471793532 /nfs/dbraw/zinc/79/35/32/471793532.db2.gz AFOFJIPHMIMOHN-QGZVFWFLSA-N 0 0 344.455 2.989 50 0 EFAARN CCOC(=O)[C@@H]1CCCN(c2nncc(-c3ccc(Cl)cc3)n2)C1 ZINC000012761020 471794473 /nfs/dbraw/zinc/79/44/73/471794473.db2.gz CMAPYYBMKYKFFL-CYBMUJFWSA-N 0 0 346.818 2.972 50 0 EFAARN COc1cccc(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)c1 ZINC000012864439 471801680 /nfs/dbraw/zinc/80/16/80/471801680.db2.gz NCYFDBMSAADWGJ-HNNXBMFYSA-N 0 0 336.391 2.637 50 0 EFAARN CC(=O)N(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc(Cl)c1 ZINC000013116513 471816136 /nfs/dbraw/zinc/81/61/36/471816136.db2.gz HDGPQAWKKAYKIX-HUUCEWRRSA-N 0 0 332.787 2.602 50 0 EFAARN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1nc[nH]n1 ZINC000013111657 471816950 /nfs/dbraw/zinc/81/69/50/471816950.db2.gz HJHAAJHYCCWUOM-UHFFFAOYSA-N 0 0 341.758 2.963 50 0 EFAARN Cc1ccc(NC(=O)c2cc(=O)n(Cc3ccccc3)c(=O)[nH]2)cc1C ZINC000013142735 471818044 /nfs/dbraw/zinc/81/80/44/471818044.db2.gz BXGVXWAZZNRJKK-UHFFFAOYSA-N 0 0 349.390 2.866 50 0 EFAARN CCCn1c2c(s/c1=N\C(=O)C1=COCCO1)c(C)ccc2OC ZINC000013283967 471824597 /nfs/dbraw/zinc/82/45/97/471824597.db2.gz KAGKWPYAOHJFDI-ZCXUNETKSA-N 0 0 348.424 2.745 50 0 EFAARN O=C(NC1CC1)c1c2c(sc1NC(=O)c1cccnc1)CCC2 ZINC000013329121 471826072 /nfs/dbraw/zinc/82/60/72/471826072.db2.gz CPTNBWGVPFSOLA-UHFFFAOYSA-N 0 0 327.409 2.776 50 0 EFAARN Cc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1F ZINC000013324734 471826126 /nfs/dbraw/zinc/82/61/26/471826126.db2.gz UKLCHDPMWNTGBO-UHFFFAOYSA-N 0 0 328.391 2.879 50 0 EFAARN O=C(CN1CCN(c2ccccc2F)CC1)NCCC1=CCCCC1 ZINC000013323524 471826359 /nfs/dbraw/zinc/82/63/59/471826359.db2.gz YSDMLAMKDSFCFL-UHFFFAOYSA-N 0 0 345.462 2.954 50 0 EFAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ncccn2)CC1 ZINC000013328614 471826706 /nfs/dbraw/zinc/82/67/06/471826706.db2.gz DFISGEXWTPCHTC-UHFFFAOYSA-N 0 0 337.210 2.746 50 0 EFAARN Cc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1F ZINC000013325069 471826749 /nfs/dbraw/zinc/82/67/49/471826749.db2.gz YLEDDJIZXQAUMZ-UHFFFAOYSA-N 0 0 328.391 2.879 50 0 EFAARN O=C(c1cc(-c2cccnc2)on1)N1CCN(c2ccccc2)CC1 ZINC000013363632 471827831 /nfs/dbraw/zinc/82/78/31/471827831.db2.gz ASDUVPHCMPXLET-UHFFFAOYSA-N 0 0 334.379 2.699 50 0 EFAARN CCOC(=O)Cc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000013571371 471833423 /nfs/dbraw/zinc/83/34/23/471833423.db2.gz QHOFTAZVHRFADI-UHFFFAOYSA-N 0 0 340.792 2.941 50 0 EFAARN Cc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000013583105 471833475 /nfs/dbraw/zinc/83/34/75/471833475.db2.gz CDMCJAPDLQMOQK-UHFFFAOYSA-N 0 0 338.473 2.555 50 0 EFAARN O=C(CCSc1nc(Cl)nc2[nH]cnc21)NCc1ccccc1 ZINC000013569185 471833884 /nfs/dbraw/zinc/83/38/84/471833884.db2.gz AWVPLFNICDMXGT-UHFFFAOYSA-N 0 0 347.831 2.805 50 0 EFAARN Cc1cc(-c2nnc(NC(=O)Cc3ccc(C)c(C)c3)o2)n(C)n1 ZINC000013615003 471834254 /nfs/dbraw/zinc/83/42/54/471834254.db2.gz MMDUHSZTVVDQOK-UHFFFAOYSA-N 0 0 325.372 2.577 50 0 EFAARN c1ccc(CNc2nc(N3CCOCC3)nc3c2SCCC3)cc1 ZINC000013623948 471834767 /nfs/dbraw/zinc/83/47/67/471834767.db2.gz CTPFSPUUBDLVOS-UHFFFAOYSA-N 0 0 342.468 2.964 50 0 EFAARN CCOC(=O)c1cc2c([nH]c1=O)C[C@H](c1cccc(C)c1)CC2=O ZINC000013637190 471836658 /nfs/dbraw/zinc/83/66/58/471836658.db2.gz KIOIHDGMELRSAK-ZDUSSCGKSA-N 0 0 325.364 2.773 50 0 EFAARN COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)c(C)c1 ZINC000013678995 471836971 /nfs/dbraw/zinc/83/69/71/471836971.db2.gz NYYBDNYKROAVLS-UHFFFAOYSA-N 0 0 340.423 2.861 50 0 EFAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ncc(C)s1 ZINC000013682137 471837011 /nfs/dbraw/zinc/83/70/11/471837011.db2.gz QWSAPPOMNHKBLW-LLVKDONJSA-N 0 0 348.380 2.709 50 0 EFAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000013669290 471837212 /nfs/dbraw/zinc/83/72/12/471837212.db2.gz QZCZZWINCRIJML-GFCCVEGCSA-N 0 0 330.409 2.650 50 0 EFAARN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013674674 471837785 /nfs/dbraw/zinc/83/77/85/471837785.db2.gz YXXYRTKASOLKRX-CQSZACIVSA-N 0 0 335.425 2.749 50 0 EFAARN COc1ccc(OCC(=O)NCc2nc(-c3cccs3)no2)cc1 ZINC000013691336 471838356 /nfs/dbraw/zinc/83/83/56/471838356.db2.gz RAUGDLCLDQKKHS-UHFFFAOYSA-N 0 0 345.380 2.502 50 0 EFAARN CC(C)C(=O)Nc1ccc(SCC(=O)Nc2ccccc2F)nn1 ZINC000013702096 471839831 /nfs/dbraw/zinc/83/98/31/471839831.db2.gz OVSXZFIQVRBNKM-UHFFFAOYSA-N 0 0 348.403 2.941 50 0 EFAARN CSCC[C@@H](CO)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000013722732 471841040 /nfs/dbraw/zinc/84/10/40/471841040.db2.gz LSUFNUCYKPAFNS-ZDUSSCGKSA-N 0 0 336.482 2.583 50 0 EFAARN S=C(Nc1ccccc1)N1CCCC[C@H]1CCN1CCOCC1 ZINC000013722899 471841365 /nfs/dbraw/zinc/84/13/65/471841365.db2.gz SRVMIXZPQXSQAT-KRWDZBQOSA-N 0 0 333.501 2.960 50 0 EFAARN Cn1c(CCNC(=O)c2ccc(F)c(Cl)c2)nc2cc(N)ccc21 ZINC000013723218 471841385 /nfs/dbraw/zinc/84/13/85/471841385.db2.gz YTIYDGVNYICAMM-UHFFFAOYSA-N 0 0 346.793 2.921 50 0 EFAARN Cn1nccc1CNC(=S)Nc1ccc(Br)cc1 ZINC000013767309 471842430 /nfs/dbraw/zinc/84/24/30/471842430.db2.gz PLLSYEFDPZOOSU-UHFFFAOYSA-N 0 0 325.235 2.669 50 0 EFAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000013745790 471842571 /nfs/dbraw/zinc/84/25/71/471842571.db2.gz FPTSTPNGCLTGFL-BBRMVZONSA-N 0 0 336.457 2.702 50 0 EFAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000013745794 471843334 /nfs/dbraw/zinc/84/33/34/471843334.db2.gz FPTSTPNGCLTGFL-CJNGLKHVSA-N 0 0 336.457 2.702 50 0 EFAARN CC(=O)c1ccc(N2CCN(C(=S)NC3CCCC3)CC2)cc1 ZINC000013786084 471844078 /nfs/dbraw/zinc/84/40/78/471844078.db2.gz PAISTJQMTDXUQD-UHFFFAOYSA-N 0 0 331.485 2.828 50 0 EFAARN COc1ccc(NC(=O)COCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013844735 471844344 /nfs/dbraw/zinc/84/43/44/471844344.db2.gz ARAFZFIDHVTXQF-UHFFFAOYSA-N 0 0 348.786 2.942 50 0 EFAARN CC(C)NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000013944717 471845339 /nfs/dbraw/zinc/84/53/39/471845339.db2.gz NFNGPACODJLJMX-CYBMUJFWSA-N 0 0 347.846 2.737 50 0 EFAARN CCOC(=O)c1sc(NC(=O)c2ccc(NC(C)=O)cc2)nc1C ZINC000013944053 471845353 /nfs/dbraw/zinc/84/53/53/471845353.db2.gz GYNOEZOWZWRSPE-UHFFFAOYSA-N 0 0 347.396 2.839 50 0 EFAARN CCc1c(C)sc2[nH]c(=S)n(NC(=O)c3cccnc3)c(=O)c12 ZINC000013950210 471845877 /nfs/dbraw/zinc/84/58/77/471845877.db2.gz CNWJLVCISYRIQM-UHFFFAOYSA-N 0 0 346.437 2.770 50 0 EFAARN O=C(Cc1ccc2ccccc2c1)Nc1cccc2c1C(=O)NC2=O ZINC000013973188 471846320 /nfs/dbraw/zinc/84/63/20/471846320.db2.gz YQUPHLYBXUXCMP-UHFFFAOYSA-N 0 0 330.343 2.905 50 0 EFAARN CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 ZINC000014092931 471851346 /nfs/dbraw/zinc/85/13/46/471851346.db2.gz FHIVXSWLABGDKB-LBPRGKRZSA-N 0 0 344.440 2.709 50 0 EFAARN O=C1CN(S(=O)(=O)c2cccc3ccccc32)c2ccccc2N1 ZINC000014113758 471853328 /nfs/dbraw/zinc/85/33/28/471853328.db2.gz USEKOBPHBCHCCD-UHFFFAOYSA-N 0 0 338.388 2.987 50 0 EFAARN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc3nonc32)c(C)c1 ZINC000014219409 471863235 /nfs/dbraw/zinc/86/32/35/471863235.db2.gz SLSODJMBLOMWDE-GFCCVEGCSA-N 0 0 331.397 2.879 50 0 EFAARN CCn1ncc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000014226748 471863290 /nfs/dbraw/zinc/86/32/90/471863290.db2.gz UBRJFAQMLDPXGO-UHFFFAOYSA-N 0 0 327.837 2.686 50 0 EFAARN Cc1c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cnn1C ZINC000014250013 471866048 /nfs/dbraw/zinc/86/60/48/471866048.db2.gz FYRUJNWLLLRYSV-UHFFFAOYSA-N 0 0 329.425 2.702 50 0 EFAARN O=C(NCCSCc1ccco1)c1ccc(N2CCOCC2)cc1 ZINC000014396562 471871695 /nfs/dbraw/zinc/87/16/95/471871695.db2.gz YPUJOKQQVHRTLW-UHFFFAOYSA-N 0 0 346.452 2.779 50 0 EFAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C ZINC000014401441 471871995 /nfs/dbraw/zinc/87/19/95/471871995.db2.gz NNCVRFIYUUXZLR-UHFFFAOYSA-N 0 0 339.395 2.511 50 0 EFAARN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014398368 471872200 /nfs/dbraw/zinc/87/22/00/471872200.db2.gz DPYUZIBRUWFDDD-MRXNPFEDSA-N 0 0 328.368 2.590 50 0 EFAARN CSc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 ZINC000014428298 471873091 /nfs/dbraw/zinc/87/30/91/471873091.db2.gz PRLOSYFRMWTEMU-UHFFFAOYSA-N 0 0 325.393 2.757 50 0 EFAARN COc1c(O)c2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC ZINC000014645348 471876267 /nfs/dbraw/zinc/87/62/67/471876267.db2.gz IODGQWWTJYDCLN-UHFFFAOYSA-N 0 0 330.292 2.594 50 0 biogenic EFAARN CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 ZINC000014898227 471882031 /nfs/dbraw/zinc/88/20/31/471882031.db2.gz DSJOVTSTPGCLTK-UHFFFAOYSA-N 0 0 337.383 2.796 50 0 EFAARN CN(Cc1nc(-c2cccs2)no1)Cc1ccc2nonc2c1 ZINC000014964060 471882828 /nfs/dbraw/zinc/88/28/28/471882828.db2.gz QMXOYRVVFVPTMM-UHFFFAOYSA-N 0 0 327.369 2.966 50 0 EFAARN CCCn1c(C)c(CC(=O)NC(C)(C)CO)c2c1CC(C)(C)CC2=O ZINC000014956703 471882854 /nfs/dbraw/zinc/88/28/54/471882854.db2.gz IPMOUPXUQCXXDB-UHFFFAOYSA-N 0 0 348.487 2.791 50 0 EFAARN CC(C)OCCCNC(=O)c1cn(Cc2cccc(Cl)c2)nn1 ZINC000014970493 471884207 /nfs/dbraw/zinc/88/42/07/471884207.db2.gz AFNPDGKGZAGPIU-UHFFFAOYSA-N 0 0 336.823 2.525 50 0 EFAARN O=C(c1cscn1)N1CCC[C@](CO)(CCOc2ccccc2)C1 ZINC000014979159 471884417 /nfs/dbraw/zinc/88/44/17/471884417.db2.gz DITQHBIKKYHDAW-SFHVURJKSA-N 0 0 346.452 2.827 50 0 EFAARN CC(C)(C)CC(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000014987328 471884570 /nfs/dbraw/zinc/88/45/70/471884570.db2.gz OQWXVCCHLHPPBY-CQSZACIVSA-N 0 0 325.412 3.000 50 0 EFAARN O=C(NCC[C@H]1CCCCO1)c1cn(CCCc2ccccc2)nn1 ZINC000015071895 471887533 /nfs/dbraw/zinc/88/75/33/471887533.db2.gz RELAYGVOPCDTKA-QGZVFWFLSA-N 0 0 342.443 2.600 50 0 EFAARN COCCNC(=O)Cc1c(C)n(CC(C)C)c2c1C(=O)CC(C)(C)C2 ZINC000015068245 471887945 /nfs/dbraw/zinc/88/79/45/471887945.db2.gz CEAAFNZEHTXRJH-UHFFFAOYSA-N 0 0 348.487 2.913 50 0 EFAARN CN(c1ncccc1CNC(=O)c1csnn1)C1CCCCC1 ZINC000015078007 471888923 /nfs/dbraw/zinc/88/89/23/471888923.db2.gz ATLDPSSRFADFJL-UHFFFAOYSA-N 0 0 331.445 2.632 50 0 EFAARN Cc1ccn(S(=O)(=O)c2cc(C)c(Br)cc2C)n1 ZINC000016578032 471941962 /nfs/dbraw/zinc/94/19/62/471941962.db2.gz WYPHWPSCAPNWNK-UHFFFAOYSA-N 0 0 329.219 2.808 50 0 EFAARN CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015652958 471913264 /nfs/dbraw/zinc/91/32/64/471913264.db2.gz UXCVSWXSMAUHFO-CQSZACIVSA-N 0 0 338.473 2.780 50 0 EFAARN Cc1cc(OC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc(C)c1Cl ZINC000015684916 471914313 /nfs/dbraw/zinc/91/43/13/471914313.db2.gz QGQDKOATNVCHBW-QLFBSQMISA-N 0 0 327.852 2.806 50 0 EFAARN COc1ccc(-n2ccn(Cc3cccc(Cl)c3)c(=O)c2=O)cc1 ZINC000015675223 471914360 /nfs/dbraw/zinc/91/43/60/471914360.db2.gz QTVAKKFHPWYYLD-UHFFFAOYSA-N 0 0 342.782 2.710 50 0 EFAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000015836406 471919084 /nfs/dbraw/zinc/91/90/84/471919084.db2.gz CFNQUSFXODFFIA-OAHLLOKOSA-N 0 0 334.397 2.764 50 0 EFAARN COc1cc(C(=O)Nc2ccc3nccnc3c2)cc(OC)c1OC 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Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000016362211 471932917 /nfs/dbraw/zinc/93/29/17/471932917.db2.gz JCGZBCWIYGMUFL-CQSZACIVSA-N 0 0 338.473 2.729 50 0 EFAARN O=C(CCc1nc2ccccc2[nH]c1=O)OCc1cccc(F)c1 ZINC000016399696 471935228 /nfs/dbraw/zinc/93/52/28/471935228.db2.gz RESCJGCIRSSTBW-UHFFFAOYSA-N 0 0 326.327 2.738 50 0 EFAARN O=S(=O)(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000016513507 471940156 /nfs/dbraw/zinc/94/01/56/471940156.db2.gz ANRLXOUBRLJDCD-OAHLLOKOSA-N 0 0 340.828 2.695 50 0 EFAARN O[C@@H](COC1CCCCC1)CN1CCN(c2ccccc2F)CC1 ZINC000016578639 471941106 /nfs/dbraw/zinc/94/11/06/471941106.db2.gz XFQRGMPDUTWLCJ-MRXNPFEDSA-N 0 0 336.451 2.658 50 0 EFAARN COc1cccc(CN2CCN(C(=O)NCc3ccccc3)CC2)c1 ZINC000016579287 471941312 /nfs/dbraw/zinc/94/13/12/471941312.db2.gz XRXQUKDHQWTUJK-UHFFFAOYSA-N 0 0 339.439 2.723 50 0 EFAARN COC(=O)c1ccc(C)c(NS(=O)(=O)Cc2ccccc2F)c1 ZINC000016578348 471941410 /nfs/dbraw/zinc/94/14/10/471941410.db2.gz BTHLJEBEYQXCQT-UHFFFAOYSA-N 0 0 337.372 2.863 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/nfs/dbraw/zinc/02/69/34/472026934.db2.gz CBNWNGAKVHQFGC-UHFFFAOYSA-N 0 0 336.501 2.861 50 0 EFAARN Oc1nc2nnc(Nc3ccccc3)n2c2c1cnn2-c1ccccc1 ZINC000040216536 472030588 /nfs/dbraw/zinc/03/05/88/472030588.db2.gz ITPARAAFFPWFAH-UHFFFAOYSA-N 0 0 343.350 2.912 50 0 EFAARN CSC1=Nc2c(c(=O)nc3scnn32)[C@@H](c2ccco2)S1 ZINC000023424372 472033016 /nfs/dbraw/zinc/03/30/16/472033016.db2.gz HQPYQAAZLXGKCB-MRVPVSSYSA-N 0 0 336.423 2.931 50 0 EFAARN Cn1cc(-c2ccnc(N3CCC(c4cccc(O)c4)CC3)n2)cn1 ZINC000023542422 472035399 /nfs/dbraw/zinc/03/53/99/472035399.db2.gz NTCXOROMAUXRLJ-UHFFFAOYSA-N 0 0 335.411 2.967 50 0 EFAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c1 ZINC000041014440 472042815 /nfs/dbraw/zinc/04/28/15/472042815.db2.gz NIHAHIPWNHQRNX-ZDUSSCGKSA-N 0 0 340.379 2.756 50 0 EFAARN CN(Cc1cccn1-c1ncccn1)Cc1[nH]nc2c1CCCCC2 ZINC000067514947 472043172 /nfs/dbraw/zinc/04/31/72/472043172.db2.gz RSDZZWPNWLKAIR-UHFFFAOYSA-N 0 0 336.443 2.891 50 0 EFAARN COc1ccc(CCNc2nc3ccccc3c(NCCO)n2)cc1 ZINC000024052679 472044506 /nfs/dbraw/zinc/04/45/06/472044506.db2.gz LENYCACZQKQLFL-UHFFFAOYSA-N 0 0 338.411 2.697 50 0 biogenic EFAARN CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)Oc3ccccc32)cc1 ZINC000041157601 472048456 /nfs/dbraw/zinc/04/84/56/472048456.db2.gz TXZAYKKFSCMVRM-LBPRGKRZSA-N 0 0 346.408 2.621 50 0 EFAARN Cc1ccccc1-c1noc(CNS(=O)(=O)c2cccs2)n1 ZINC000041152587 472048585 /nfs/dbraw/zinc/04/85/85/472048585.db2.gz VLOFPUJERLFKGZ-UHFFFAOYSA-N 0 0 335.410 2.585 50 0 EFAARN COc1ccc(OCC(=O)NCCOc2cccc(C)c2C)cc1 ZINC000041156764 472048659 /nfs/dbraw/zinc/04/86/59/472048659.db2.gz CLHAONXPBBHPAT-UHFFFAOYSA-N 0 0 329.396 2.886 50 0 EFAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccco3)n2)cc1 ZINC000041254486 472050862 /nfs/dbraw/zinc/05/08/62/472050862.db2.gz AWQAAWCWSDPZNA-UHFFFAOYSA-N 0 0 337.379 2.518 50 0 EFAARN O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000024373291 472053235 /nfs/dbraw/zinc/05/32/35/472053235.db2.gz FPYIAEALNXIQHS-HNNXBMFYSA-N 0 0 327.775 2.749 50 0 EFAARN Cc1ccc(NC(=O)c2cccc(CN(C)Cc3ccno3)c2)nn1 ZINC000067587077 472053827 /nfs/dbraw/zinc/05/38/27/472053827.db2.gz BWPGAXVCOUBYAG-UHFFFAOYSA-N 0 0 337.383 2.657 50 0 EFAARN Nc1ccnc(N2CCC(CO)(Cc3ccccc3Cl)CC2)n1 ZINC000067604428 472057502 /nfs/dbraw/zinc/05/75/02/472057502.db2.gz YXABYGQOIHOGDD-UHFFFAOYSA-N 0 0 332.835 2.534 50 0 EFAARN OC[C@@]1(CCc2ccccc2)CCCN(c2ncnc3nc[nH]c32)C1 ZINC000067672883 472069160 /nfs/dbraw/zinc/06/91/60/472069160.db2.gz AUBAGAPQXUFOAB-LJQANCHMSA-N 0 0 337.427 2.565 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)NCc2nc3ccccc3n2C)C1 ZINC000067696009 472073165 /nfs/dbraw/zinc/07/31/65/472073165.db2.gz LQATUSHHAXIXBQ-CQSZACIVSA-N 0 0 330.432 2.674 50 0 EFAARN COc1cc(N2CCC[C@@](CO)(Cc3ccccc3C)C2)ncn1 ZINC000067691234 472073506 /nfs/dbraw/zinc/07/35/06/472073506.db2.gz XZKMYJNFTLAEDB-LJQANCHMSA-N 0 0 327.428 2.615 50 0 EFAARN Nc1cc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)ncn1 ZINC000067690526 472073604 /nfs/dbraw/zinc/07/36/04/472073604.db2.gz RNYMHRQAHOVOFW-ZDUSSCGKSA-N 0 0 338.390 2.972 50 0 EFAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nnc(C(C)C)s3)c12 ZINC000025048327 472078093 /nfs/dbraw/zinc/07/80/93/472078093.db2.gz PNTHBQMNRONTEP-UHFFFAOYSA-N 0 0 330.417 2.812 50 0 EFAARN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC000067724428 472079093 /nfs/dbraw/zinc/07/90/93/472079093.db2.gz IZPDMWMTCUUQOI-CYBMUJFWSA-N 0 0 333.819 2.902 50 0 EFAARN COc1ccc(CC2(CO)CCN(c3nc(C)ncc3C)CC2)cc1 ZINC000067723776 472079334 /nfs/dbraw/zinc/07/93/34/472079334.db2.gz IAESGYUGQXKVAI-UHFFFAOYSA-N 0 0 341.455 2.924 50 0 EFAARN CCc1c[nH]nc1C1CCN(C(=O)c2scc3c2OCCO3)CC1 ZINC000067724441 472080048 /nfs/dbraw/zinc/08/00/48/472080048.db2.gz SOGHIGQFFLMISD-UHFFFAOYSA-N 0 0 347.440 2.825 50 0 EFAARN O=C(CCc1nc2ccccc2[nH]1)Nc1n[nH]c(-c2ccccc2)n1 ZINC000025159011 472082536 /nfs/dbraw/zinc/08/25/36/472082536.db2.gz IVHNZWNTIJAOOB-UHFFFAOYSA-N 0 0 332.367 2.919 50 0 EFAARN COc1c(F)cccc1C(=O)N1CCN(c2ncccc2C)CC1 ZINC000067755903 472084819 /nfs/dbraw/zinc/08/48/19/472084819.db2.gz CVUPIVZXCXLAGO-UHFFFAOYSA-N 0 0 329.375 2.500 50 0 EFAARN Nc1nccc(N2CCC(CO)(CCCc3ccccc3)CC2)n1 ZINC000067879743 472103236 /nfs/dbraw/zinc/10/32/36/472103236.db2.gz XWMNSXWGSICEJS-UHFFFAOYSA-N 0 0 326.444 2.661 50 0 EFAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000025759599 472110914 /nfs/dbraw/zinc/11/09/14/472110914.db2.gz BSBSFRXQSPMODA-UHFFFAOYSA-N 0 0 336.340 2.601 50 0 EFAARN Cn1c(SCC(=O)NC2CCCCC2)nc2ccsc2c1=O ZINC000026100012 472122851 /nfs/dbraw/zinc/12/28/51/472122851.db2.gz QJEJOFJZSHRPOX-UHFFFAOYSA-N 0 0 337.470 2.536 50 0 EFAARN CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026259425 472129573 /nfs/dbraw/zinc/12/95/73/472129573.db2.gz CXDWHYOBSJTRJU-YCEXZFRFSA-N 0 0 346.467 2.809 50 0 EFAARN Cc1cccnc1C[C@@H](C)NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000055054652 472134647 /nfs/dbraw/zinc/13/46/47/472134647.db2.gz DLPXFGLNQGWYFA-CQSZACIVSA-N 0 0 347.418 2.622 50 0 EFAARN CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)n2cncn2)ccc1Cl ZINC000055060485 472137085 /nfs/dbraw/zinc/13/70/85/472137085.db2.gz ABGPITAKXJGRAF-SNVBAGLBSA-N 0 0 336.779 2.696 50 0 EFAARN Cc1ccc(S[C@@H](C)C(=O)NCc2nnc3ccccn32)cc1 ZINC000026504636 472139941 /nfs/dbraw/zinc/13/99/41/472139941.db2.gz IXDYBPMLYSHJKW-ZDUSSCGKSA-N 0 0 326.425 2.835 50 0 EFAARN Cc1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000026533933 472140901 /nfs/dbraw/zinc/14/09/01/472140901.db2.gz MHTBIVPOPGBXGP-XNTDXEJSSA-N 0 0 337.379 2.813 50 0 EFAARN CCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000042629810 472152287 /nfs/dbraw/zinc/15/22/87/472152287.db2.gz ICXFAUHCQBCFLP-UHFFFAOYSA-N 0 0 338.473 2.733 50 0 EFAARN C[C@H](Cc1ccco1)NS(=O)(=O)c1ccccc1Br ZINC000026881648 472154065 /nfs/dbraw/zinc/15/40/65/472154065.db2.gz DDUSDGBXYFBSKL-SNVBAGLBSA-N 0 0 344.230 2.952 50 0 EFAARN O=c1/c(=C/c2ccccc2)sc2nc(/C=C/c3cccs3)nn12 ZINC000027021927 472159761 /nfs/dbraw/zinc/15/97/61/472159761.db2.gz CWSOEGXOIFKTRT-LSHJULRISA-N 0 0 337.429 2.931 50 0 EFAARN COc1ccc(Nc2nn3c(nnc(C(C)(C)C)c3=O)s2)cc1 ZINC000027299115 472170518 /nfs/dbraw/zinc/17/05/18/472170518.db2.gz TUTSRBQHYZDFQR-UHFFFAOYSA-N 0 0 331.401 2.596 50 0 EFAARN O=C(NCCC1=CCCCC1)N1CCN(Cc2cccnc2)CC1 ZINC000042837120 472174161 /nfs/dbraw/zinc/17/41/61/472174161.db2.gz JIRVDUIIOIAEBH-UHFFFAOYSA-N 0 0 328.460 2.799 50 0 EFAARN O=C(NCCc1ccccc1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000042863576 472178090 /nfs/dbraw/zinc/17/80/90/472178090.db2.gz IOVSKEVQMLPXKE-MRXNPFEDSA-N 0 0 335.411 2.819 50 0 EFAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccco1 ZINC000027662097 472189826 /nfs/dbraw/zinc/18/98/26/472189826.db2.gz DGKGEHHRAPDVKS-OAHLLOKOSA-N 0 0 334.803 2.736 50 0 EFAARN O=C(CSC(=S)N1CCCCC1)n1ncc2ccc(O)cc21 ZINC000043198629 472209373 /nfs/dbraw/zinc/20/93/73/472209373.db2.gz CGZGBTZQJKERJA-UHFFFAOYSA-N 0 0 335.454 2.886 50 0 EFAARN O=C1CC23CC(=O)CC2(C1)CCC12CC(=O)CC1(CC(=O)C2)CC3 ZINC000043198695 472210121 /nfs/dbraw/zinc/21/01/21/472210121.db2.gz GMFWPZPIFKRGSC-UHFFFAOYSA-N 0 0 328.408 2.958 50 0 EFAARN O=C(NCc1ccco1)c1cc2c(cc1Br)OCCO2 ZINC000028048554 472212047 /nfs/dbraw/zinc/21/20/47/472212047.db2.gz ALOAQHQYFGPXSY-UHFFFAOYSA-N 0 0 338.157 2.743 50 0 EFAARN C[C@]1(c2nc(C3CC3)no2)CCCN(Cc2noc(C3CC3)n2)C1 ZINC000075876541 472213893 /nfs/dbraw/zinc/21/38/93/472213893.db2.gz XZKYSWBUFYJNMW-KRWDZBQOSA-N 0 0 329.404 2.761 50 0 EFAARN Cn1ccnc1CN1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000043268228 472214584 /nfs/dbraw/zinc/21/45/84/472214584.db2.gz WUQSWBNDAXVGCY-UHFFFAOYSA-N 0 0 332.835 2.924 50 0 EFAARN Cc1ccc(OCC(=O)OCC(=O)NCc2ccccc2Cl)cc1 ZINC000028614062 472230834 /nfs/dbraw/zinc/23/08/34/472230834.db2.gz PQPOSWSIJXOGMQ-UHFFFAOYSA-N 0 0 347.798 2.887 50 0 EFAARN COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccs1 ZINC000085412992 472246078 /nfs/dbraw/zinc/24/60/78/472246078.db2.gz XBELOGUZTDNLIW-WFASDCNBSA-N 0 0 328.345 2.920 50 0 EFAARN O=S(=O)(c1cccc(Cl)c1)N1CCC(Cn2cccn2)CC1 ZINC000085436404 472247477 /nfs/dbraw/zinc/24/74/77/472247477.db2.gz HOGOWIGBEBBJNA-UHFFFAOYSA-N 0 0 339.848 2.637 50 0 EFAARN COc1ccccc1CCNc1nc2ccccc2c(NCCO)n1 ZINC000029078713 472248749 /nfs/dbraw/zinc/24/87/49/472248749.db2.gz WPYIVJLVWXONPG-UHFFFAOYSA-N 0 0 338.411 2.697 50 0 EFAARN O=C(NC[C@H](Cc1cccc(F)c1)N1CCCC1=O)c1ccsc1 ZINC000085467440 472250946 /nfs/dbraw/zinc/25/09/46/472250946.db2.gz JHAJJCJIEQXFRQ-INIZCTEOSA-N 0 0 346.427 2.851 50 0 EFAARN O=C(NCCCc1ccccc1)N1CCC(Oc2ncccn2)CC1 ZINC000085471766 472251398 /nfs/dbraw/zinc/25/13/98/472251398.db2.gz FNJGPCCYRREHPR-UHFFFAOYSA-N 0 0 340.427 2.662 50 0 EFAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)c1ccc(=O)[nH]c1 ZINC000085470989 472252045 /nfs/dbraw/zinc/25/20/45/472252045.db2.gz HMCIZRLDVXZGIM-UHFFFAOYSA-N 0 0 343.383 2.876 50 0 EFAARN COc1ccc(Cl)cc1C(=O)Nc1cnc(-n2ccnc2C)nc1 ZINC000085470433 472252093 /nfs/dbraw/zinc/25/20/93/472252093.db2.gz JIUIGGKQWYCVHD-UHFFFAOYSA-N 0 0 343.774 2.885 50 0 EFAARN Cn1cc(-c2ccco2)nc1CCNC(=O)COc1ccc(F)cc1 ZINC000085471262 472252128 /nfs/dbraw/zinc/25/21/28/472252128.db2.gz RZPJEQKHFXBVJC-UHFFFAOYSA-N 0 0 343.358 2.557 50 0 EFAARN Cc1nc(OCC(=O)Nc2ccccc2Cl)cc(-n2cccn2)n1 ZINC000085471899 472252200 /nfs/dbraw/zinc/25/22/00/472252200.db2.gz WVUKXUKNWMQZFZ-UHFFFAOYSA-N 0 0 343.774 2.642 50 0 EFAARN O=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)C1CCC1 ZINC000085470793 472252359 /nfs/dbraw/zinc/25/23/59/472252359.db2.gz FOGSKDYSYJCTRF-AWEZNQCLSA-N 0 0 340.402 2.778 50 0 EFAARN COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000085474436 472252942 /nfs/dbraw/zinc/25/29/42/472252942.db2.gz JPEOMTHAAKTTDY-UHFFFAOYSA-N 0 0 347.795 2.909 50 0 EFAARN Cc1cc(C)n(-c2nc(CCNC(=O)Cc3ccccc3)cs2)n1 ZINC000085473508 472253548 /nfs/dbraw/zinc/25/35/48/472253548.db2.gz FQIULVGIWAGUCH-UHFFFAOYSA-N 0 0 340.452 2.847 50 0 EFAARN O=S(=O)(NCCCn1ccnc1-c1ccccc1)c1cccs1 ZINC000085555102 472255518 /nfs/dbraw/zinc/25/55/18/472255518.db2.gz TXPGLRBIUYCGLY-UHFFFAOYSA-N 0 0 347.465 2.980 50 0 EFAARN COc1ccc(C(=O)NCc2sc(-c3cccs3)nc2C)nn1 ZINC000085555970 472256247 /nfs/dbraw/zinc/25/62/47/472256247.db2.gz CBFPGIKIJLGKIT-UHFFFAOYSA-N 0 0 346.437 2.909 50 0 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ZINC000044391293 472304386 /nfs/dbraw/zinc/30/43/86/472304386.db2.gz OWODEKMHQLGZGF-ZDUSSCGKSA-N 0 0 341.411 2.539 50 0 EFAARN O=C(NCCOc1ccc(F)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000044442531 472307422 /nfs/dbraw/zinc/30/74/22/472307422.db2.gz DNLADBQBQYNHDX-UHFFFAOYSA-N 0 0 339.370 2.879 50 0 EFAARN O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc[nH]c1=O ZINC000044442447 472307760 /nfs/dbraw/zinc/30/77/60/472307760.db2.gz QXEBASTWYAQELB-UHFFFAOYSA-N 0 0 334.375 2.884 50 0 EFAARN Cn1cnnc1C1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069413879 472335474 /nfs/dbraw/zinc/33/54/74/472335474.db2.gz ZVMNVVRJNAZWKU-STQMWFEESA-N 0 0 344.381 2.890 50 0 EFAARN COC(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2)c1 ZINC000044769812 472337397 /nfs/dbraw/zinc/33/73/97/472337397.db2.gz AFNVVGPGGMWXSW-UHFFFAOYSA-N 0 0 327.336 2.577 50 0 EFAARN O=C(CN1C(=O)COc2cc(Cl)ccc21)Nc1ccccc1F ZINC000044841765 472342666 /nfs/dbraw/zinc/34/26/66/472342666.db2.gz CZMLNTWCFHBHLT-UHFFFAOYSA-N 0 0 334.734 2.843 50 0 EFAARN CNc1snc(C)c1C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000069452062 472346879 /nfs/dbraw/zinc/34/68/79/472346879.db2.gz MQGRLTJYDFFHRY-ZDUSSCGKSA-N 0 0 348.472 2.962 50 0 EFAARN Cc1cc2c([nH]c(CSCC(=O)Nc3cccnc3)nc2=O)s1 ZINC000044900478 472351114 /nfs/dbraw/zinc/35/11/14/472351114.db2.gz ZKKOEEFOWXLSHG-UHFFFAOYSA-N 0 0 346.437 2.560 50 0 EFAARN O=c1nc2n(n1CCCc1ccccc1)C(=O)N(c1ccccc1)C2 ZINC000044916694 472352402 /nfs/dbraw/zinc/35/24/02/472352402.db2.gz TZIUEPVSUCDLSQ-UHFFFAOYSA-N 0 0 334.379 2.666 50 0 EFAARN COCc1nc2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc2[nH]1 ZINC000044917401 472353080 /nfs/dbraw/zinc/35/30/80/472353080.db2.gz WNBAKIOPLIJMKZ-UHFFFAOYSA-N 0 0 347.396 2.519 50 0 EFAARN Cc1ccc(NC(=O)CN2CCCNC2=O)c(SC(F)(F)F)c1 ZINC000069518923 472362103 /nfs/dbraw/zinc/36/21/03/472362103.db2.gz NXBYNIDJJVGDCX-UHFFFAOYSA-N 0 0 347.362 2.961 50 0 EFAARN COc1cccc(C(=O)c2ccccc2I)n1 ZINC000045028731 472366187 /nfs/dbraw/zinc/36/61/87/472366187.db2.gz WKALQWIGCXPKOR-UHFFFAOYSA-N 0 0 339.132 2.926 50 0 EFAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(C[C@@H]1CCCO1)CO3 ZINC000057099745 472382432 /nfs/dbraw/zinc/38/24/32/472382432.db2.gz WVTSUFHJNOVLQF-HNNXBMFYSA-N 0 0 329.396 2.995 50 0 EFAARN Cc1cc(C)c(C(=O)Cn2c3ccccc3n(C)c(=O)c2=O)c(C)c1 ZINC000045221880 472383615 /nfs/dbraw/zinc/38/36/15/472383615.db2.gz XUTOBYLWQCWQMI-UHFFFAOYSA-N 0 0 336.391 2.508 50 0 EFAARN C[C@H](NC(=O)Cn1cccnc1=O)c1ccccc1Oc1ccccc1 ZINC000069626257 472385243 /nfs/dbraw/zinc/38/52/43/472385243.db2.gz YYOGVIFYGBYVGM-HNNXBMFYSA-N 0 0 349.390 2.913 50 0 EFAARN C[C@@H](NC(=O)Cn1cccnc1=O)c1ccccc1Oc1ccccc1 ZINC000069626262 472385399 /nfs/dbraw/zinc/38/53/99/472385399.db2.gz YYOGVIFYGBYVGM-OAHLLOKOSA-N 0 0 349.390 2.913 50 0 EFAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000031903940 472401199 /nfs/dbraw/zinc/40/11/99/472401199.db2.gz JGFQLXZFHLZCLX-UHFFFAOYSA-N 0 0 345.848 2.612 50 0 EFAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1nnc2ccccn21 ZINC000031952541 472404950 /nfs/dbraw/zinc/40/49/50/472404950.db2.gz SDSREYQJRYFNEO-GFCCVEGCSA-N 0 0 332.367 2.610 50 0 EFAARN O=C(Nc1cc(F)c(F)c(F)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000032073922 472411790 /nfs/dbraw/zinc/41/17/90/472411790.db2.gz FZHPMOOAVYBKJE-AWEZNQCLSA-N 0 0 347.300 2.513 50 0 EFAARN COCCNC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc21 ZINC000032090975 472413433 /nfs/dbraw/zinc/41/34/33/472413433.db2.gz WJEVAKGLMHKAMX-UHFFFAOYSA-N 0 0 325.343 2.812 50 0 EFAARN CCCCc1ccc(Nc2nc3nccnc3c(NCCO)n2)cc1 ZINC000032094594 472414372 /nfs/dbraw/zinc/41/43/72/472414372.db2.gz NXLHLYWXJRGUON-UHFFFAOYSA-N 0 0 338.415 2.910 50 0 EFAARN Cn1cc(C(=O)NCCNC(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000032123766 472415832 /nfs/dbraw/zinc/41/58/32/472415832.db2.gz ZUJUZDVTKFJZCH-VAWYXSNFSA-N 0 0 347.418 2.738 50 0 biogenic EFAARN Cc1ccc(C(=O)NC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000032099687 472415852 /nfs/dbraw/zinc/41/58/52/472415852.db2.gz GSPQIQYWMPVFBT-UHFFFAOYSA-N 0 0 328.393 2.528 50 0 EFAARN COc1ccc(-c2nnc3sc(-c4cc(C)nn4C)nn32)cc1 ZINC000032103775 472415972 /nfs/dbraw/zinc/41/59/72/472415972.db2.gz BBDNQYYULHTLCW-UHFFFAOYSA-N 0 0 326.385 2.570 50 0 EFAARN Clc1cccc(CN2CCN(c3ncnc4c3CCC4)CC2)c1 ZINC000076920047 472424226 /nfs/dbraw/zinc/42/42/26/472424226.db2.gz UUXFWKHLRMPMGU-UHFFFAOYSA-N 0 0 328.847 2.941 50 0 EFAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1C ZINC000057416821 472430684 /nfs/dbraw/zinc/43/06/84/472430684.db2.gz SGVJTVLGIYVWLK-UHFFFAOYSA-N 0 0 339.486 2.736 50 0 EFAARN CCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCC ZINC000057425104 472432017 /nfs/dbraw/zinc/43/20/17/472432017.db2.gz VLWKDDVOCWNSHJ-UHFFFAOYSA-N 0 0 339.486 2.876 50 0 EFAARN CCc1nc([C@H]2CCCCn3nnnc32)n(-c2ccc3c(c2)CCC3)n1 ZINC000097088538 472442017 /nfs/dbraw/zinc/44/20/17/472442017.db2.gz YQYYEXIUQWZFMQ-MRXNPFEDSA-N 0 0 349.442 2.621 50 0 EFAARN CCc1nc([C@@H]2CCCCn3nnnc32)n(-c2ccc3c(c2)CCC3)n1 ZINC000097088536 472442466 /nfs/dbraw/zinc/44/24/66/472442466.db2.gz YQYYEXIUQWZFMQ-INIZCTEOSA-N 0 0 349.442 2.621 50 0 EFAARN COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2OC)cc1 ZINC000057471916 472443060 /nfs/dbraw/zinc/44/30/60/472443060.db2.gz LXGNSSTUKAGORR-CYBMUJFWSA-N 0 0 343.379 2.738 50 0 EFAARN COc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)c(C)c1 ZINC000057472101 472443140 /nfs/dbraw/zinc/44/31/40/472443140.db2.gz XWFCXACMEDAADT-UHFFFAOYSA-N 0 0 327.380 2.785 50 0 EFAARN C[C@@H](NS(=O)(=O)c1cccc2nonc21)c1ccc(Cl)cc1 ZINC000032578712 472443715 /nfs/dbraw/zinc/44/37/15/472443715.db2.gz NTLJYAYCPBPFDU-SECBINFHSA-N 0 0 337.788 2.916 50 0 EFAARN COc1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000089469663 472445454 /nfs/dbraw/zinc/44/54/54/472445454.db2.gz VNKHCWQSLKFNQA-JTQLQIEISA-N 0 0 344.319 2.579 50 0 biogenic EFAARN Cc1ccc2c(=O)n(C[C@H]3CCCN(C(=O)C4CC4)C3)cnc2c1C ZINC000032603527 472446520 /nfs/dbraw/zinc/44/65/20/472446520.db2.gz LFIANFFVVVTJCS-HNNXBMFYSA-N 0 0 339.439 2.662 50 0 EFAARN CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccccc1F ZINC000057505002 472446632 /nfs/dbraw/zinc/44/66/32/472446632.db2.gz ACVZTSYLFQBZRI-UHFFFAOYSA-N 0 0 349.412 2.958 50 0 EFAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2C)c(C)c1 ZINC000032602391 472447199 /nfs/dbraw/zinc/44/71/99/472447199.db2.gz HPJUGOMOVFPXRD-UHFFFAOYSA-N 0 0 332.425 2.820 50 0 EFAARN O=c1[nH]c(=S)[nH]cc1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000057509342 472447700 /nfs/dbraw/zinc/44/77/00/472447700.db2.gz YZJAUFNHIXAROC-UHFFFAOYSA-N 0 0 336.316 2.696 50 0 EFAARN Cc1ccc(-n2nnc(C(=O)Nc3cc(F)ccc3F)c2N)cc1C ZINC000057509166 472447848 /nfs/dbraw/zinc/44/78/48/472447848.db2.gz DYSMAQHTEAIUGG-UHFFFAOYSA-N 0 0 343.337 2.997 50 0 EFAARN COc1ccccc1OCC(=O)Nc1noc(-c2ccc(F)cc2)n1 ZINC000032622739 472447926 /nfs/dbraw/zinc/44/79/26/472447926.db2.gz HMQLCKDEJWNWPB-UHFFFAOYSA-N 0 0 343.314 2.902 50 0 EFAARN Cc1cc2nc(SCC(=O)Nc3cccc(C)c3C)[nH]c(=O)c2[nH]1 ZINC000057521079 472448198 /nfs/dbraw/zinc/44/81/98/472448198.db2.gz CXPJYAOXOHMCIZ-UHFFFAOYSA-N 0 0 342.424 2.907 50 0 EFAARN CSCC[C@H](NC(=O)c1c(C)noc1C)c1nnc2ccccn21 ZINC000057563737 472450680 /nfs/dbraw/zinc/45/06/80/472450680.db2.gz GASLANCGVMYTKM-LBPRGKRZSA-N 0 0 345.428 2.558 50 0 EFAARN Cc1cc(S(=O)(=O)NCC[C@@H](O)C2CC2)c(Cl)cc1Cl ZINC000077108122 472453857 /nfs/dbraw/zinc/45/38/57/472453857.db2.gz BHFKWFWFWVFCNQ-GFCCVEGCSA-N 0 0 338.256 2.741 50 0 EFAARN Cc1nnsc1C(=O)NCC[C@H](O)c1cccc2ccccc21 ZINC000077116406 472455232 /nfs/dbraw/zinc/45/52/32/472455232.db2.gz DAKCMHASAVSVKI-HNNXBMFYSA-N 0 0 327.409 2.853 50 0 EFAARN Cc1noc(C)c1[C@@H]1CCCN1Cc1cnc(N2CCOCC2)s1 ZINC000097172861 472472712 /nfs/dbraw/zinc/47/27/12/472472712.db2.gz GDUGGKTXGCABFW-HNNXBMFYSA-N 0 0 348.472 2.922 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1nc(-c3ccco3)sc1C)C2 ZINC000097198198 472474150 /nfs/dbraw/zinc/47/41/50/472474150.db2.gz ZIIGMUMQHRFQAX-GFCCVEGCSA-N 0 0 342.424 2.961 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)C1(c3cccc(F)c3)CCC1)C2 ZINC000097199235 472475607 /nfs/dbraw/zinc/47/56/07/472475607.db2.gz IGROXVZROPUENN-INIZCTEOSA-N 0 0 327.403 2.884 50 0 EFAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(-c3cccc(F)c3)no1)C2 ZINC000097198620 472475856 /nfs/dbraw/zinc/47/58/56/472475856.db2.gz LXLVBYIEWAKKET-CQSZACIVSA-N 0 0 340.358 2.730 50 0 EFAARN Cc1cn2nc(N3CC[C@H](CNc4ccc(C)cn4)C3)sc2n1 ZINC000097200960 472476656 /nfs/dbraw/zinc/47/66/56/472476656.db2.gz CNUIRVVRLINIHE-CYBMUJFWSA-N 0 0 328.445 2.741 50 0 EFAARN c1coc(-c2nnc(CN3CC[C@H](CNc4ccccn4)C3)o2)c1 ZINC000097200486 472476704 /nfs/dbraw/zinc/47/67/04/472476704.db2.gz APRCFZGLUBTFSX-CYBMUJFWSA-N 0 0 325.372 2.659 50 0 EFAARN CC(C)c1cc(N2CC[C@H](CNc3ccccn3)C2)n2ncnc2n1 ZINC000097200917 472477212 /nfs/dbraw/zinc/47/72/12/472477212.db2.gz PBLLGAKHABFKGZ-CQSZACIVSA-N 0 0 337.431 2.581 50 0 EFAARN Cc1cn2nc(N3CC[C@@H](CNc4ccc(C)cn4)C3)sc2n1 ZINC000097200959 472478293 /nfs/dbraw/zinc/47/82/93/472478293.db2.gz CNUIRVVRLINIHE-ZDUSSCGKSA-N 0 0 328.445 2.741 50 0 EFAARN O[C@@H](CN1CCO[C@H](c2nccs2)C1)c1cc(F)ccc1F ZINC000097199963 472478664 /nfs/dbraw/zinc/47/86/64/472478664.db2.gz OUBXYPSDXAXFTH-KBPBESRZSA-N 0 0 326.368 2.528 50 0 EFAARN CC(C)Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccccn3)n[nH]2)n1 ZINC000097213067 472480887 /nfs/dbraw/zinc/48/08/87/472480887.db2.gz DRZMULOBPMHKIC-LLVKDONJSA-N 0 0 340.387 2.544 50 0 EFAARN COc1ccc([C@H]2CCN(C(=O)CNC(=O)CC3CCCC3)C2)cc1 ZINC000070013086 472484139 /nfs/dbraw/zinc/48/41/39/472484139.db2.gz SFQYMXUXONKHBU-KRWDZBQOSA-N 0 0 344.455 2.708 50 0 EFAARN COC(=O)[C@@H](CSCc1ccccc1)NC(=O)OC(C)(C)C ZINC000077273715 472491862 /nfs/dbraw/zinc/49/18/62/472491862.db2.gz KXUSUGVJXKJTBL-CYBMUJFWSA-N 0 0 325.430 2.986 50 0 in-vitro EFAARN O=C1c2ccccc2C(=O)N1CCCC1(c2ccccc2)OCCO1 ZINC000118304670 472492991 /nfs/dbraw/zinc/49/29/91/472492991.db2.gz KKIJKUYDQHEHRO-UHFFFAOYSA-N 0 0 337.375 2.963 50 0 EFAARN Cc1ncsc1CCC(=O)N1CCCN(Cc2cccnc2)CC1 ZINC000077287339 472494012 /nfs/dbraw/zinc/49/40/12/472494012.db2.gz QIRMSVOXERBPBK-UHFFFAOYSA-N 0 0 344.484 2.514 50 0 EFAARN Nc1cc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)ccn1 ZINC000077285254 472494162 /nfs/dbraw/zinc/49/41/62/472494162.db2.gz XZORVFFYEOXENU-KRWDZBQOSA-N 0 0 337.423 2.718 50 0 EFAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000077287077 472494606 /nfs/dbraw/zinc/49/46/06/472494606.db2.gz WOZIKSXHBBJKNJ-HNNXBMFYSA-N 0 0 338.415 2.548 50 0 EFAARN CC(=O)N[C@@H]1CN(c2ccc(C(C)=O)cn2)C[C@H]1c1ccc(C)cc1 ZINC000077287943 472494656 /nfs/dbraw/zinc/49/46/56/472494656.db2.gz DLPYOVJBEMODOO-RBUKOAKNSA-N 0 0 337.423 2.701 50 0 EFAARN CSc1ncccc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000077287003 472494696 /nfs/dbraw/zinc/49/46/96/472494696.db2.gz BBQYIYCKAVTYSF-UHFFFAOYSA-N 0 0 348.859 2.814 50 0 EFAARN COC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 ZINC000033089044 472495797 /nfs/dbraw/zinc/49/57/97/472495797.db2.gz OOIKKHMPXKQIOM-UHFFFAOYSA-N 0 0 348.358 2.597 50 0 EFAARN Cc1noc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c12 ZINC000077299109 472496644 /nfs/dbraw/zinc/49/66/44/472496644.db2.gz HIWPOEHTBGGKRF-UHFFFAOYSA-N 0 0 343.818 2.902 50 0 EFAARN COc1cccc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)c1 ZINC000077303875 472496750 /nfs/dbraw/zinc/49/67/50/472496750.db2.gz SMSYETLYFAEJFG-GOSISDBHSA-N 0 0 338.407 2.850 50 0 EFAARN O=C(Cc1ccccc1O)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077300949 472497148 /nfs/dbraw/zinc/49/71/48/472497148.db2.gz MWFAFWBEAJWGEU-FQEVSTJZSA-N 0 0 339.435 2.777 50 0 EFAARN CC(C)(C)OC(=O)NC1CCN(c2nc(Cl)ncc2F)CC1 ZINC000070461074 472499115 /nfs/dbraw/zinc/49/91/15/472499115.db2.gz BVPUNKXPSXMAET-UHFFFAOYSA-N 0 0 330.791 2.763 50 0 EFAARN CCCC[C@H]1C=CCN1C(=O)c1nccnc1C(=O)N1CCCCC1 ZINC000097546666 472499724 /nfs/dbraw/zinc/49/97/24/472499724.db2.gz JFOONCAPLMJUSL-HNNXBMFYSA-N 0 0 342.443 2.674 50 0 EFAARN CNc1nc(C(=O)N2CCN(c3ccccc3C)C[C@H]2C)cs1 ZINC000077318937 472501406 /nfs/dbraw/zinc/50/14/06/472501406.db2.gz RUHHWPHHSJWEJG-CYBMUJFWSA-N 0 0 330.457 2.844 50 0 EFAARN NC(=O)c1csc(N2CCC[C@H](COc3ccccc3F)C2)n1 ZINC000077318992 472501568 /nfs/dbraw/zinc/50/15/68/472501568.db2.gz NBDCMIZKCIEYEE-NSHDSACASA-N 0 0 335.404 2.677 50 0 EFAARN COc1ccc(C2(C(=O)Nc3ccc(OC)nc3)CCOCC2)cc1 ZINC000070666242 472501685 /nfs/dbraw/zinc/50/16/85/472501685.db2.gz TVXRZRFTEBNIID-UHFFFAOYSA-N 0 0 342.395 2.786 50 0 biogenic EFAARN CSc1nccc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077320800 472504083 /nfs/dbraw/zinc/50/40/83/472504083.db2.gz VJZIYFPJRHZQIZ-QGZVFWFLSA-N 0 0 334.489 2.816 50 0 EFAARN CCCOC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000077322526 472504253 /nfs/dbraw/zinc/50/42/53/472504253.db2.gz JHZBJVUSNDOUHG-OAHLLOKOSA-N 0 0 349.479 2.527 50 0 EFAARN CC(=O)Nc1ccc(F)c(NC(=O)N2CCC[C@H]2c2nnc(C)[nH]2)c1 ZINC000097713466 472505838 /nfs/dbraw/zinc/50/58/38/472505838.db2.gz TXVQDNONFWUCMN-AWEZNQCLSA-N 0 0 346.366 2.580 50 0 EFAARN CCOC(=O)c1coc(N2CC[C@H](c3cc(OC)ccc3OC)C2)n1 ZINC000077341470 472507157 /nfs/dbraw/zinc/50/71/57/472507157.db2.gz ZUARXGXTNMNDOP-LBPRGKRZSA-N 0 0 346.383 2.862 50 0 EFAARN CCN(C[C@H]1CCCO1)C(=O)c1cnc(Nc2ccccc2)nc1 ZINC000097797794 472507784 /nfs/dbraw/zinc/50/77/84/472507784.db2.gz JVIIRGKHODSKGB-MRXNPFEDSA-N 0 0 326.400 2.861 50 0 EFAARN O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000077342604 472508168 /nfs/dbraw/zinc/50/81/68/472508168.db2.gz FNHCCZZQHNDRPJ-ZDUSSCGKSA-N 0 0 341.440 2.887 50 0 EFAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)CCCc3cn[nH]c3)C2)c1 ZINC000077355922 472510939 /nfs/dbraw/zinc/51/09/39/472510939.db2.gz XBGZRKFRGNUDMG-OAHLLOKOSA-N 0 0 343.427 2.766 50 0 EFAARN Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ccnc(N)c4)C3)nc21 ZINC000077356705 472511289 /nfs/dbraw/zinc/51/12/89/472511289.db2.gz GTDMJPOKSBSRBS-AWEZNQCLSA-N 0 0 335.411 2.868 50 0 EFAARN CC(C)c1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)no1 ZINC000077355045 472511463 /nfs/dbraw/zinc/51/14/63/472511463.db2.gz BIXFNZLQARJLKR-UHFFFAOYSA-N 0 0 328.416 2.541 50 0 EFAARN Cc1cc(C)n(-c2ccc(C(=O)NCCNc3cccnc3)cc2)n1 ZINC000077358860 472512811 /nfs/dbraw/zinc/51/28/11/472512811.db2.gz DXLAZHXIPUZZKD-UHFFFAOYSA-N 0 0 335.411 2.726 50 0 EFAARN CCOCCn1c2ccc(C(=O)NC3CCCCCC3)cc2[nH]c1=O ZINC000077375340 472514947 /nfs/dbraw/zinc/51/49/47/472514947.db2.gz CKPADLOMUXHPCS-UHFFFAOYSA-N 0 0 345.443 2.819 50 0 EFAARN OCc1ccc(-c2nccn2Cc2nc(-c3ccccc3F)no2)o1 ZINC000077375472 472515680 /nfs/dbraw/zinc/51/56/80/472515680.db2.gz QYILJQSHMATWRW-UHFFFAOYSA-N 0 0 340.314 2.873 50 0 EFAARN COCCN(Cc1nccs1)C(=O)c1cccc(-n2cccn2)c1 ZINC000077387194 472518020 /nfs/dbraw/zinc/51/80/20/472518020.db2.gz SFWZSJKRDRMQQT-UHFFFAOYSA-N 0 0 342.424 2.618 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)c2cnn3c2CCCC3)[C@@H](C)C1 ZINC000077386415 472518478 /nfs/dbraw/zinc/51/84/78/472518478.db2.gz WFKFQNUAQQLMAD-INIZCTEOSA-N 0 0 338.455 2.879 50 0 EFAARN O=C([C@H](O)C1CCCCC1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000077386962 472518697 /nfs/dbraw/zinc/51/86/97/472518697.db2.gz BEEIVNOAAAALKT-GOSISDBHSA-N 0 0 334.435 2.806 50 0 EFAARN Cc1ccnn1CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000077386925 472518707 /nfs/dbraw/zinc/51/87/07/472518707.db2.gz PBTBURYKYCNZJW-HNNXBMFYSA-N 0 0 331.391 2.648 50 0 EFAARN Cc1ccn(CC(=O)N2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)n1 ZINC000077387743 472518888 /nfs/dbraw/zinc/51/88/88/472518888.db2.gz FVTRUQPXIHBQJR-OAHLLOKOSA-N 0 0 337.427 2.782 50 0 EFAARN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CCn1cnnn1 ZINC000077392531 472519553 /nfs/dbraw/zinc/51/95/53/472519553.db2.gz NSYBBFXFYBECIJ-UHFFFAOYSA-N 0 0 337.383 2.514 50 0 EFAARN CC(C)Cc1cc(-c2nccn2Cc2noc([C@H]3CCCO3)n2)n[nH]1 ZINC000077392611 472519743 /nfs/dbraw/zinc/51/97/43/472519743.db2.gz YMSXBVOSAQITOO-CQSZACIVSA-N 0 0 342.403 2.755 50 0 EFAARN CC(=O)N[C@@H]1CN(C(=O)CCCC(=O)c2ccccc2)C[C@H]1C(C)C ZINC000077408464 472521706 /nfs/dbraw/zinc/52/17/06/472521706.db2.gz CXGKQGGVJHBJIB-ZWKOTPCHSA-N 0 0 344.455 2.659 50 0 EFAARN CCOC(=O)c1coc(N(C)Cc2cccc(-n3cccn3)c2)n1 ZINC000077406852 472522703 /nfs/dbraw/zinc/52/27/03/472522703.db2.gz CQXYZGOFVSVGCY-UHFFFAOYSA-N 0 0 326.356 2.673 50 0 EFAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCc2ncccc2C1 ZINC000077407973 472522806 /nfs/dbraw/zinc/52/28/06/472522806.db2.gz FUCVRGZXXCPKSZ-UHFFFAOYSA-N 0 0 334.379 2.649 50 0 EFAARN CCCCN1C[C@]2(CCCN(c3ncnc4c3CCC4)C2)CCC1=O ZINC000077406995 472522974 /nfs/dbraw/zinc/52/29/74/472522974.db2.gz IBNUWTKDTUMKKP-FQEVSTJZSA-N 0 0 342.487 2.974 50 0 EFAARN O=C(Cc1cccc(O)c1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077422362 472524424 /nfs/dbraw/zinc/52/44/24/472524424.db2.gz RSANUXXLYUZFBI-FQEVSTJZSA-N 0 0 339.435 2.777 50 0 EFAARN CCn1nccc1C(=O)N1CCC(Oc2ccccc2OC)CC1 ZINC000077421020 472524449 /nfs/dbraw/zinc/52/44/49/472524449.db2.gz MLPRFDFMPSJXNS-UHFFFAOYSA-N 0 0 329.400 2.595 50 0 EFAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1nccn1Cc1ccccc1 ZINC000077421872 472524654 /nfs/dbraw/zinc/52/46/54/472524654.db2.gz ANTXFTCZVVXSKU-GOSISDBHSA-N 0 0 340.471 2.764 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H](c2ccccc2F)C1 ZINC000077419616 472524823 /nfs/dbraw/zinc/52/48/23/472524823.db2.gz WAYOKMSRUFTGOP-ZDUSSCGKSA-N 0 0 340.354 2.750 50 0 EFAARN CC(C)c1cc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)no1 ZINC000077424496 472525738 /nfs/dbraw/zinc/52/57/38/472525738.db2.gz MSBKWOBHAGGDSB-UHFFFAOYSA-N 0 0 340.383 2.902 50 0 EFAARN Cn1ccnc1C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)no2)C1 ZINC000077436899 472526421 /nfs/dbraw/zinc/52/64/21/472526421.db2.gz XZFPLYYEXQBXBE-AWEZNQCLSA-N 0 0 337.383 2.569 50 0 EFAARN Cc1cc([C@@H]2CCCN2C(=O)c2cnn(-c3ccccn3)c2C)no1 ZINC000046197952 472526703 /nfs/dbraw/zinc/52/67/03/472526703.db2.gz XEAGALJEMSVWKY-INIZCTEOSA-N 0 0 337.383 2.849 50 0 EFAARN Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)Cc3cnccn3)cc2)n1 ZINC000077437597 472526980 /nfs/dbraw/zinc/52/69/80/472526980.db2.gz IWACIZLJZFOTBF-CYBMUJFWSA-N 0 0 335.411 2.640 50 0 EFAARN C[NH+]1CCC(OCCCn2ccnc2-c2ccccc2C(=O)[O-])CC1 ZINC000077438146 472526990 /nfs/dbraw/zinc/52/69/90/472526990.db2.gz KUMHNULXRMOJRN-UHFFFAOYSA-N 0 0 343.427 2.749 50 0 EFAARN COc1cccc(CC(=O)NC[C@](O)(c2ccccc2)C2CC2)c1 ZINC000070966315 472529297 /nfs/dbraw/zinc/52/92/97/472529297.db2.gz NRNSJFOTFWMPCK-FQEVSTJZSA-N 0 0 325.408 2.652 50 0 EFAARN CC(C)n1cc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)cn1 ZINC000077456652 472529994 /nfs/dbraw/zinc/52/99/94/472529994.db2.gz RDGDGTLINMVPEU-KRWDZBQOSA-N 0 0 338.415 2.617 50 0 EFAARN Cn1cnc2cc(OC(=O)c3cncc(Br)c3)ccc21 ZINC000070974070 472530336 /nfs/dbraw/zinc/53/03/36/472530336.db2.gz XBERNBOGMXCLTB-UHFFFAOYSA-N 0 0 332.157 2.950 50 0 EFAARN CNc1nc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)cs1 ZINC000077453462 472530607 /nfs/dbraw/zinc/53/06/07/472530607.db2.gz CXNWOPIQGQFMNZ-UHFFFAOYSA-N 0 0 327.413 2.643 50 0 EFAARN CC(=O)c1ccc(C(=O)N2CCCN(Cc3cccnc3)CC2)s1 ZINC000077459718 472531173 /nfs/dbraw/zinc/53/11/73/472531173.db2.gz CUFZAAXBWREKPI-UHFFFAOYSA-N 0 0 343.452 2.694 50 0 EFAARN COc1ccc(Cl)cc1NC(=O)N1CC2(C1)COC(C)(C)OC2 ZINC000070972037 472531172 /nfs/dbraw/zinc/53/11/72/472531172.db2.gz SHOOTJXRLPUFRY-UHFFFAOYSA-N 0 0 340.807 2.965 50 0 EFAARN CC(=O)c1ccc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)nc1 ZINC000077471306 472532123 /nfs/dbraw/zinc/53/21/23/472532123.db2.gz QTMPKWNQKDTEGW-IBGZPJMESA-N 0 0 329.444 2.902 50 0 EFAARN Cc1nc2ccccc2nc1CN1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000077485643 472535805 /nfs/dbraw/zinc/53/58/05/472535805.db2.gz SWLFBWCEJKYXKL-HNNXBMFYSA-N 0 0 326.444 2.627 50 0 EFAARN Cn1cc(S(=O)(=O)N2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000077487226 472536057 /nfs/dbraw/zinc/53/60/57/472536057.db2.gz OGTRRCFUUZAFEB-CYBMUJFWSA-N 0 0 339.486 2.658 50 0 EFAARN COc1ccccc1OC1CCN(C(=O)CCCn2cccn2)CC1 ZINC000077485978 472536098 /nfs/dbraw/zinc/53/60/98/472536098.db2.gz WOXGCVWCCROEQD-UHFFFAOYSA-N 0 0 343.427 2.742 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)[C@H](C)C1 ZINC000077487244 472536841 /nfs/dbraw/zinc/53/68/41/472536841.db2.gz DBHHLCZSUIJRCV-CQSZACIVSA-N 0 0 336.395 2.882 50 0 EFAARN COc1ccc(OC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 ZINC000077489859 472537102 /nfs/dbraw/zinc/53/71/02/472537102.db2.gz VVKYXKHTTKCCTO-QGZVFWFLSA-N 0 0 340.423 2.950 50 0 EFAARN O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-n2cccn2)c1 ZINC000077488101 472537701 /nfs/dbraw/zinc/53/77/01/472537701.db2.gz RNVDUBNJGKNPKM-OAHLLOKOSA-N 0 0 341.436 2.515 50 0 EFAARN CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccccn3)CC2)OC1=O ZINC000077488293 472537730 /nfs/dbraw/zinc/53/77/30/472537730.db2.gz TZLFQBXYBNQKQF-CQSZACIVSA-N 0 0 331.416 2.697 50 0 EFAARN COC(=O)CCCC(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000077505145 472540496 /nfs/dbraw/zinc/54/04/96/472540496.db2.gz WXAXYZVDHXKNKU-HNNXBMFYSA-N 0 0 329.400 2.878 50 0 EFAARN Cc1nc([C@H]2CCCN(c3noc(-c4ccccc4)n3)C2)cc(=O)[nH]1 ZINC000077505002 472540769 /nfs/dbraw/zinc/54/07/69/472540769.db2.gz WWVWTHOCGWTMCZ-AWEZNQCLSA-N 0 0 337.383 2.512 50 0 EFAARN CCCCCCN1CC2(CCN(C(=O)c3[nH]cnc3C)CC2)OC1=O ZINC000077505561 472541339 /nfs/dbraw/zinc/54/13/39/472541339.db2.gz ZKAIWVCHBCPONV-UHFFFAOYSA-N 0 0 348.447 2.725 50 0 EFAARN O=C([C@@H](O)c1ccc(F)cc1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000077505825 472542620 /nfs/dbraw/zinc/54/26/20/472542620.db2.gz HVBSKYMXXVTLPC-SFHVURJKSA-N 0 0 346.377 2.737 50 0 EFAARN Cc1ccccc1N1CCN(C(=O)Cn2cc(Cl)cn2)[C@H](C)C1 ZINC000077516786 472545140 /nfs/dbraw/zinc/54/51/40/472545140.db2.gz DTMPZULNRJGKEU-CQSZACIVSA-N 0 0 332.835 2.582 50 0 EFAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(S(C)(=O)=O)cc1 ZINC000071280746 472545451 /nfs/dbraw/zinc/54/54/51/472545451.db2.gz YAZXAYBECPLKTH-ZDUSSCGKSA-N 0 0 333.413 2.991 50 0 EFAARN CN(Cc1nc(-c2ccncc2)no1)Cc1ccc(-n2ccnc2)cc1 ZINC000077522952 472545983 /nfs/dbraw/zinc/54/59/83/472545983.db2.gz BYTYRRCMSJKCSB-UHFFFAOYSA-N 0 0 346.394 2.949 50 0 EFAARN Cc1cc(=O)c(O)c(CN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000071279155 472546563 /nfs/dbraw/zinc/54/65/63/472546563.db2.gz CYZDOEBHDOBBCZ-UHFFFAOYSA-N 0 0 334.803 2.629 50 0 EFAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000071279182 472546771 /nfs/dbraw/zinc/54/67/71/472546771.db2.gz JMWHKQKRUAWMQI-NSHDSACASA-N 0 0 331.372 2.898 50 0 EFAARN Cc1nnnn1-c1cccc(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000071287177 472547171 /nfs/dbraw/zinc/54/71/71/472547171.db2.gz XYMHNPOSEKYSIP-UHFFFAOYSA-N 0 0 327.775 2.554 50 0 EFAARN COc1cc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc(OC)c1O ZINC000071283736 472547401 /nfs/dbraw/zinc/54/74/01/472547401.db2.gz YSEGCZIBVVYBKD-SNVBAGLBSA-N 0 0 347.371 2.604 50 0 EFAARN COC(=O)c1cn(C(C)C)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 ZINC000101714727 472550078 /nfs/dbraw/zinc/55/00/78/472550078.db2.gz VTINUUNDIUMLIS-UHFFFAOYSA-N 0 0 341.367 2.515 50 0 EFAARN Cc1noc2ncnc(N3CCC(OCc4cccnc4)CC3)c12 ZINC000077539569 472550463 /nfs/dbraw/zinc/55/04/63/472550463.db2.gz ANAINQHKELCUQQ-UHFFFAOYSA-N 0 0 325.372 2.507 50 0 EFAARN CCNc1ncc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)cn1 ZINC000077537207 472550719 /nfs/dbraw/zinc/55/07/19/472550719.db2.gz VSHZXZGTALSEIE-OAHLLOKOSA-N 0 0 339.443 2.507 50 0 EFAARN COc1ccc2cc([C@H]3CN(CC(=O)NC4CC4)CCO3)ccc2c1 ZINC000071422427 472551580 /nfs/dbraw/zinc/55/15/80/472551580.db2.gz ZYPWICRDGAEGOL-LJQANCHMSA-N 0 0 340.423 2.500 50 0 EFAARN COCc1noc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 ZINC000077542344 472551558 /nfs/dbraw/zinc/55/15/58/472551558.db2.gz FBHOMZXSHNAROV-ZDUSSCGKSA-N 0 0 341.371 2.603 50 0 EFAARN Cc1ccc(-c2ccnc(N[C@@H](C)c3nnc(N)s3)n2)c(C)n1 ZINC000071589602 472553152 /nfs/dbraw/zinc/55/31/52/472553152.db2.gz DXMZUFMEZIEJMT-JTQLQIEISA-N 0 0 327.417 2.762 50 0 EFAARN CC1=CC[C@@H]2CN(C(=O)CCNC(=O)c3ccccc3F)C[C@@H]2C1 ZINC000071708142 472556103 /nfs/dbraw/zinc/55/61/03/472556103.db2.gz GWBDGCJEIRJFTH-CABCVRRESA-N 0 0 330.403 2.760 50 0 EFAARN CC=CCc1nnc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)o1 ZINC000071738580 472556430 /nfs/dbraw/zinc/55/64/30/472556430.db2.gz GUBYQJORRVZTSS-ONEGZZNKSA-N 0 0 343.412 2.912 50 0 EFAARN Cc1nc2ccccc2n1CCC(=O)N1CCC2(CCCO2)CC1 ZINC000071738609 472557136 /nfs/dbraw/zinc/55/71/36/472557136.db2.gz BBRLGFVHUDRCPS-UHFFFAOYSA-N 0 0 327.428 2.906 50 0 EFAARN COc1c(C)cc(C(=O)[C@H]2CCCN(c3cc(N)ncn3)C2)cc1C ZINC000071750992 472557855 /nfs/dbraw/zinc/55/78/55/472557855.db2.gz NDKNDKOXJANASV-AWEZNQCLSA-N 0 0 340.427 2.784 50 0 EFAARN CCCn1ccnc1-c1nccn1Cc1ccccc1-n1cncn1 ZINC000071748125 472558396 /nfs/dbraw/zinc/55/83/96/472558396.db2.gz UYVWAAOICDCXTJ-UHFFFAOYSA-N 0 0 333.399 2.786 50 0 EFAARN CN(CCC(C)(C)O)C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000071749769 472558411 /nfs/dbraw/zinc/55/84/11/472558411.db2.gz 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329.849 2.838 50 0 EFAARN Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 ZINC000390830394 476802020 /nfs/dbraw/zinc/80/20/20/476802020.db2.gz KUPJWUYBWKDFJA-CYBMUJFWSA-N 0 0 345.424 2.822 50 0 EFAARN O=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1cccnc1 ZINC000390828186 476802068 /nfs/dbraw/zinc/80/20/68/476802068.db2.gz AGCFKBKAYOPJRD-UHFFFAOYSA-N 0 0 334.422 2.924 50 0 EFAARN CCn1nccc1-c1nc(C2CCN(C(=O)c3ccoc3)CC2)no1 ZINC000390828101 476802280 /nfs/dbraw/zinc/80/22/80/476802280.db2.gz OQUGFVXXJBOKPS-UHFFFAOYSA-N 0 0 341.371 2.566 50 0 EFAARN Cn1ccc([C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n1 ZINC000390828880 476802354 /nfs/dbraw/zinc/80/23/54/476802354.db2.gz CBCYPVRXYWWOOO-AWEZNQCLSA-N 0 0 337.379 2.546 50 0 EFAARN CN1c2ccc(NC(=O)OCc3ccccc3)cc2N(C)S1(=O)=O ZINC000390829250 476802370 /nfs/dbraw/zinc/80/23/70/476802370.db2.gz XUGFRXJYMPRWDR-UHFFFAOYSA-N 0 0 347.396 2.566 50 0 EFAARN N#Cc1ccccc1NC(=O)C(=O)NCCCc1cc2ccccc2o1 ZINC000390831704 476802892 /nfs/dbraw/zinc/80/28/92/476802892.db2.gz 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CC[C@H](Cn1ccnc1)NC(=O)Nc1cc2c(cc1C)OCCO2 ZINC000426518671 477711822 /nfs/dbraw/zinc/71/18/22/477711822.db2.gz DPPHQXOSOFERNF-CYBMUJFWSA-N 0 0 330.388 2.563 50 0 EFAARN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cn1ccccc1=O ZINC000426534035 477717424 /nfs/dbraw/zinc/71/74/24/477717424.db2.gz JMUQJEZJHLIFRH-OAHLLOKOSA-N 0 0 326.396 2.575 50 0 EFAARN O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000426596421 477723633 /nfs/dbraw/zinc/72/36/33/477723633.db2.gz BVDRMOJGRQCIDO-SHTZXODSSA-N 0 0 336.407 2.682 50 0 EFAARN Cc1cccc2[nH]c(C3CCN(C(=O)NCc4ccon4)CC3)nc21 ZINC000426624865 477728203 /nfs/dbraw/zinc/72/82/03/477728203.db2.gz UFJUCKBFMJWZBD-UHFFFAOYSA-N 0 0 339.399 2.949 50 0 EFAARN O=C(NCc1cn2c(n1)SCC2)N1CCCC[C@H]1c1cccnc1 ZINC000426622918 477728212 /nfs/dbraw/zinc/72/82/12/477728212.db2.gz KAXRWOZDGAJRTA-HNNXBMFYSA-N 0 0 343.456 2.821 50 0 EFAARN CC(C)(NC(=O)c1csc(-c2ccccc2)n1)c1nnc(N)s1 ZINC000426623026 477728272 /nfs/dbraw/zinc/72/82/72/477728272.db2.gz QAHQDWVNBDXZCW-UHFFFAOYSA-N 0 0 345.453 2.909 50 0 EFAARN O=C(NCc1[nH]nc2c1CCC2)N1CCOc2ccc(Cl)cc2C1 ZINC000426632896 477729016 /nfs/dbraw/zinc/72/90/16/477729016.db2.gz PADOJHGDNUFRFY-UHFFFAOYSA-N 0 0 346.818 2.656 50 0 EFAARN NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)C1 ZINC000426640351 477730925 /nfs/dbraw/zinc/73/09/25/477730925.db2.gz FIZHFAFTYFZRTG-OAHLLOKOSA-N 0 0 348.406 2.567 50 0 EFAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccccc1-c1nccn1C ZINC000426658411 477733500 /nfs/dbraw/zinc/73/35/00/477733500.db2.gz OPEVFPQCJRDCLZ-UHFFFAOYSA-N 0 0 337.427 2.742 50 0 EFAARN CC1(CNC(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)COC1 ZINC000426653025 477733856 /nfs/dbraw/zinc/73/38/56/477733856.db2.gz WCQHKJJVHYIWOC-MRXNPFEDSA-N 0 0 332.444 2.925 50 0 EFAARN CN(Cc1[nH]nc2c1CCC2)C(=O)c1ccc(-c2nccn2C)cc1 ZINC000426662514 477734279 /nfs/dbraw/zinc/73/42/79/477734279.db2.gz VJUHNNLMUIRMKP-UHFFFAOYSA-N 0 0 335.411 2.571 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2cnc3ccccc3n2)n1 ZINC000426652965 477734323 /nfs/dbraw/zinc/73/43/23/477734323.db2.gz PGXHJOYOZCXUCK-CQSZACIVSA-N 0 0 335.411 2.869 50 0 EFAARN Cc1ccc2cc(C(=O)NC3(C(N)=O)CCCCCC3)n(C)c2c1 ZINC000426669160 477735386 /nfs/dbraw/zinc/73/53/86/477735386.db2.gz SJYZNGMOYSZIMC-UHFFFAOYSA-N 0 0 327.428 2.795 50 0 EFAARN Cc1ccc([C@]2(C(=O)NCCSc3nc[nH]n3)CC2(C)C)cc1 ZINC000426674164 477735752 /nfs/dbraw/zinc/73/57/52/477735752.db2.gz IVCDMOTZCWBCKQ-KRWDZBQOSA-N 0 0 330.457 2.689 50 0 EFAARN O=C(NC(C1CC1)C1CC1)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000426667286 477735958 /nfs/dbraw/zinc/73/59/58/477735958.db2.gz AATZVWNZTCXPBM-QGZVFWFLSA-N 0 0 329.444 2.961 50 0 EFAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)CCC(=O)c3ccccc3)[C@H]2C1 ZINC000426690203 477738181 /nfs/dbraw/zinc/73/81/81/477738181.db2.gz APXUDBAMEBINTC-XKGZKEIXSA-N 0 0 345.439 2.835 50 0 EFAARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CCN(Cc2cccs2)CC1 ZINC000426690264 477738440 /nfs/dbraw/zinc/73/84/40/477738440.db2.gz ITSPJICNQBMZLP-GFCCVEGCSA-N 0 0 347.488 2.676 50 0 EFAARN COc1cc2c(cc1CNC(=O)[C@@H]1CCc3ccccc31)OCCO2 ZINC000426690327 477738880 /nfs/dbraw/zinc/73/88/80/477738880.db2.gz QLRTUMUZHXCQIH-MRXNPFEDSA-N 0 0 339.391 2.813 50 0 EFAARN CCN(C(=O)c1cccc(-c2ccc(C)nc2C)c1)[C@H](C)C(N)=O ZINC000426697323 477739021 /nfs/dbraw/zinc/73/90/21/477739021.db2.gz KTGHOSKWRWHZEH-CQSZACIVSA-N 0 0 325.412 2.701 50 0 EFAARN CCCO[C@@H]1CCCN(C(=O)NCc2cccc(-n3cccn3)c2)C1 ZINC000426690489 477739157 /nfs/dbraw/zinc/73/91/57/477739157.db2.gz AMWQTEJSUMFBSV-GOSISDBHSA-N 0 0 342.443 2.973 50 0 EFAARN Cc1nccn1CCCNC(=O)N1CCCC[C@H]1c1ccccn1 ZINC000426691100 477739287 /nfs/dbraw/zinc/73/92/87/477739287.db2.gz ADQPOZGNTOGJCX-KRWDZBQOSA-N 0 0 327.432 2.913 50 0 EFAARN Cc1ccc([C@]2(C(=O)NCCN3CCCOC3=O)CC2(C)C)cc1 ZINC000426700105 477740163 /nfs/dbraw/zinc/74/01/63/477740163.db2.gz WFIDYKCCLXAEBW-IBGZPJMESA-N 0 0 330.428 2.621 50 0 EFAARN CCc1nnc(CNC(=O)Nc2cc3nc[nH]c3c(C)c2C)s1 ZINC000426724046 477743450 /nfs/dbraw/zinc/74/34/50/477743450.db2.gz UPQKSZYYSRBEEA-UHFFFAOYSA-N 0 0 330.417 2.915 50 0 EFAARN Nc1ccnc(-c2ccc(C(=O)NCCCOC3CCCC3)cc2)n1 ZINC000534575290 478158044 /nfs/dbraw/zinc/15/80/44/478158044.db2.gz DHQXJFSGEQSOJN-UHFFFAOYSA-N 0 0 340.427 2.635 50 0 EFAARN CCn1nc(CNC(=O)NCC2(O)CCCCC2)c2ccccc21 ZINC000534583099 478158537 /nfs/dbraw/zinc/15/85/37/478158537.db2.gz LPLKMIZULDDORB-UHFFFAOYSA-N 0 0 330.432 2.551 50 0 EFAARN COC[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000534582611 478158848 /nfs/dbraw/zinc/15/88/48/478158848.db2.gz KNMDGTYLPBWTHA-MRXNPFEDSA-N 0 0 330.359 2.688 50 0 EFAARN CCCC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)CCC1 ZINC000534578964 478159296 /nfs/dbraw/zinc/15/92/96/478159296.db2.gz MYFVXMANSFXUSF-MRXNPFEDSA-N 0 0 347.434 2.979 50 0 EFAARN Cc1cccc2oc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)nc21 ZINC000534578892 478159767 /nfs/dbraw/zinc/15/97/67/478159767.db2.gz KVCRBZHENDMXJP-GFCCVEGCSA-N 0 0 328.368 2.628 50 0 EFAARN COCCN(Cc1ccsc1)C(=O)NCc1nccn1C(C)C ZINC000534577725 478159867 /nfs/dbraw/zinc/15/98/67/478159867.db2.gz JVLWDGNTLBZZMR-UHFFFAOYSA-N 0 0 336.461 2.884 50 0 EFAARN O=C(N[C@H]1CCOC1)c1cccc(-c2ccc(Cn3ccnc3)cn2)c1 ZINC000534578199 478159887 /nfs/dbraw/zinc/15/98/87/478159887.db2.gz DKGYSCQRTSUWCV-SFHVURJKSA-N 0 0 348.406 2.512 50 0 EFAARN COc1ccc2c(c1)[C@@H](NC(=O)c1cnc(N)s1)CC(C)(C)O2 ZINC000534583445 478159913 /nfs/dbraw/zinc/15/99/13/478159913.db2.gz LPAIOWKWKJXHBI-NSHDSACASA-N 0 0 333.413 2.766 50 0 EFAARN O=C(N[C@@H]1CCOC1)c1cccc(-c2ccc(Cn3ccnc3)cn2)c1 ZINC000534578197 478160242 /nfs/dbraw/zinc/16/02/42/478160242.db2.gz DKGYSCQRTSUWCV-GOSISDBHSA-N 0 0 348.406 2.512 50 0 EFAARN CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2nccc(N)n2)cc1 ZINC000534590193 478160538 /nfs/dbraw/zinc/16/05/38/478160538.db2.gz CIVUQTWBLSQHIZ-INIZCTEOSA-N 0 0 340.427 2.587 50 0 EFAARN Cc1ccc(N[C@](C)(C(=O)NCCn2cncn2)c2ccccc2)cc1 ZINC000534589488 478161220 /nfs/dbraw/zinc/16/12/20/478161220.db2.gz BNFIGXXMPXJEAO-FQEVSTJZSA-N 0 0 349.438 2.730 50 0 EFAARN CC[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccnc1 ZINC000534592710 478162503 /nfs/dbraw/zinc/16/25/03/478162503.db2.gz WUGCKDJIASUGIM-QGZVFWFLSA-N 0 0 331.460 2.684 50 0 EFAARN CCc1nc(C)c(CNC(=O)c2cc(C)n3nc(C)cc3n2)s1 ZINC000534593361 478162593 /nfs/dbraw/zinc/16/25/93/478162593.db2.gz OVAQESGYEGKGKU-UHFFFAOYSA-N 0 0 329.429 2.603 50 0 EFAARN Cc1ccc(OC[C@H](C)NC(=O)N(C)Cc2[nH]nc3c2CCC3)cc1 ZINC000534593309 478162739 /nfs/dbraw/zinc/16/27/39/478162739.db2.gz LIPQTLNYKFVRBY-AWEZNQCLSA-N 0 0 342.443 2.816 50 0 EFAARN CCCC[C@@H]1C=CCN1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000534636367 478163302 /nfs/dbraw/zinc/16/33/02/478163302.db2.gz KHPZMAMJRYUAQK-OAHLLOKOSA-N 0 0 326.404 2.507 50 0 EFAARN COc1nc(-c2ccc(C(=O)NCCCSC)cc2)ncc1F ZINC000534632365 478163860 /nfs/dbraw/zinc/16/38/60/478163860.db2.gz IALQEDSWWYHXQJ-UHFFFAOYSA-N 0 0 335.404 2.774 50 0 EFAARN CCc1ccccc1OC1CN(C(=O)NCc2ccnc(C)c2)C1 ZINC000534639203 478164278 /nfs/dbraw/zinc/16/42/78/478164278.db2.gz PDFGACKEGGZZOH-UHFFFAOYSA-N 0 0 325.412 2.925 50 0 EFAARN Cc1nc(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)no1 ZINC000534638291 478164650 /nfs/dbraw/zinc/16/46/50/478164650.db2.gz JMKXGGMXFJMUBR-UHFFFAOYSA-N 0 0 325.372 2.734 50 0 EFAARN O=C(NCCCn1cccc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000534637797 478164703 /nfs/dbraw/zinc/16/47/03/478164703.db2.gz MYUTYGFDSQAUHG-UHFFFAOYSA-N 0 0 344.434 2.545 50 0 EFAARN Cc1c[nH]c([C@H](C)NS(=O)(=O)c2cc(C)cc3cccnc32)n1 ZINC000534648622 478165616 /nfs/dbraw/zinc/16/56/16/478165616.db2.gz JOCKEOCHIFSSDJ-LBPRGKRZSA-N 0 0 330.413 2.614 50 0 EFAARN CCCO[C@H]1CCCN(C(=O)c2ccc(-c3nccc(N)n3)cc2)C1 ZINC000534648712 478165724 /nfs/dbraw/zinc/16/57/24/478165724.db2.gz JIMBPGGCKZLPIM-INIZCTEOSA-N 0 0 340.427 2.587 50 0 EFAARN Cc1cccc(OC2CN(C(=O)NCc3nc(C(C)(C)C)no3)C2)c1 ZINC000534648702 478165929 /nfs/dbraw/zinc/16/59/29/478165929.db2.gz ZUEYQQSRIYIWBQ-UHFFFAOYSA-N 0 0 344.415 2.648 50 0 EFAARN CC(C)n1ccnc1CNC(=O)N1CCN(c2ccccc2F)CC1 ZINC000534647969 478166011 /nfs/dbraw/zinc/16/60/11/478166011.db2.gz RTBAPCQWHOMIRR-UHFFFAOYSA-N 0 0 345.422 2.635 50 0 EFAARN C[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2ncon2)CC1 ZINC000534648637 478166197 /nfs/dbraw/zinc/16/61/97/478166197.db2.gz HOYMJBVGSWRYSP-AWEZNQCLSA-N 0 0 328.416 2.980 50 0 EFAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)NCC2(Cn3ccnc3)CC2)c1 ZINC000534653381 478166438 /nfs/dbraw/zinc/16/64/38/478166438.db2.gz MAGWHBPKGQQZJG-MRXNPFEDSA-N 0 0 341.459 2.639 50 0 EFAARN CC[C@H](NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1)c1ccnn1C ZINC000534655882 478166809 /nfs/dbraw/zinc/16/68/09/478166809.db2.gz TXSMHZZGAMTBTO-INIZCTEOSA-N 0 0 344.463 2.596 50 0 EFAARN CCCn1ccnc1CNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000534656902 478167247 /nfs/dbraw/zinc/16/72/47/478167247.db2.gz XTORPAFVIKYNNT-UHFFFAOYSA-N 0 0 332.452 2.655 50 0 EFAARN COc1cc2c(cc1CNC(=O)N1CC(c3ccncc3)C1)CCC2 ZINC000534666166 478168489 /nfs/dbraw/zinc/16/84/89/478168489.db2.gz SGDZNPDAOONYIC-UHFFFAOYSA-N 0 0 337.423 2.888 50 0 EFAARN CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000534669116 478168639 /nfs/dbraw/zinc/16/86/39/478168639.db2.gz KVHVBJUJUFNGBP-MRXNPFEDSA-N 0 0 330.359 2.713 50 0 EFAARN Cc1cccc(N2CCC(NCc3noc([C@H]4CCCO4)n3)CC2)c1 ZINC000534673855 478168773 /nfs/dbraw/zinc/16/87/73/478168773.db2.gz FCIWUJOYKXRUPE-QGZVFWFLSA-N 0 0 342.443 2.988 50 0 EFAARN CCCc1nnsc1C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000534667876 478168957 /nfs/dbraw/zinc/16/89/57/478168957.db2.gz CPBITNMQKUWYJN-JTQLQIEISA-N 0 0 329.429 2.868 50 0 EFAARN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000520248269 478289354 /nfs/dbraw/zinc/28/93/54/478289354.db2.gz WYMGVBDMUGTADX-ZDUSSCGKSA-N 0 0 335.450 2.640 50 0 EFAARN COc1ccc(Cc2nc([C@H]3CCOC3)n(-c3ccncc3)n2)cc1 ZINC000584885579 479270822 /nfs/dbraw/zinc/27/08/22/479270822.db2.gz ADDCFVVASKOORA-HNNXBMFYSA-N 0 0 336.395 2.766 50 0 EFAARN COc1ccc(Cc2nc([C@@H]3CCOC3)n(-c3ccncc3)n2)cc1 ZINC000584885580 479270836 /nfs/dbraw/zinc/27/08/36/479270836.db2.gz ADDCFVVASKOORA-OAHLLOKOSA-N 0 0 336.395 2.766 50 0 EFAARN O=C(NCCCn1cc(Cl)cn1)N1CC[C@H](Oc2ccccc2)C1 ZINC000584885991 479270873 /nfs/dbraw/zinc/27/08/73/479270873.db2.gz SBTZSNUKKHDILW-INIZCTEOSA-N 0 0 348.834 2.790 50 0 EFAARN O=C(N[C@H]1CCc2ccccc2C1)c1cccc(N2CCNC2=O)c1 ZINC000584886954 479271055 /nfs/dbraw/zinc/27/10/55/479271055.db2.gz CJHUTJGYMWMBGZ-KRWDZBQOSA-N 0 0 335.407 2.504 50 0 EFAARN Cc1ccc(CN2CCN(C(=O)[C@@H]3CC34CCC4)CC2=O)cc1C ZINC000584887808 479271071 /nfs/dbraw/zinc/27/10/71/479271071.db2.gz KTNFLKQUHFEZNO-KRWDZBQOSA-N 0 0 326.440 2.664 50 0 EFAARN O=C(NCc1cc(COc2ccccc2)cs1)N1CCC(O)CC1 ZINC000584887709 479271413 /nfs/dbraw/zinc/27/14/13/479271413.db2.gz CUBNAFNAKUZQDI-UHFFFAOYSA-N 0 0 346.452 2.993 50 0 EFAARN C[C@H](NC(=O)N1CCC2(COC(=O)O2)CC1)c1ccc(F)cc1F ZINC000584888616 479272438 /nfs/dbraw/zinc/27/24/38/479272438.db2.gz BXKPFPPSALFHNI-JTQLQIEISA-N 0 0 340.326 2.737 50 0 EFAARN CC(C)Cc1cc(C(=O)N(C)Cc2cc(C3CC3)on2)[nH]c(=O)n1 ZINC000584889695 479272701 /nfs/dbraw/zinc/27/27/01/479272701.db2.gz IUPYOOBDGZESKQ-UHFFFAOYSA-N 0 0 330.388 2.518 50 0 EFAARN Cc1c[nH]c(CN(C)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000584889895 479272716 /nfs/dbraw/zinc/27/27/16/479272716.db2.gz WWWGVGGWWWHLRS-AWEZNQCLSA-N 0 0 345.422 2.525 50 0 EFAARN O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cccc2cc[nH]c21 ZINC000584888701 479273435 /nfs/dbraw/zinc/27/34/35/479273435.db2.gz QUDCKRBJVUWZLB-UHFFFAOYSA-N 0 0 340.427 2.578 50 0 EFAARN CCCCCc1nc(-c2csc(C)n2)n(C[C@@H]2COCCO2)n1 ZINC000584895585 479273710 /nfs/dbraw/zinc/27/37/10/479273710.db2.gz KBKYMIWVPFFRGF-CYBMUJFWSA-N 0 0 336.461 2.858 50 0 EFAARN COCc1cc(Cn2cnc3c(Cl)ccc(Cl)c3c2=O)[nH]n1 ZINC000584893802 479273811 /nfs/dbraw/zinc/27/38/11/479273811.db2.gz ZLYJPHBOXQNLEN-UHFFFAOYSA-N 0 0 339.182 2.621 50 0 EFAARN COCCCCN1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC000584895495 479273834 /nfs/dbraw/zinc/27/38/34/479273834.db2.gz YPJNPUBCXRJGCY-UHFFFAOYSA-N 0 0 328.815 2.664 50 0 EFAARN Cc1cccc2[nH]c(CNC(=O)N3CCC4(CCCO4)CC3)nc21 ZINC000584896507 479273850 /nfs/dbraw/zinc/27/38/50/479273850.db2.gz VDMQUXWTURKEGV-UHFFFAOYSA-N 0 0 328.416 2.726 50 0 EFAARN O=C(CCC(=O)N1CCC[C@@H](CCCO)C1)NC1CCCCCC1 ZINC000584894847 479273978 /nfs/dbraw/zinc/27/39/78/479273978.db2.gz DOIVZTYMGGFSPX-INIZCTEOSA-N 0 0 338.492 2.617 50 0 EFAARN CC[C@@H](NC(=O)Cc1cc(C)ccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000584893556 479274001 /nfs/dbraw/zinc/27/40/01/479274001.db2.gz BOOUKNSSVVWRKP-QGZVFWFLSA-N 0 0 346.452 2.604 50 0 EFAARN CN(CC[C@@H](O)c1ccccc1)C(=O)NCc1cnc2c(c1)CCC2 ZINC000584893099 479274390 /nfs/dbraw/zinc/27/43/90/479274390.db2.gz FUSLVBPJGSOMFT-LJQANCHMSA-N 0 0 339.439 2.835 50 0 EFAARN Cc1nnc(SCC(=O)N(C)Cc2ccnc3ccccc23)o1 ZINC000584895429 479274440 /nfs/dbraw/zinc/27/44/40/479274440.db2.gz FUFXSBZJHFYANV-UHFFFAOYSA-N 0 0 328.397 2.677 50 0 EFAARN Cc1ncsc1C(=O)N[C@@H](CCn1cncn1)c1ccccc1 ZINC000584895420 479274664 /nfs/dbraw/zinc/27/46/64/479274664.db2.gz SHTADODXONHFQE-AWEZNQCLSA-N 0 0 327.413 2.604 50 0 EFAARN CCCCCc1nc(-c2csc(C)n2)n(C[C@H]2COCCO2)n1 ZINC000584895586 479274699 /nfs/dbraw/zinc/27/46/99/479274699.db2.gz KBKYMIWVPFFRGF-ZDUSSCGKSA-N 0 0 336.461 2.858 50 0 EFAARN Cc1nc(-c2ccc(C(=O)NCCCc3ccccn3)cc2)nn1C ZINC000584900003 479275178 /nfs/dbraw/zinc/27/51/78/479275178.db2.gz IEFSJYCHGQCHHM-UHFFFAOYSA-N 0 0 335.411 2.548 50 0 EFAARN CN1C(=O)C[C@@H](C(=O)NCCc2nc3ccccc3o2)c2ccccc21 ZINC000584898955 479275317 /nfs/dbraw/zinc/27/53/17/479275317.db2.gz GAGJABYHSCOGSS-CQSZACIVSA-N 0 0 349.390 2.637 50 0 EFAARN Cc1cc(C)n([C@@H](C)CNC(=O)N2CCC3(CCOCC3)CC2)n1 ZINC000584899458 479275384 /nfs/dbraw/zinc/27/53/84/479275384.db2.gz OXPFJKJZBCBFEA-INIZCTEOSA-N 0 0 334.464 2.663 50 0 EFAARN Cc1cc(C)n(CCCN(C)C(=O)NCc2ccc3[nH]cnc3c2)n1 ZINC000584897929 479275546 /nfs/dbraw/zinc/27/55/46/479275546.db2.gz CYKQZJHYPAEEFM-UHFFFAOYSA-N 0 0 340.431 2.608 50 0 EFAARN CN1CC[C@H](n2cnc3cc(-c4ccccc4)sc3c2=O)C1=O ZINC000584898693 479275595 /nfs/dbraw/zinc/27/55/95/479275595.db2.gz PTVXXWNGOMHUGL-ZDUSSCGKSA-N 0 0 325.393 2.528 50 0 EFAARN COc1cccc(-c2cc(CNC(=O)[C@@]3(C)CC(C)=NO3)on2)c1 ZINC000584902418 479276436 /nfs/dbraw/zinc/27/64/36/479276436.db2.gz XAXFALLHQHTMEI-QGZVFWFLSA-N 0 0 329.356 2.521 50 0 EFAARN Cc1csc(CCCNC(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC000584903805 479276759 /nfs/dbraw/zinc/27/67/59/479276759.db2.gz NNKSEHBYBPIRJZ-UHFFFAOYSA-N 0 0 348.472 2.505 50 0 EFAARN O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCSCC1 ZINC000584901594 479277277 /nfs/dbraw/zinc/27/72/77/479277277.db2.gz XDTPNYUOZVSSDG-ZDUSSCGKSA-N 0 0 339.892 2.925 50 0 EFAARN COC(=O)[C@@H]1CO[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)S1 ZINC000584904310 479277820 /nfs/dbraw/zinc/27/78/20/479277820.db2.gz IDORCFZPNOJAMP-DJUFWWRVSA-N 0 0 330.446 2.622 50 0 EFAARN C[C@@H]1O[C@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)O[C@H]2[C@H]1O ZINC000584904266 479277990 /nfs/dbraw/zinc/27/79/90/479277990.db2.gz GUBBGFQZZOLTHG-BIDUBHPMSA-N 0 0 342.391 2.792 50 0 EFAARN CCCCCCOC(=O)[C@@H]1CN1[C@H](Cc1ccccc1)C(=O)OCC ZINC000584904331 479278140 /nfs/dbraw/zinc/27/81/40/479278140.db2.gz MXCHQFBWHCWGRT-IZKAZRHKSA-N 0 0 347.455 2.969 50 0 EFAARN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cccc2c1CCOC2 ZINC000585132837 479295419 /nfs/dbraw/zinc/29/54/19/479295419.db2.gz ZZCBRQXCIQRGGV-FQEVSTJZSA-N 0 0 336.435 2.741 50 0 EFAARN Cc1cc(C)nc(C2CN(C(=O)c3cc(Cl)cc(F)c3N)C2)n1 ZINC000585134243 479295568 /nfs/dbraw/zinc/29/55/68/479295568.db2.gz JOYHUTUNDZGCPZ-UHFFFAOYSA-N 0 0 334.782 2.708 50 0 EFAARN CC(C)N(C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000585134443 479295727 /nfs/dbraw/zinc/29/57/27/479295727.db2.gz UGYCUSPJVXYZTN-GOSISDBHSA-N 0 0 340.464 2.538 50 0 EFAARN COc1nsc(CNc2ccnc(C3CC3)n2)c1Br ZINC000585132740 479295802 /nfs/dbraw/zinc/29/58/02/479295802.db2.gz RIKFTCCFHGGTAL-UHFFFAOYSA-N 0 0 341.234 3.194 50 0 EFAARN CC(C)(C)OC(=O)Nc1nc(CN2CCC[C@@H](CO)C2)cs1 ZINC000585136356 479296105 /nfs/dbraw/zinc/29/61/05/479296105.db2.gz BPDHUBKJWSFRJP-LLVKDONJSA-N 0 0 327.450 2.694 50 0 EFAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(Cc2ccc(=O)[nH]c2)n1 ZINC000585136598 479296207 /nfs/dbraw/zinc/29/62/07/479296207.db2.gz MMYADQOZYWVYOO-GFCCVEGCSA-N 0 0 346.387 2.833 50 0 EFAARN CCNc1cc(CNC(=O)Nc2cc(F)c(OC)c(F)c2)ccn1 ZINC000585136102 479296400 /nfs/dbraw/zinc/29/64/00/479296400.db2.gz QENHVCKHYMDLIH-UHFFFAOYSA-N 0 0 336.342 3.122 50 0 EFAARN C[C@H]1CCc2c(sc3[nH]c(-c4ccn(C)c(=O)c4)nc(=O)c23)C1 ZINC000585137408 479296484 /nfs/dbraw/zinc/29/64/84/479296484.db2.gz XQVOOBXMKDFVQG-VIFPVBQESA-N 0 0 327.409 2.887 50 0 EFAARN CC(C)n1ncnc1CNc1cc(CO)ccc1Br ZINC000585137245 479296694 /nfs/dbraw/zinc/29/66/94/479296694.db2.gz OFMKGUJUWDYLIA-UHFFFAOYSA-N 0 0 325.210 2.726 50 0 EFAARN Cc1nccc(O[C@H]2CCN(C(=O)c3c(F)cccc3Cl)C2)n1 ZINC000585147193 479300016 /nfs/dbraw/zinc/30/00/16/479300016.db2.gz XKAVWKZKXJQNHA-NSHDSACASA-N 0 0 335.766 2.871 50 0 EFAARN O=c1c(-c2nc(-c3ccsc3)no2)cccn1C[C@@H]1CCCO1 ZINC000585146865 479300022 /nfs/dbraw/zinc/30/00/22/479300022.db2.gz RHDLWXJNFUIXMT-LBPRGKRZSA-N 0 0 329.381 2.806 50 0 EFAARN O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)OC1CCCC1 ZINC000585149223 479300323 /nfs/dbraw/zinc/30/03/23/479300323.db2.gz OMWMTRXLAJHOBC-VIFPVBQESA-N 0 0 332.326 2.572 50 0 EFAARN O=C(NCCn1cc(-c2cccnc2)cn1)c1ccc(F)c(F)c1F ZINC000585148385 479300363 /nfs/dbraw/zinc/30/03/63/479300363.db2.gz OLKSTKLMQOIYMB-UHFFFAOYSA-N 0 0 346.312 2.792 50 0 EFAARN CCOc1ccc(C(=O)NCCn2cc(-c3cccnc3)cn2)cc1 ZINC000585148339 479300396 /nfs/dbraw/zinc/30/03/96/479300396.db2.gz AAECYAOSNHALTC-UHFFFAOYSA-N 0 0 336.395 2.774 50 0 EFAARN Cc1nn(C)c(C)c1C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148093 479300573 /nfs/dbraw/zinc/30/05/73/479300573.db2.gz NXNMWRFABOWILG-INIZCTEOSA-N 0 0 339.395 2.760 50 0 EFAARN Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148096 479300653 /nfs/dbraw/zinc/30/06/53/479300653.db2.gz NXNMWRFABOWILG-MRXNPFEDSA-N 0 0 339.395 2.760 50 0 EFAARN O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 ZINC000585148215 479300872 /nfs/dbraw/zinc/30/08/72/479300872.db2.gz RCHLDRDKCCJCFF-QGZVFWFLSA-N 0 0 343.404 2.959 50 0 EFAARN Cc1cccc(S(=O)(=O)N2CC[C@H](n3cnc4ccccc43)C2)c1 ZINC000585149328 479301049 /nfs/dbraw/zinc/30/10/49/479301049.db2.gz HELAIZGRVUKRNH-HNNXBMFYSA-N 0 0 341.436 2.980 50 0 EFAARN CC[C@H](C(=O)N[C@@H]1CCc2nc(N(C)C)ncc2C1)c1ccccc1 ZINC000585150250 479301230 /nfs/dbraw/zinc/30/12/30/479301230.db2.gz IBEFOTHKPGLSCE-SJORKVTESA-N 0 0 338.455 2.710 50 0 EFAARN O=C(CCc1ccccc1F)NCc1nccnc1-c1ccncc1 ZINC000585150673 479301848 /nfs/dbraw/zinc/30/18/48/479301848.db2.gz XXBIKLVSYQTLLX-UHFFFAOYSA-N 0 0 336.370 2.927 50 0 EFAARN O=C(NCCCc1ccccc1)NCc1nccnc1-c1ccncc1 ZINC000585150666 479302156 /nfs/dbraw/zinc/30/21/56/479302156.db2.gz VBRMEIOFYUAWQU-UHFFFAOYSA-N 0 0 347.422 2.971 50 0 EFAARN CCn1nc(C(=O)Nc2cccc(-c3csc(C)n3)c2)ccc1=O ZINC000585188580 479302887 /nfs/dbraw/zinc/30/28/87/479302887.db2.gz XTRNTWQORAECCI-UHFFFAOYSA-N 0 0 340.408 2.947 50 0 EFAARN O=C(Cc1noc2ccccc12)NCc1nccnc1-c1ccco1 ZINC000575414270 479442056 /nfs/dbraw/zinc/44/20/56/479442056.db2.gz YQIDANAEIDHALE-UHFFFAOYSA-N 0 0 334.335 2.737 50 0 EFAARN COC(=O)[C@H]1CC12CCN(C(=O)c1cc3ccc(OC)cc3[nH]1)CC2 ZINC000575415625 479442561 /nfs/dbraw/zinc/44/25/61/479442561.db2.gz IRBFOBNBBYQIIV-CQSZACIVSA-N 0 0 342.395 2.592 50 0 EFAARN C[C@H](CO)NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000575443940 479446584 /nfs/dbraw/zinc/44/65/84/479446584.db2.gz ABZNJFMFKLHLEJ-GFCCVEGCSA-N 0 0 327.409 2.711 50 0 EFAARN COC[C@@](O)(CNC(=O)c1nc2ccccc2s1)c1ccccc1 ZINC000575608319 479451493 /nfs/dbraw/zinc/45/14/93/479451493.db2.gz SEIPJBVGJOJXCJ-SFHVURJKSA-N 0 0 342.420 2.560 50 0 EFAARN O=C(NCC[C@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 ZINC000575608147 479452178 /nfs/dbraw/zinc/45/21/78/479452178.db2.gz PUMVGSLAKHEEHU-GFCCVEGCSA-N 0 0 333.409 2.763 50 0 EFAARN O=C(CSCc1ccccc1)N1CCC[C@H](Oc2ccncn2)C1 ZINC000575609192 479452619 /nfs/dbraw/zinc/45/26/19/479452619.db2.gz KOIHKLVQFWZYLO-INIZCTEOSA-N 0 0 343.452 2.780 50 0 EFAARN O=C(NCCn1ccnc1-c1cnccn1)c1ccc(F)cc1Cl ZINC000575609758 479452988 /nfs/dbraw/zinc/45/29/88/479452988.db2.gz PJXNUQLUTGZMPR-UHFFFAOYSA-N 0 0 345.765 2.563 50 0 EFAARN O=C(NCc1ccc(-c2ccoc2)o1)C(=O)NCc1ccc(F)cc1 ZINC000575610513 479453168 /nfs/dbraw/zinc/45/31/68/479453168.db2.gz PBYCQOXYSJKNDR-UHFFFAOYSA-N 0 0 342.326 2.611 50 0 EFAARN O=C(Cc1ccccc1Cl)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575611205 479453255 /nfs/dbraw/zinc/45/32/55/479453255.db2.gz CFWRTSWGDCNKQT-AWEZNQCLSA-N 0 0 349.793 2.882 50 0 EFAARN CCOc1ccc(NC(=O)N2CCC[C@@H](Oc3ncccn3)C2)cc1 ZINC000575611186 479453296 /nfs/dbraw/zinc/45/32/96/479453296.db2.gz BPENHRGDWGYNID-MRXNPFEDSA-N 0 0 342.399 2.951 50 0 EFAARN COc1ccc(C(=O)NC[C@H](c2ccsc2)n2cccn2)cc1 ZINC000575612635 479453840 /nfs/dbraw/zinc/45/38/40/479453840.db2.gz BOZHVNNPZDBAFE-MRXNPFEDSA-N 0 0 327.409 2.973 50 0 EFAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccccc1F ZINC000575612328 479454235 /nfs/dbraw/zinc/45/42/35/479454235.db2.gz LKZLYFYOPBYFSU-HXUWFJFHSA-N 0 0 343.398 2.870 50 0 EFAARN COc1ccc(CCC(=O)NC[C@@H](c2ccco2)n2cccn2)cc1 ZINC000575614405 479454828 /nfs/dbraw/zinc/45/48/28/479454828.db2.gz RRWCKAOYMCWISN-KRWDZBQOSA-N 0 0 339.395 2.823 50 0 EFAARN O=C(NCCc1ccccc1)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575613693 479454962 /nfs/dbraw/zinc/45/49/62/479454962.db2.gz SBQCZWNRRIAHTI-GOSISDBHSA-N 0 0 325.412 2.877 50 0 EFAARN O=C(OC1CCOCC1)N1CCC[C@@H](Oc2ccncc2Cl)C1 ZINC000575613706 479455145 /nfs/dbraw/zinc/45/51/45/479455145.db2.gz SGSGDEHTZOBKLA-CYBMUJFWSA-N 0 0 340.807 2.894 50 0 EFAARN C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccco1)n1cccn1 ZINC000575614466 479455193 /nfs/dbraw/zinc/45/51/93/479455193.db2.gz UFFHTAIVXMSINI-HOCLYGCPSA-N 0 0 325.368 2.649 50 0 EFAARN O=C(NC[C@@H](c1cccs1)n1cccn1)c1noc2c1CCCC2 ZINC000575613902 479455348 /nfs/dbraw/zinc/45/53/48/479455348.db2.gz LKRWAZZUGKHPHJ-ZDUSSCGKSA-N 0 0 342.424 2.831 50 0 EFAARN C[C@H](Oc1ccccc1)C(=O)NCCn1cc(-c2ccoc2)cn1 ZINC000575614674 479455665 /nfs/dbraw/zinc/45/56/65/479455665.db2.gz ALLGSQDOOOGRKB-AWEZNQCLSA-N 0 0 325.368 2.727 50 0 EFAARN Cn1cc(-c2ccc(CNC(=O)NCc3cccs3)cn2)cn1 ZINC000575615556 479455988 /nfs/dbraw/zinc/45/59/88/479455988.db2.gz GHRQUTCXEBEASZ-UHFFFAOYSA-N 0 0 327.413 2.543 50 0 EFAARN O=C(c1ccsc1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616403 479456162 /nfs/dbraw/zinc/45/61/62/479456162.db2.gz JLCPUOCPDAUSSB-CQSZACIVSA-N 0 0 339.420 2.935 50 0 EFAARN O=c1c2ccccc2ncn1[C@H]1CCCN(c2cc3c(nn2)CCC3)C1 ZINC000575615668 479456567 /nfs/dbraw/zinc/45/65/67/479456567.db2.gz FZTZSKIPEVMMBG-HNNXBMFYSA-N 0 0 347.422 2.517 50 0 EFAARN O=C([C@@H]1COc2ccccc2O1)N1CC[C@@H](n2cnc3ccccc32)C1 ZINC000575618988 479457125 /nfs/dbraw/zinc/45/71/25/479457125.db2.gz YODPWUMMFIOGRT-KUHUBIRLSA-N 0 0 349.390 2.650 50 0 EFAARN O=C(Cc1ccccc1Cl)NCc1cn(-c2ccsc2)nn1 ZINC000575617500 479457218 /nfs/dbraw/zinc/45/72/18/479457218.db2.gz DLFNQOFHJKXZIA-UHFFFAOYSA-N 0 0 332.816 2.841 50 0 EFAARN O=C(NCCOCCn1cccn1)C1(c2cccs2)CCCC1 ZINC000575618683 479457297 /nfs/dbraw/zinc/45/72/97/479457297.db2.gz FLOILLNXKXMVLX-UHFFFAOYSA-N 0 0 333.457 2.589 50 0 EFAARN O=S(=O)(NCc1nccnc1-c1ccoc1)c1ccccc1Cl ZINC000575619341 479457480 /nfs/dbraw/zinc/45/74/80/479457480.db2.gz DKYSLXMWEUPSGW-UHFFFAOYSA-N 0 0 349.799 2.869 50 0 EFAARN CC(C)[C@H](Cn1cncn1)NC(=O)c1nc(-c2cccs2)cs1 ZINC000575617290 479457490 /nfs/dbraw/zinc/45/74/90/479457490.db2.gz VNJODMMVYVTZTJ-NSHDSACASA-N 0 0 347.469 2.918 50 0 EFAARN O=C(NCc1nccnc1-c1cccnc1)c1cc2ccccc2[nH]1 ZINC000575619039 479457658 /nfs/dbraw/zinc/45/76/58/479457658.db2.gz FYRVXLGJQICMDQ-UHFFFAOYSA-N 0 0 329.363 2.950 50 0 EFAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccnc(N2CCCC2=O)c1 ZINC000575618861 479457718 /nfs/dbraw/zinc/45/77/18/479457718.db2.gz JJWYNVRQDDJFNY-UHFFFAOYSA-N 0 0 348.406 2.549 50 0 EFAARN O=C(NCc1cn(-c2ccsc2)nn1)c1ccc2ncsc2c1 ZINC000575618011 479457800 /nfs/dbraw/zinc/45/78/00/479457800.db2.gz GMOJWKAZZNGZGM-UHFFFAOYSA-N 0 0 341.421 2.869 50 0 EFAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccnc(-c2cnn(C)c2)c1 ZINC000575617448 479457917 /nfs/dbraw/zinc/45/79/17/479457917.db2.gz AZMBDOGAUYONLF-CQSZACIVSA-N 0 0 336.395 2.566 50 0 EFAARN CCOc1ccccc1C(=O)NCc1cncc(N2CCCC2=O)c1 ZINC000575620120 479458119 /nfs/dbraw/zinc/45/81/19/479458119.db2.gz QPDVDNFGHBCWSS-UHFFFAOYSA-N 0 0 339.395 2.537 50 0 EFAARN CSc1cccc(C(=O)NCc2cncc(N3CCCC3=O)c2)c1 ZINC000575621229 479458153 /nfs/dbraw/zinc/45/81/53/479458153.db2.gz ZAPLRZCBUBXVRD-UHFFFAOYSA-N 0 0 341.436 2.860 50 0 EFAARN COc1ccc(C(=O)NCc2nccnc2-c2cccnc2)cc1F ZINC000575619680 479458237 /nfs/dbraw/zinc/45/82/37/479458237.db2.gz MDCWCHBMOFHDQO-UHFFFAOYSA-N 0 0 338.342 2.616 50 0 EFAARN O=C(NCc1nccnc1-c1ccoc1)[C@H]1CCc2ccccc2O1 ZINC000575620150 479458659 /nfs/dbraw/zinc/45/86/59/479458659.db2.gz KSQSWIMNFHGQKL-QGZVFWFLSA-N 0 0 335.363 2.747 50 0 EFAARN O=C(CSCc1ccccc1)NCc1cn(-c2ccsc2)nn1 ZINC000575619581 479458911 /nfs/dbraw/zinc/45/89/11/479458911.db2.gz WSBCWJVFEBNTQX-UHFFFAOYSA-N 0 0 344.465 2.878 50 0 EFAARN COc1ccc(C(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cn1 ZINC000575620125 479458935 /nfs/dbraw/zinc/45/89/35/479458935.db2.gz QSMUDPXIQIGHHH-SFHVURJKSA-N 0 0 348.406 2.612 50 0 EFAARN O=C(NC[C@H](OCCO)c1ccsc1)c1ccccc1Cl ZINC000575621661 479459540 /nfs/dbraw/zinc/45/95/40/479459540.db2.gz QMVNDGHLMVQTPD-AWEZNQCLSA-N 0 0 325.817 2.882 50 0 EFAARN O=C(c1ccc2c(c1)NC(=O)CO2)N1CCCC[C@H]1c1cccnc1 ZINC000604404949 479513887 /nfs/dbraw/zinc/51/38/87/479513887.db2.gz KCBAEMRSBIBUDK-INIZCTEOSA-N 0 0 337.379 2.780 50 0 EFAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccco1)c1cn(C)c3cccc(c13)N2 ZINC000604405138 479514531 /nfs/dbraw/zinc/51/45/31/479514531.db2.gz XEASIZCEOCFYMZ-SFHVURJKSA-N 0 0 347.374 2.972 50 0 biogenic EFAARN Cn1cc(CCNC(=O)c2ccccc2-n2cnnc2)c2ccccc21 ZINC000604419001 479517317 /nfs/dbraw/zinc/51/73/17/479517317.db2.gz FJZWAEDWMCCSPW-UHFFFAOYSA-N 0 0 345.406 2.732 50 0 EFAARN COc1ccc([C@H](NC(=O)COc2c[nH]c(C)cc2=O)C(C)C)cc1 ZINC000604419466 479517570 /nfs/dbraw/zinc/51/75/70/479517570.db2.gz YCMBVHIOHBTNAY-LJQANCHMSA-N 0 0 344.411 2.584 50 0 EFAARN COc1cccc2c1OC[C@@H](NC(=O)CCc1scnc1C)C2 ZINC000665725822 482019151 /nfs/dbraw/zinc/01/91/51/482019151.db2.gz LMUNBYFHEGOALZ-ZDUSSCGKSA-N 0 0 332.425 2.513 50 0 EFAARN CCCCNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000035558742 520653259 /nfs/dbraw/zinc/65/32/59/520653259.db2.gz 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/nfs/dbraw/zinc/87/26/94/525872694.db2.gz IEGWIAUZQDYSLA-UHFFFAOYSA-N 0 0 332.425 2.639 50 0 EFAARN CSc1ccc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000000039242 526011437 /nfs/dbraw/zinc/01/14/37/526011437.db2.gz JQMNHQHNUWQNKK-UHFFFAOYSA-N 0 0 348.859 2.814 50 0 EFAARN Cc1cc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(C)o1 ZINC000131919166 526244193 /nfs/dbraw/zinc/24/41/93/526244193.db2.gz HUKXFGRDYZFZKX-UHFFFAOYSA-N 0 0 332.425 2.946 50 0 EFAARN Fc1ccccc1-n1nc(Cn2cncn2)nc1CCC(F)(F)F ZINC000095500500 526407039 /nfs/dbraw/zinc/40/70/39/526407039.db2.gz UKAWFWGNCDUUCQ-UHFFFAOYSA-N 0 0 340.284 2.541 50 0 EFAARN O=C(NCc1ccc(F)cc1)c1ccc(OC[C@H]2CCCO2)nc1 ZINC000245053503 526674109 /nfs/dbraw/zinc/67/41/09/526674109.db2.gz OXDSAMVYIVUCNT-MRXNPFEDSA-N 0 0 330.359 2.709 50 0 EFAARN Cc1ocnc1C(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 ZINC000244724013 526836899 /nfs/dbraw/zinc/83/68/99/526836899.db2.gz MMAWAQBXTWPDLU-QIIPPGSGSA-N 0 0 337.379 2.773 50 0 EFAARN 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CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 ZINC000012451538 1268486182 /nfs/dbraw/zinc/48/61/82/1268486182.db2.gz RVKCMKHRJWPNRX-MOPGFXCFSA-N 0 0 328.456 2.869 50 0 EFAARN O=C(N[C@@H](C1=CCCN(Cc2ccccn2)C1)C(F)(F)F)C1CC1 ZINC000065370827 1270950205 /nfs/dbraw/zinc/95/02/05/1270950205.db2.gz YRVDNIQGIUQXON-HNNXBMFYSA-N 0 0 339.361 2.671 50 0 EFAARN Cc1cccc([C@H](C(=O)N(C)Cc2noc(C3CCC3)n2)N(C)C)c1 ZINC000065396934 1271192356 /nfs/dbraw/zinc/19/23/56/1271192356.db2.gz IYMGXCAJBWMORE-QGZVFWFLSA-N 0 0 342.443 2.907 50 0 EFAARN CC(C)C(=O)Nc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 ZINC000065461311 1272215199 /nfs/dbraw/zinc/21/51/99/1272215199.db2.gz INTDBQIUTZXRRV-RBUKOAKNSA-N 0 0 346.471 2.703 50 0 EFAARN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000585395392 1281867008 /nfs/dbraw/zinc/86/70/08/1281867008.db2.gz HXILJDVDELLRQY-CQSZACIVSA-N 0 0 325.430 2.783 50 0 EFAARN COc1c(F)c(F)cc(C(=O)N[C@H]2CCC23CCOCC3)c1F ZINC000585409457 1281867862 /nfs/dbraw/zinc/86/78/62/1281867862.db2.gz 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COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H](OC)c1ccccc1 ZINC000952964934 1284924150 /nfs/dbraw/zinc/92/41/50/1284924150.db2.gz RARYFBLHGNNGMP-KRWDZBQOSA-N 0 0 338.367 2.602 50 0 EFAARN CC(C)c1ccc(OCC(=O)NCC2(OCCO)CCCC2)cc1 ZINC000952964733 1284924465 /nfs/dbraw/zinc/92/44/65/1284924465.db2.gz ODMSLPKEKQNZHQ-UHFFFAOYSA-N 0 0 335.444 2.627 50 0 EFAARN C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000952964548 1284924931 /nfs/dbraw/zinc/92/49/31/1284924931.db2.gz MKEBIVXHVRKBTM-ZDUSSCGKSA-N 0 0 344.377 2.774 50 0 EFAARN COC[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccnn1C ZINC000952965883 1284926302 /nfs/dbraw/zinc/92/63/02/1284926302.db2.gz CZHYPPJBXFBUBU-GWJCSSMESA-N 0 0 342.424 2.547 50 0 EFAARN CCc1nc(-c2c(C)nn3c2nc(C)cc3C)n(-c2cccnc2)n1 ZINC000952966010 1284926636 /nfs/dbraw/zinc/92/66/36/1284926636.db2.gz BPDKKBKBGQZLCF-UHFFFAOYSA-N 0 0 333.399 2.860 50 0 EFAARN Cc1ccc(OC[C@@H]2CCCN(S(=O)(=O)N(C)C(C)C)C2)cc1 ZINC000952970214 1284935980 /nfs/dbraw/zinc/93/59/80/1284935980.db2.gz 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CCn1ncc(Cl)c1C(=O)N(Cc1c(C)nn(C)c1C)C(C)C ZINC000055371228 214314493 /nfs/dbraw/zinc/31/44/93/214314493.db2.gz ABEYSICCMSVSSK-UHFFFAOYSA-N 0 0 337.855 2.958 50 0 EFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)CCc1c(C)n[nH]c1C ZINC000055386707 214315334 /nfs/dbraw/zinc/31/53/34/214315334.db2.gz NMKJODGRSORZHH-UHFFFAOYSA-N 0 0 333.436 2.589 50 0 EFAARN CCNc1ncc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)cn1 ZINC000055392844 214316323 /nfs/dbraw/zinc/31/63/23/214316323.db2.gz XPHSYQBHNXIXRW-OAHLLOKOSA-N 0 0 346.456 2.791 50 0 EFAARN CCCN1C[C@@H](C(=O)N(Cc2ccccc2OC)C2CC2)CCC1=O ZINC000055341057 214308727 /nfs/dbraw/zinc/30/87/27/214308727.db2.gz BZDCSQPAKOKDEJ-INIZCTEOSA-N 0 0 344.455 2.835 50 0 EFAARN Cn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(O)c4)ccc32)n1 ZINC000055342235 214309883 /nfs/dbraw/zinc/30/98/83/214309883.db2.gz OLQCYEAPEMIJOE-UHFFFAOYSA-N 0 0 347.378 2.781 50 0 EFAARN COC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccc(C)cc1C ZINC000004694380 210248949 /nfs/dbraw/zinc/24/89/49/210248949.db2.gz 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ZINC000055414147 214322266 /nfs/dbraw/zinc/32/22/66/214322266.db2.gz NXEYDFGVBSOUOL-UHFFFAOYSA-N 0 0 335.408 2.730 50 0 EFAARN CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(C(C)C)nn1CC ZINC000055414605 214322479 /nfs/dbraw/zinc/32/24/79/214322479.db2.gz DPZMQIRPWMHYMD-MRXNPFEDSA-N 0 0 344.459 2.835 50 0 EFAARN COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000055543010 214328841 /nfs/dbraw/zinc/32/88/41/214328841.db2.gz IHXQKOZGRNYNLV-UHFFFAOYSA-N 0 0 346.402 2.871 50 0 EFAARN O=C(CCC(=O)NC1CCCC1)N[C@H](c1cccnc1)C(F)(F)F ZINC000055568690 214330412 /nfs/dbraw/zinc/33/04/12/214330412.db2.gz WCLORMRCZGCQTD-OAHLLOKOSA-N 0 0 343.349 2.640 50 0 EFAARN CCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(N(C)C)nc1C ZINC000055568774 214330747 /nfs/dbraw/zinc/33/07/47/214330747.db2.gz FBIHDIGMUDOVGZ-UHFFFAOYSA-N 0 0 342.443 2.912 50 0 EFAARN CNC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000055567335 214330771 /nfs/dbraw/zinc/33/07/71/214330771.db2.gz PMIBXABXTIWROM-UHFFFAOYSA-N 0 0 338.816 2.809 50 0 EFAARN COc1ccc(CC(=O)N(C)C2Cc3ccccc3C2)cc1OC ZINC000055626754 214335321 /nfs/dbraw/zinc/33/53/21/214335321.db2.gz WGWIXYOADXLBKJ-UHFFFAOYSA-N 0 0 325.408 2.872 50 0 EFAARN CCc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)on1 ZINC000097797290 219057728 /nfs/dbraw/zinc/05/77/28/219057728.db2.gz HPZLHLAFXLLQSH-KRWDZBQOSA-N 0 0 344.411 2.937 50 0 EFAARN COc1ccc(-n2ccnc2CN2CCC[C@H]2c2nnc(C)[nH]2)cc1 ZINC000097797278 219057768 /nfs/dbraw/zinc/05/77/68/219057768.db2.gz DPCJAYYAIMKWES-INIZCTEOSA-N 0 0 338.415 2.645 50 0 EFAARN c1cc(-n2nc(C3CCOCC3)nc2CC2CC2)cc2c1OCO2 ZINC000097805634 219057852 /nfs/dbraw/zinc/05/78/52/219057852.db2.gz KJTUMAWFJWBIKJ-UHFFFAOYSA-N 0 0 327.384 2.843 50 0 EFAARN Cc1cccc2nc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c(F)n21 ZINC000097797723 219058020 /nfs/dbraw/zinc/05/80/20/219058020.db2.gz SRCSOQULIXJKDX-ZDUSSCGKSA-N 0 0 343.406 2.823 50 0 EFAARN Cc1ccc(NC(=O)COCC(=O)NCCC2=CCCCC2)cc1 ZINC000004679994 210246881 /nfs/dbraw/zinc/24/68/81/210246881.db2.gz VXFPVTNMYQTRMN-UHFFFAOYSA-N 0 0 330.428 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O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(F)c(F)c(F)c1 ZINC000061719816 214675385 /nfs/dbraw/zinc/67/53/85/214675385.db2.gz YOOGFOBSAVFQCT-UHFFFAOYSA-N 0 0 333.269 2.522 50 0 EFAARN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000004537725 210217068 /nfs/dbraw/zinc/21/70/68/210217068.db2.gz WWEXBFRWZHRCLU-UHFFFAOYSA-N 0 0 348.424 2.636 50 0 EFAARN CC(C)c1ccc(S(=O)(=O)N(C)c2ccsc2C(N)=O)cc1 ZINC000098212015 219087231 /nfs/dbraw/zinc/08/72/31/219087231.db2.gz WRBURJJHNCIJDI-UHFFFAOYSA-N 0 0 338.454 2.796 50 0 EFAARN Cc1nn(C)c2c1nc(C1CC1)nc2N1CCN(c2ccccc2)CC1 ZINC000057356016 282277665 /nfs/dbraw/zinc/27/76/65/282277665.db2.gz SPIMSWAJKIPNTB-UHFFFAOYSA-N 0 0 348.454 2.876 50 0 EFAARN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 ZINC000004536267 210214725 /nfs/dbraw/zinc/21/47/25/210214725.db2.gz JFRAWKDRFIDTLB-UHFFFAOYSA-N 0 0 337.423 2.957 50 0 EFAARN COc1ccc(CCNC(=O)c2cn(C)c(=O)c3ccccc23)cc1 ZINC000062001517 214691133 /nfs/dbraw/zinc/69/11/33/214691133.db2.gz RHJBQHVLWVKYOA-UHFFFAOYSA-N 0 0 336.391 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CC(=O)c1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000100628937 219102466 /nfs/dbraw/zinc/10/24/66/219102466.db2.gz MVNKCAOFHKGGTN-GJZGRUSLSA-N 0 0 332.787 2.776 50 0 EFAARN CC(=O)c1ccc(NCN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000100628934 219102767 /nfs/dbraw/zinc/10/27/67/219102767.db2.gz MVNKCAOFHKGGTN-CABCVRRESA-N 0 0 332.787 2.776 50 0 EFAARN CCOC(=O)c1ccc(N2C(=N)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000004476977 210196380 /nfs/dbraw/zinc/19/63/80/210196380.db2.gz MDFBDWRLDNVBCM-UHFFFAOYSA-N 0 0 337.335 2.814 50 0 EFAARN CCN(CC)C(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000004435395 210192101 /nfs/dbraw/zinc/19/21/01/210192101.db2.gz FEPPNIHINLVOBZ-INIZCTEOSA-N 0 0 346.814 2.794 50 0 EFAARN CCCc1cc(=O)n2nc(NCc3c(F)cccc3Cl)[nH]c2n1 ZINC000100783300 219106510 /nfs/dbraw/zinc/10/65/10/219106510.db2.gz NWEYJDZOEWPKQK-UHFFFAOYSA-N 0 0 335.770 2.775 50 0 EFAARN CCOC(=O)c1s/c(=N\C(=O)c2c(F)cccc2F)n(C)c1C ZINC000100838439 219108550 /nfs/dbraw/zinc/10/85/50/219108550.db2.gz 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/nfs/dbraw/zinc/69/20/71/209692071.db2.gz JPQJCWMOPGYRDR-UHFFFAOYSA-N 0 0 326.410 2.959 50 0 EFAARN O=C(NCc1cccs1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000038677155 213220432 /nfs/dbraw/zinc/22/04/32/213220432.db2.gz ZFDRECVELPBGPN-UHFFFAOYSA-N 0 0 327.365 2.797 50 0 EFAARN O=C1CSC(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000974654 209696678 /nfs/dbraw/zinc/69/66/78/209696678.db2.gz BFCZOAOTLIAYFJ-LBPRGKRZSA-N 0 0 340.404 2.851 50 0 EFAARN CCn1cc([C@@H](C)NC(=O)Nc2ccccc2C(=O)OC)c(C)n1 ZINC000000621498 209685620 /nfs/dbraw/zinc/68/56/20/209685620.db2.gz MACPLJGPQURFIW-LLVKDONJSA-N 0 0 330.388 2.881 50 0 EFAARN O=C1Nc2ccc(S(=O)(=O)N3CCCCCC3)c3cccc1c23 ZINC000000620293 209683800 /nfs/dbraw/zinc/68/38/00/209683800.db2.gz YNKSOXHOZIFYAN-UHFFFAOYSA-N 0 0 330.409 2.970 50 0 EFAARN CCOc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 ZINC000000806836 209688058 /nfs/dbraw/zinc/68/80/58/209688058.db2.gz DAUZLTKSXNMCPT-LLVKDONJSA-N 0 0 331.397 2.533 50 0 EFAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000000803039 209687748 /nfs/dbraw/zinc/68/77/48/209687748.db2.gz BZKSUNKUCCFPKV-UHFFFAOYSA-N 0 0 330.409 2.569 50 0 EFAARN COc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1OC ZINC000000618915 209682277 /nfs/dbraw/zinc/68/22/77/209682277.db2.gz CJLHZQGCGMYBNT-UHFFFAOYSA-N 0 0 330.409 2.508 50 0 EFAARN CCOC(=O)[C@@H](C)Oc1c(Br)cc(C=O)cc1OC ZINC000000618704 209682381 /nfs/dbraw/zinc/68/23/81/209682381.db2.gz DYMZKHNCCPUNSE-MRVPVSSYSA-N 0 0 331.162 2.601 50 0 EFAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H]1COC2(CCCCC2)O1 ZINC000038568607 213214668 /nfs/dbraw/zinc/21/46/68/213214668.db2.gz KRQVXNFVGMDZMW-KEDPEKRHSA-N 0 0 345.395 2.621 50 0 EFAARN Cc1cc(C)cc(N([C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000000614787 209679829 /nfs/dbraw/zinc/67/98/29/209679829.db2.gz CKVZQKNSISXSAQ-CQSZACIVSA-N 0 0 338.473 2.517 50 0 EFAARN O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NCc1ccco1 ZINC000038498031 213212142 /nfs/dbraw/zinc/21/21/42/213212142.db2.gz LKNASNQENBQVLO-UHFFFAOYSA-N 0 0 340.335 2.565 50 0 EFAARN CN(C)c1ccc(CCNC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000038489629 213211476 /nfs/dbraw/zinc/21/14/76/213211476.db2.gz VPLHSLJNPFVFKP-UHFFFAOYSA-N 0 0 327.384 2.846 50 0 EFAARN Cc1oc(C)c(S(=O)(=O)N(C)C)c1C(=O)Nc1ccccc1F ZINC000038489399 213211549 /nfs/dbraw/zinc/21/15/49/213211549.db2.gz HXWZTICWGIEOCG-UHFFFAOYSA-N 0 0 340.376 2.538 50 0 EFAARN O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-c2cc[nH]n2)c1 ZINC000038490107 213210933 /nfs/dbraw/zinc/21/09/33/213210933.db2.gz PLXFSBUTGOTTNE-UHFFFAOYSA-N 0 0 334.335 2.623 50 0 EFAARN COC(=O)c1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1Cl ZINC000000611238 209676486 /nfs/dbraw/zinc/67/64/86/209676486.db2.gz BWTXGMDTJIHSGE-OAHLLOKOSA-N 0 0 347.754 2.905 50 0 EFAARN CCCCCCc1cccc(NC(=O)[C@H]([NH3+])CC[P@@](=O)([O-])O)c1 ZINC000038190873 213205523 /nfs/dbraw/zinc/20/55/23/213205523.db2.gz FWJRVGZWNDOOFH-OAHLLOKOSA-N 0 0 342.376 2.643 50 0 in-vitro EFAARN Oc1ccccc1-c1nc2c3cnn(-c4ccc(F)cc4)c3ncn2n1 ZINC000000541001 209656221 /nfs/dbraw/zinc/65/62/21/209656221.db2.gz CRCABYNGMXJEBU-UHFFFAOYSA-N 0 0 346.325 2.975 50 0 EFAARN CC1(C)[C@H](O)N(c2ccccc2)C(=O)N1NC(=O)Nc1ccccc1 ZINC000000502392 209637841 /nfs/dbraw/zinc/63/78/41/209637841.db2.gz JUBGWUQZSLGHRK-HNNXBMFYSA-N 0 0 340.383 2.762 50 0 EFAARN CC(=O)N1[C@@H](c2ccccc2)CC(=O)O[C@H]1c1ccc2c(c1)OCO2 ZINC000000489421 209632581 /nfs/dbraw/zinc/63/25/81/209632581.db2.gz GTCXRHKYOKPUID-BEFAXECRSA-N 0 0 339.347 2.951 50 0 biogenic EFAARN CCOC(=O)CCc1c(C)c2ccc(O[C@H](C)C(C)=O)cc2oc1=O ZINC000000488358 209632904 /nfs/dbraw/zinc/63/29/04/209632904.db2.gz PYBPLRQYIVMPMJ-CYBMUJFWSA-N 0 0 346.379 2.953 50 0 EFAARN Cc1nn(Cc2ccc(C(=O)n3cccn3)o2)c(C)c1Br ZINC000000483866 209630065 /nfs/dbraw/zinc/63/00/65/209630065.db2.gz PYDFQFDLHDAVEE-UHFFFAOYSA-N 0 0 349.188 2.789 50 0 EFAARN Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000470487 209621052 /nfs/dbraw/zinc/62/10/52/209621052.db2.gz NGIUIBASNBJFSW-UHFFFAOYSA-N 0 0 338.816 2.565 50 0 EFAARN COc1ccccc1-c1c(C)oc2cc(OCC(N)=O)ccc2c1=O ZINC000000463284 209616935 /nfs/dbraw/zinc/61/69/35/209616935.db2.gz CXOZSYHVOWTQED-UHFFFAOYSA-N 0 0 339.347 2.641 50 0 biogenic EFAARN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OC ZINC000000461961 209615111 /nfs/dbraw/zinc/61/51/11/209615111.db2.gz XKEXGUCFPFXBFE-CYBMUJFWSA-N 0 0 347.386 2.969 50 0 EFAARN Cc1ccc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nn1 ZINC000036705697 213111527 /nfs/dbraw/zinc/11/15/27/213111527.db2.gz NXGBSGGBFHQVBD-UHFFFAOYSA-N 0 0 348.834 2.824 50 0 EFAARN Cc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 ZINC000000450381 209608828 /nfs/dbraw/zinc/60/88/28/209608828.db2.gz SLHSHATTWNFNSU-UHFFFAOYSA-N 0 0 336.388 2.539 50 0 EFAARN COc1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1 ZINC000000451077 209608144 /nfs/dbraw/zinc/60/81/44/209608144.db2.gz PQPCGXZMPIOQIC-UHFFFAOYSA-N 0 0 330.409 2.896 50 0 EFAARN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000000450179 209608258 /nfs/dbraw/zinc/60/82/58/209608258.db2.gz ITBIEWSYRIKYRE-MRXNPFEDSA-N 0 0 338.407 2.673 50 0 EFAARN COc1cccc(Cn2nc(C)c3cnn(C(C)(C)C)c3c2=O)c1 ZINC000036665587 213108852 /nfs/dbraw/zinc/10/88/52/213108852.db2.gz JEUKPDRBNSACRX-UHFFFAOYSA-N 0 0 326.400 2.713 50 0 EFAARN O=C(Nc1ccncc1)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000036615377 213102548 /nfs/dbraw/zinc/10/25/48/213102548.db2.gz TTXMJOAFWYCONZ-AWEZNQCLSA-N 0 0 346.184 2.976 50 0 EFAARN COc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)C ZINC000036638874 213106013 /nfs/dbraw/zinc/10/60/13/213106013.db2.gz SQPQJTMVMHFONL-UHFFFAOYSA-N 0 0 336.251 2.700 50 0 EFAARN O=S(=O)(c1ccccc1Cl)N1CCN(C2CCCC2)CC1 ZINC000036520573 213099420 /nfs/dbraw/zinc/09/94/20/213099420.db2.gz DMBIFPMQXZJYAS-UHFFFAOYSA-N 0 0 328.865 2.589 50 0 EFAARN CCn1cc(-c2csc(NC(=O)c3cc(C4CC4)[nH]n3)n2)cn1 ZINC000036613947 213101986 /nfs/dbraw/zinc/10/19/86/213101986.db2.gz MFQARGAPLRDLHN-UHFFFAOYSA-N 0 0 328.401 2.879 50 0 EFAARN CCn1ncc(NC(=O)c2cc(C)nc3c2c(C)nn3CC)c1C ZINC000036612166 213102053 /nfs/dbraw/zinc/10/20/53/213102053.db2.gz NIUVICBGESZOGV-UHFFFAOYSA-N 0 0 326.404 2.845 50 0 EFAARN CCn1cc([C@H](C)NC(=O)c2cc(C)nc3onc(C)c32)c(C)n1 ZINC000036614237 213101552 /nfs/dbraw/zinc/10/15/52/213101552.db2.gz IFNMFQFIDKMUPH-JTQLQIEISA-N 0 0 327.388 2.855 50 0 EFAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(F)cc1 ZINC000036601934 213100671 /nfs/dbraw/zinc/10/06/71/213100671.db2.gz AZMHWUSLKOOHLB-OAHLLOKOSA-N 0 0 341.342 2.945 50 0 EFAARN Cc1nn(CCCNC(=O)NC2CCCCC2)cc1Br ZINC000036610953 213100405 /nfs/dbraw/zinc/10/04/05/213100405.db2.gz FJFCDKFROYCMPM-UHFFFAOYSA-N 0 0 343.269 2.976 50 0 EFAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(ccn2C)c1 ZINC000036369998 213091759 /nfs/dbraw/zinc/09/17/59/213091759.db2.gz BWHSEISKCIAFGJ-KRWDZBQOSA-N 0 0 336.391 2.692 50 0 biogenic EFAARN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)NC1CCCC1 ZINC000036365717 213090958 /nfs/dbraw/zinc/09/09/58/213090958.db2.gz CXWGKLVXGYTVQG-UHFFFAOYSA-N 0 0 337.420 2.849 50 0 EFAARN O=C(NC1CCCC1)c1ccc(Cn2cnc3ccccc3c2=O)o1 ZINC000036366958 213090997 /nfs/dbraw/zinc/09/09/97/213090997.db2.gz NICZLYUBTREGIZ-UHFFFAOYSA-N 0 0 337.379 2.710 50 0 EFAARN O=S(=O)(NC1CC1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)o1 ZINC000036360084 213090110 /nfs/dbraw/zinc/09/01/10/213090110.db2.gz BZSXLIILAXMJNX-UHFFFAOYSA-N 0 0 349.343 2.576 50 0 EFAARN COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-n1cnnn1 ZINC000036357332 213089150 /nfs/dbraw/zinc/08/91/50/213089150.db2.gz YEGVOWBCXSKQPA-UHFFFAOYSA-N 0 0 329.747 2.577 50 0 EFAARN COc1ccc(CC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1OC ZINC000036358398 213089140 /nfs/dbraw/zinc/08/91/40/213089140.db2.gz YIYCZBBLWMFLGM-GFCCVEGCSA-N 0 0 349.412 2.588 50 0 EFAARN CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)s1 ZINC000036352847 213088021 /nfs/dbraw/zinc/08/80/21/213088021.db2.gz SEKNUNGCWAMHLR-JSGCOSHPSA-N 0 0 344.440 2.820 50 0 EFAARN O=C(COc1ccc(Cl)cc1)NCCCc1nnc2ccccn21 ZINC000036354109 213087570 /nfs/dbraw/zinc/08/75/70/213087570.db2.gz JYACJNFXFLDCDR-UHFFFAOYSA-N 0 0 344.802 2.511 50 0 EFAARN O=c1c2cn[nH]c2nc(SCc2ccncc2)n1-c1ccccc1 ZINC000036242336 213078488 /nfs/dbraw/zinc/07/84/88/213078488.db2.gz TZIXQVXVLCKLOH-UHFFFAOYSA-N 0 0 335.392 2.796 50 0 EFAARN O=C(NCc1nnc(SCc2cccnc2)o1)c1ccc(F)cc1 ZINC000070635160 215699896 /nfs/dbraw/zinc/69/98/96/215699896.db2.gz SRJPQPLYXKTIDQ-UHFFFAOYSA-N 0 0 344.371 2.826 50 0 EFAARN COC(=O)c1c2c(sc1NC(=O)c1cnccn1)CCCCC2 ZINC000000441741 209601873 /nfs/dbraw/zinc/60/18/73/209601873.db2.gz GIGQMJQDQGIONU-UHFFFAOYSA-N 0 0 331.397 2.846 50 0 EFAARN CN(C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1 ZINC000036079567 213060563 /nfs/dbraw/zinc/06/05/63/213060563.db2.gz QZEGGTNMUBJXKR-AWEZNQCLSA-N 0 0 342.461 2.610 50 0 EFAARN O=C(C[C@H]1C=CCC1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000187827180 236310733 /nfs/dbraw/zinc/31/07/33/236310733.db2.gz BTZTYYRNMMNOBQ-JTQLQIEISA-N 0 0 346.378 2.562 50 0 EFAARN O=S(=O)(c1cc(F)ccc1F)N1CCN(C2CCCCC2)CC1 ZINC000035800930 213049004 /nfs/dbraw/zinc/04/90/04/213049004.db2.gz JYESTGFNZLZVEM-UHFFFAOYSA-N 0 0 344.427 2.604 50 0 EFAARN COc1ccc(NC(=O)NCCNc2ccc(C)nn2)cc1Cl ZINC000035597986 213041207 /nfs/dbraw/zinc/04/12/07/213041207.db2.gz KPFQIFWJBRIRKY-UHFFFAOYSA-N 0 0 335.795 2.681 50 0 EFAARN O=C(NCc1ccccc1)[C@H]1CC=CC[C@@H]1C(=O)N1CCCCC1 ZINC000035606269 213041485 /nfs/dbraw/zinc/04/14/85/213041485.db2.gz NDCQTUMBHVRMMC-ROUUACIJSA-N 0 0 326.440 2.898 50 0 EFAARN CCOC(=O)C(=O)Nc1c2c(cn1-c1ccc(F)cc1)CSC2 ZINC000035587929 213040744 /nfs/dbraw/zinc/04/07/44/213040744.db2.gz OOAYZEDYYWSCJY-UHFFFAOYSA-N 0 0 334.372 2.865 50 0 EFAARN Cc1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)n1 ZINC000035592766 213040571 /nfs/dbraw/zinc/04/05/71/213040571.db2.gz UMALNETYYUEMFD-UHFFFAOYSA-N 0 0 337.335 2.955 50 0 EFAARN CCCc1cc(=O)n(CC(=O)Nc2nc3ccc(C)cc3s2)cn1 ZINC000035595081 213040604 /nfs/dbraw/zinc/04/06/04/213040604.db2.gz ACVKDWCWJXVKTC-UHFFFAOYSA-N 0 0 342.424 2.753 50 0 EFAARN O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC000035592935 213040085 /nfs/dbraw/zinc/04/00/85/213040085.db2.gz OKGNIJFVCDBNGD-GOSISDBHSA-N 0 0 328.387 2.629 50 0 EFAARN O=C(CCn1cnc2c3ccccc3[nH]c2c1=O)NC1CCCCC1 ZINC000035423855 213026937 /nfs/dbraw/zinc/02/69/37/213026937.db2.gz UEPGIHYKKHEVKO-UHFFFAOYSA-N 0 0 338.411 2.717 50 0 EFAARN Cc1cc(N2CCCC2)nc2sc3c(ncnc3N(C)CCO)c21 ZINC000071283365 215752641 /nfs/dbraw/zinc/75/26/41/215752641.db2.gz WGVCLOQWXFDNKE-UHFFFAOYSA-N 0 0 343.456 2.577 50 0 EFAARN COc1cccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC(C)C)c1OC ZINC000000432753 209597112 /nfs/dbraw/zinc/59/71/12/209597112.db2.gz XGTVXJXYSLSUEW-HNNXBMFYSA-N 0 0 348.399 2.626 50 0 EFAARN C[C@H](NS(=O)(=O)c1cccc2nonc21)c1ccc(Cl)s1 ZINC000035269504 213016858 /nfs/dbraw/zinc/01/68/58/213016858.db2.gz NCDFJEZIBSVIKY-ZETCQYMHSA-N 0 0 343.817 2.977 50 0 EFAARN CC(C)c1csc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)n1 ZINC000071419277 215772179 /nfs/dbraw/zinc/77/21/79/215772179.db2.gz OVKGYCOJYOYQFA-UHFFFAOYSA-N 0 0 348.453 2.767 50 0 EFAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC000071745782 215801885 /nfs/dbraw/zinc/80/18/85/215801885.db2.gz IAJFDRYZJHLIEU-OAHLLOKOSA-N 0 0 325.412 2.563 50 0 EFAARN Cc1ccnc([C@H](NC(=O)C(=O)N2CCc3ccccc32)C2CC2)c1 ZINC000071749155 215805320 /nfs/dbraw/zinc/80/53/20/215805320.db2.gz XEMHWSIRAJDZHG-GOSISDBHSA-N 0 0 335.407 2.547 50 0 EFAARN Cc1ccnc([C@@H](NC(=O)c2cnc3cccc(C)n3c2=O)C2CC2)c1 ZINC000071749079 215805391 /nfs/dbraw/zinc/80/53/91/215805391.db2.gz RLELBUDUZBWFOJ-SFHVURJKSA-N 0 0 348.406 2.587 50 0 EFAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nccs1 ZINC000000428233 209593308 /nfs/dbraw/zinc/59/33/08/209593308.db2.gz MWUKHZXGFLJFGZ-UHFFFAOYSA-N 0 0 332.410 2.848 50 0 EFAARN CC(C)[C@@H](NC(=O)C(=O)N1CCCc2ccccc21)c1ccccn1 ZINC000071763104 215818922 /nfs/dbraw/zinc/81/89/22/215818922.db2.gz CHQKXLRAIILBBS-GOSISDBHSA-N 0 0 337.423 2.874 50 0 EFAARN NC(=O)c1csc(N2CCc3[nH]c4c(cccc4Cl)c3C2)n1 ZINC000077521906 283393596 /nfs/dbraw/zinc/39/35/96/283393596.db2.gz QFSAPEZVTDYERP-UHFFFAOYSA-N 0 0 332.816 2.939 50 0 EFAARN NC(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000271893 283395664 /nfs/dbraw/zinc/39/56/64/283395664.db2.gz GJYYEMUSWSBSBZ-UHFFFAOYSA-N 0 0 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ZINC000072325190 216150920 /nfs/dbraw/zinc/15/09/20/216150920.db2.gz KISMDTOODVBCHO-INIZCTEOSA-N 0 0 347.455 2.817 50 0 biogenic EFAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccn(CC)n1)CCC2 ZINC000000204353 209483293 /nfs/dbraw/zinc/48/32/93/209483293.db2.gz GCASPVCPPKSKBG-UHFFFAOYSA-N 0 0 333.413 2.882 50 0 EFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)cc1 ZINC000000202682 209481541 /nfs/dbraw/zinc/48/15/41/209481541.db2.gz GOPDTJMAMUZZSL-KBXCAEBGSA-N 0 0 333.384 2.525 50 0 biogenic EFAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000000192823 209475604 /nfs/dbraw/zinc/47/56/04/209475604.db2.gz VDPOPTVFYKNQOF-UHFFFAOYSA-N 0 0 348.424 2.675 50 0 EFAARN COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000186310 209471885 /nfs/dbraw/zinc/47/18/85/209471885.db2.gz UYTAJIZGUZFXNQ-UHFFFAOYSA-N 0 0 325.817 2.870 50 0 EFAARN Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1cccnc1 ZINC000072404470 216195638 /nfs/dbraw/zinc/19/56/38/216195638.db2.gz FSKMZKSXHDUNGV-UHFFFAOYSA-N 0 0 349.390 2.769 50 0 EFAARN Cc1nc2ccccc2n(CC(=O)Nc2ccc3[nH]ccc3c2)c1=O ZINC000072404793 216195802 /nfs/dbraw/zinc/19/58/02/216195802.db2.gz CGHHAGBPZABCCB-UHFFFAOYSA-N 0 0 332.363 2.825 50 0 EFAARN O=C(CCc1nc2cccnc2[nH]1)Nc1cccc(N2CCCC2=O)c1 ZINC000072403959 216195915 /nfs/dbraw/zinc/19/59/15/216195915.db2.gz RESNDQPHCABJKL-UHFFFAOYSA-N 0 0 349.394 2.656 50 0 EFAARN Cc1noc(C)c1Cc1nnc2sc(Cc3ccccc3)nn12 ZINC000072403962 216196195 /nfs/dbraw/zinc/19/61/95/216196195.db2.gz DLXGWSDPAAGBBR-UHFFFAOYSA-N 0 0 325.397 2.972 50 0 EFAARN CCn1cc(-c2nnc3sc(-c4cc(C(C)(C)C)[nH]n4)nn32)cn1 ZINC000072405702 216197288 /nfs/dbraw/zinc/19/72/88/216197288.db2.gz PBRUYFFBPUUWSS-UHFFFAOYSA-N 0 0 342.432 2.757 50 0 EFAARN Cn1nc2c(c1NC(=O)Cc1ccc3c(c1)OCCCO3)CSC2 ZINC000072402154 216193866 /nfs/dbraw/zinc/19/38/66/216193866.db2.gz HWWMWWRVGJWVCN-UHFFFAOYSA-N 0 0 345.424 2.509 50 0 EFAARN COc1ccc(OC)c(NC(=O)CCCc2nnc3ccccn32)c1 ZINC000072402186 216194417 /nfs/dbraw/zinc/19/44/17/216194417.db2.gz ZVXPQTZCJFIRFX-UHFFFAOYSA-N 0 0 340.383 2.708 50 0 EFAARN COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(O)cc(C)[nH]c1=O ZINC000072403182 216194728 /nfs/dbraw/zinc/19/47/28/216194728.db2.gz CSHKMOXXAROVDY-AWEZNQCLSA-N 0 0 341.363 2.512 50 0 EFAARN Cc1nc(-c2nn3c(nnc3-c3cc(CC(C)C)nn3C)s2)co1 ZINC000072403262 216194924 /nfs/dbraw/zinc/19/49/24/216194924.db2.gz BSZDNUXRGYXFMN-UHFFFAOYSA-N 0 0 343.416 2.748 50 0 EFAARN COC(=O)CC1CCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000072403256 216194948 /nfs/dbraw/zinc/19/49/48/216194948.db2.gz HWSISIXDZAHEOP-UHFFFAOYSA-N 0 0 328.412 2.833 50 0 EFAARN COc1ccc(OC)c(S(=O)(=O)N(C)[C@@H](C)Cc2ccccc2)c1 ZINC000072408200 216200070 /nfs/dbraw/zinc/20/00/70/216200070.db2.gz AKMREHBAMOPAJX-AWEZNQCLSA-N 0 0 349.452 2.956 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2cc(C3CC3)n[nH]2)[C@H](C)C1 ZINC000072410840 216202137 /nfs/dbraw/zinc/20/21/37/216202137.db2.gz JRKWQVSMRKKEKD-CYBMUJFWSA-N 0 0 340.427 2.647 50 0 EFAARN CC(C)n1cnnc1CN(C)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072409979 216200986 /nfs/dbraw/zinc/20/09/86/216200986.db2.gz UREZXCHTAMRDSB-UHFFFAOYSA-N 0 0 344.459 2.835 50 0 EFAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000000130562 209439523 /nfs/dbraw/zinc/43/95/23/209439523.db2.gz FULRTILSYSYODL-INIZCTEOSA-N 0 0 327.336 2.642 50 0 EFAARN C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072407710 216198166 /nfs/dbraw/zinc/19/81/66/216198166.db2.gz HVQVOVHJGYEJCZ-ZOXCZHJPSA-N 0 0 341.455 2.779 50 0 EFAARN Cc1cc(NCCc2csc(-c3ncccn3)n2)n2nccc2n1 ZINC000072407257 216198359 /nfs/dbraw/zinc/19/83/59/216198359.db2.gz FOLDVVNHXLUSPH-UHFFFAOYSA-N 0 0 337.412 2.606 50 0 EFAARN CCN(Cc1nc(C)no1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072408370 216199898 /nfs/dbraw/zinc/19/98/98/216199898.db2.gz VBUUMEOPXBPLQS-UHFFFAOYSA-N 0 0 331.416 2.744 50 0 EFAARN CC(C)c1nnc(C[N@@H+]2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000072417893 216206198 /nfs/dbraw/zinc/20/61/98/216206198.db2.gz KDMDVVAYXCACJV-CQSZACIVSA-N 0 0 329.400 2.956 50 0 EFAARN Cc1cc2n(n1)CCN(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)C2 ZINC000072410046 216202499 /nfs/dbraw/zinc/20/24/99/216202499.db2.gz XOBXYIOUDNOLRJ-UHFFFAOYSA-N 0 0 349.438 2.579 50 0 EFAARN Cc1nn2c(nc(C)cc2N[C@@H](CC(C)C)c2ncnn2C)c1C ZINC000072410722 216202961 /nfs/dbraw/zinc/20/29/61/216202961.db2.gz OOLJDPDORDIBQV-AWEZNQCLSA-N 0 0 327.436 2.982 50 0 EFAARN CC(C)OCC(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000072410152 216203211 /nfs/dbraw/zinc/20/32/11/216203211.db2.gz QPJTTXZAGVIEMZ-CYBMUJFWSA-N 0 0 333.457 2.806 50 0 EFAARN Cc1cc(C(=O)N[C@H]2CCCCNC2=O)c2ccc(C)c(C)c2n1 ZINC000072411670 216203597 /nfs/dbraw/zinc/20/35/97/216203597.db2.gz UXPCNWZZEUPENY-INIZCTEOSA-N 0 0 325.412 2.559 50 0 EFAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000072414658 216205515 /nfs/dbraw/zinc/20/55/15/216205515.db2.gz HPVKZKXIEYKBOW-CYBMUJFWSA-N 0 0 327.446 2.905 50 0 EFAARN COc1cc(S(=O)(=O)Oc2ccccn2)ccc1Br ZINC000072414647 216205545 /nfs/dbraw/zinc/20/55/45/216205545.db2.gz DFVGJMSPDFVQTL-UHFFFAOYSA-N 0 0 344.186 2.620 50 0 EFAARN Cc1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000000080105 209405807 /nfs/dbraw/zinc/40/58/07/209405807.db2.gz MDPPTXNTXOHRIH-AWEZNQCLSA-N 0 0 332.425 2.788 50 0 EFAARN Cc1cccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1C ZINC000000080168 209405404 /nfs/dbraw/zinc/40/54/04/209405404.db2.gz URKIJGLICQRLGE-UHFFFAOYSA-N 0 0 332.425 2.708 50 0 EFAARN Cc1cc2nc(-c3ccccc3)cc(NC[C@H]3CCC(=O)N3C)n2n1 ZINC000072419712 216208165 /nfs/dbraw/zinc/20/81/65/216208165.db2.gz LECJGAIQSCIYHX-OAHLLOKOSA-N 0 0 335.411 2.737 50 0 EFAARN CC(C)(O)CCc1cccc(C(=O)NCc2ccc(CO)cc2)c1 ZINC000072421000 216208846 /nfs/dbraw/zinc/20/88/46/216208846.db2.gz WKRLZRCYUQAETC-UHFFFAOYSA-N 0 0 327.424 2.812 50 0 EFAARN Cc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000072422103 216209700 /nfs/dbraw/zinc/20/97/00/216209700.db2.gz WMNIMTMHUXZHTL-GFCCVEGCSA-N 0 0 341.440 2.727 50 0 EFAARN CSCC[C@H](O)C(=O)N(C)Cc1csc(-c2cccs2)n1 ZINC000072422486 216211136 /nfs/dbraw/zinc/21/11/36/216211136.db2.gz XXGPILXIQCSDDV-NSHDSACASA-N 0 0 342.511 2.944 50 0 EFAARN O=C(Nc1cccnc1)[C@@H]1CN(Cc2ccc(Cl)s2)CCO1 ZINC000072422606 216211687 /nfs/dbraw/zinc/21/16/87/216211687.db2.gz KZQQBHCSFGSRIB-ZDUSSCGKSA-N 0 0 337.832 2.636 50 0 EFAARN O=C(c1cocn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072422617 216211859 /nfs/dbraw/zinc/21/18/59/216211859.db2.gz CWOGURPPGWMZCT-UHFFFAOYSA-N 0 0 340.301 2.817 50 0 EFAARN COc1ccc(OC[C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)cc1 ZINC000072423922 216212754 /nfs/dbraw/zinc/21/27/54/216212754.db2.gz BKVSMAUNJRCUDT-AWEZNQCLSA-N 0 0 341.411 2.604 50 0 EFAARN CNC(=O)c1ccc(CNc2cc(-c3ccccc3)nc3ccnn32)o1 ZINC000072425383 216216644 /nfs/dbraw/zinc/21/66/44/216216644.db2.gz LDFQHQFFNKHISK-UHFFFAOYSA-N 0 0 347.378 2.961 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNc1cccnc1 ZINC000072427377 216217333 /nfs/dbraw/zinc/21/73/33/216217333.db2.gz RQABNKLWLFUGIL-UHFFFAOYSA-N 0 0 349.438 2.655 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2csc(C)n2)[C@@H](C)C1 ZINC000072426716 216217343 /nfs/dbraw/zinc/21/73/43/216217343.db2.gz VFFRKYBWPLAZDH-LBPRGKRZSA-N 0 0 331.441 2.811 50 0 EFAARN Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1 ZINC000000068622 209399627 /nfs/dbraw/zinc/39/96/27/209399627.db2.gz PCSRJOYUPVIWNV-UHFFFAOYSA-N 0 0 329.367 2.677 50 0 EFAARN O=C(c1cccnc1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000000069784 209399390 /nfs/dbraw/zinc/39/93/90/209399390.db2.gz SUYMDQIIVHEGDV-FZMZJTMJSA-N 0 0 327.306 2.725 50 0 EFAARN COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC ZINC000000069216 209399221 /nfs/dbraw/zinc/39/92/21/209399221.db2.gz MFVVBEPOPCLNCH-UHFFFAOYSA-N 0 0 341.371 2.746 50 0 EFAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000067471 209398210 /nfs/dbraw/zinc/39/82/10/209398210.db2.gz OFLFPNJNGFZVLG-LBPRGKRZSA-N 0 0 328.290 2.896 50 0 EFAARN CCCCOC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000072423561 216213855 /nfs/dbraw/zinc/21/38/55/216213855.db2.gz GIKFPJFDCGVUIO-HNNXBMFYSA-N 0 0 338.379 2.792 50 0 EFAARN Cc1cccc2c(=O)cc(C(=O)NCc3ccc4c(c3)OCO4)oc12 ZINC000028232007 212607476 /nfs/dbraw/zinc/60/74/76/212607476.db2.gz YZBCSJWWAQJUHX-UHFFFAOYSA-N 0 0 337.331 2.760 50 0 EFAARN Nc1ccccc1C(=O)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccccc1 ZINC000000062657 209395271 /nfs/dbraw/zinc/39/52/71/209395271.db2.gz FTPSWGUFUQFHDQ-MRXNPFEDSA-N 0 0 349.312 2.878 50 0 EFAARN O=C(O[C@@H]1C[NH+]2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 ZINC000000057479 209393433 /nfs/dbraw/zinc/39/34/33/209393433.db2.gz HGMITUYOCPPQLE-LJQANCHMSA-N 0 0 337.419 2.560 50 0 in-vitro EFAARN O=C(c1ccccc1)N1CCN(C2=CC(=O)OC23CCCCC3)CC1 ZINC000000052032 209392391 /nfs/dbraw/zinc/39/23/91/209392391.db2.gz KMUVCWWFRNKRHV-UHFFFAOYSA-N 0 0 340.423 2.588 50 0 EFAARN COc1ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2c1 ZINC000000053208 209392437 /nfs/dbraw/zinc/39/24/37/209392437.db2.gz CUKKHPOXVXSGAC-UHFFFAOYSA-N 0 0 339.376 2.830 50 0 EFAARN COc1ccc(OC)c(N2C(=S)N=NC2c2cc(C3CC3)n[nH]2)c1 ZINC000000054474 209391914 /nfs/dbraw/zinc/39/19/14/209391914.db2.gz MHTRBVRAVZJZDR-UHFFFAOYSA-N 0 0 343.412 2.841 50 0 EFAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1nccs1 ZINC000000052385 209391717 /nfs/dbraw/zinc/39/17/17/209391717.db2.gz DVOIHJCAVSWTEY-UHFFFAOYSA-N 0 0 342.409 2.693 50 0 EFAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ccccn1 ZINC000000051245 209390785 /nfs/dbraw/zinc/39/07/85/209390785.db2.gz ZPGGFVJYZINANE-UHFFFAOYSA-N 0 0 336.380 2.632 50 0 EFAARN CCc1noc(CCn2ccnc2-c2cnc(-c3ccco3)nc2)n1 ZINC000072425592 216215867 /nfs/dbraw/zinc/21/58/67/216215867.db2.gz LQTYBNCNKGJSTC-UHFFFAOYSA-N 0 0 336.355 2.788 50 0 EFAARN CCOc1ccc(C(=O)C[C@@H]([NH2+]Cc2cccs2)C(=O)[O-])cc1 ZINC000000049053 209388900 /nfs/dbraw/zinc/38/89/00/209388900.db2.gz GRORFTPGAGTHHN-OAHLLOKOSA-N 0 0 333.409 2.963 50 0 EFAARN CC(=O)c1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000000047692 209388804 /nfs/dbraw/zinc/38/88/04/209388804.db2.gz IBNMPRWSQFGCNQ-UHFFFAOYSA-N 0 0 336.347 2.514 50 0 EFAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000000046210 209388515 /nfs/dbraw/zinc/38/85/15/209388515.db2.gz RTWHZSMKYZKMHV-UHFFFAOYSA-N 0 0 335.146 2.934 50 0 EFAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(OC)c1 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CCc1cc(N[C@@H](CCO)c2ccc(OC)cc2)n2nccc2n1 ZINC000072429297 216220969 /nfs/dbraw/zinc/22/09/69/216220969.db2.gz XGNZPYNIKHRUMI-INIZCTEOSA-N 0 0 326.400 2.836 50 0 EFAARN Cc1cc2n(n1)CCN(c1nc(C3CCCC3)nc3c1cnn3C)C2 ZINC000072429153 216221267 /nfs/dbraw/zinc/22/12/67/216221267.db2.gz WDUXIPBDGGWKHK-UHFFFAOYSA-N 0 0 337.431 2.546 50 0 EFAARN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccccc1F)CC2 ZINC000072426577 216217736 /nfs/dbraw/zinc/21/77/36/216217736.db2.gz CJAUBSTYLXFLMT-INIZCTEOSA-N 0 0 348.418 2.617 50 0 EFAARN COC[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccccn1 ZINC000072426683 216217979 /nfs/dbraw/zinc/21/79/79/216217979.db2.gz CLWHPRMASBWYBA-SFHVURJKSA-N 0 0 342.439 2.903 50 0 EFAARN CCCCc1nc(Cl)c(CN2CCC[C@]3(CN(C)C(=O)O3)C2)[nH]1 ZINC000072431543 216224737 /nfs/dbraw/zinc/22/47/37/216224737.db2.gz AFPZABLLKCQICX-INIZCTEOSA-N 0 0 340.855 2.822 50 0 EFAARN Cc1cnn([C@@H](C)CNC(=O)c2cccc(CCC(C)(C)O)c2)c1 ZINC000072431546 216225747 /nfs/dbraw/zinc/22/57/47/216225747.db2.gz 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Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000219560622 241395821 /nfs/dbraw/zinc/39/58/21/241395821.db2.gz GDBSQACDGDXBRL-CQSZACIVSA-N 0 0 328.416 2.900 50 0 EFAARN COc1ccc(CC(=O)N2CCC(=O)Nc3ccccc32)cc1OC ZINC000021803784 212252311 /nfs/dbraw/zinc/25/23/11/212252311.db2.gz CKBXWUNCHZXLHU-UHFFFAOYSA-N 0 0 340.379 2.622 50 0 biogenic EFAARN Cc1ccc(OCC(=O)N2CCC[C@@H](c3ccncn3)C2)cc1C ZINC000221224293 241457602 /nfs/dbraw/zinc/45/76/02/241457602.db2.gz CDDOATDXPNOCCY-MRXNPFEDSA-N 0 0 325.412 2.878 50 0 EFAARN O=C(CCCOc1ccccc1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000221219313 241459010 /nfs/dbraw/zinc/45/90/10/241459010.db2.gz YIVXGFMWUPPMEY-INIZCTEOSA-N 0 0 333.428 2.690 50 0 EFAARN Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000221407844 241469885 /nfs/dbraw/zinc/46/98/85/241469885.db2.gz WXMQSANKLZRWFJ-JTQLQIEISA-N 0 0 327.413 2.710 50 0 EFAARN CSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000222510868 241521412 /nfs/dbraw/zinc/52/14/12/241521412.db2.gz CQVZWAUBBMONEQ-HUUCEWRRSA-N 0 0 344.436 2.770 50 0 EFAARN C[C@@H](c1ccccc1)N(C)C(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000222210355 241499349 /nfs/dbraw/zinc/49/93/49/241499349.db2.gz AKNUIMLUTFBHBT-GOEBONIOSA-N 0 0 345.468 2.736 50 0 EFAARN Nc1nc(CCCNC(=O)CCc2c[nH]c3ccccc23)cs1 ZINC000223159773 241609911 /nfs/dbraw/zinc/60/99/11/241609911.db2.gz CAKOGCSFAIYLBK-UHFFFAOYSA-N 0 0 328.441 2.888 50 0 EFAARN COCCN1C[C@@H](Cc2ccc(N(C)C)c3ccccc23)CC1=O ZINC000223786974 241693998 /nfs/dbraw/zinc/69/39/98/241693998.db2.gz WQPWAIBVRVMUOH-HNNXBMFYSA-N 0 0 326.440 2.943 50 0 EFAARN COc1ccccc1CCC(=O)N(C)Cc1noc(C2CCC2)n1 ZINC000223913661 241708897 /nfs/dbraw/zinc/70/88/97/241708897.db2.gz DNPJVVNJEBMRLL-UHFFFAOYSA-N 0 0 329.400 2.937 50 0 EFAARN O=C1c2ccccc2C(=O)N1Cc1nc(Cc2cccs2)no1 ZINC000225527416 241915199 /nfs/dbraw/zinc/91/51/99/241915199.db2.gz YLWVERACOUIKRR-UHFFFAOYSA-N 0 0 325.349 2.518 50 0 EFAARN O=C(NCc1cccnc1-c1ccco1)[C@@H]1COc2ccccc2O1 ZINC000225659962 241974192 /nfs/dbraw/zinc/97/41/92/241974192.db2.gz IQHYKXZVUHCQKG-KRWDZBQOSA-N 0 0 336.347 2.798 50 0 EFAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)NC[C@@H]3CCCO3)cc21 ZINC000225549880 241923750 /nfs/dbraw/zinc/92/37/50/241923750.db2.gz YTCQBUDTUWGBLE-INIZCTEOSA-N 0 0 345.443 2.922 50 0 EFAARN O=C(c1ccc(O[C@@H]2CCSC2)nc1)N1CCC(F)(F)CC1 ZINC000225716739 242001541 /nfs/dbraw/zinc/00/15/41/242001541.db2.gz OJCKDAZXXZOODX-GFCCVEGCSA-N 0 0 328.384 2.837 50 0 EFAARN O=C([C@@H]1CC=CCC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225728831 242007054 /nfs/dbraw/zinc/00/70/54/242007054.db2.gz QEFIVILTKQZQMH-GFCCVEGCSA-N 0 0 340.349 2.500 50 0 EFAARN Cc1cc(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)n[nH]1 ZINC000225752125 242018267 /nfs/dbraw/zinc/01/82/67/242018267.db2.gz XSXDYMRHPQTDBL-UHFFFAOYSA-N 0 0 336.798 2.909 50 0 EFAARN O=C(Cn1nnc2ccccc21)NCc1cccnc1-c1cccs1 ZINC000225761377 242022791 /nfs/dbraw/zinc/02/27/91/242022791.db2.gz SOZVHMNJFKQXJB-UHFFFAOYSA-N 0 0 349.419 2.871 50 0 EFAARN O=C(COc1ccc(F)cc1)NCc1ccc(-c2cccnc2)nc1 ZINC000225764008 242024487 /nfs/dbraw/zinc/02/44/87/242024487.db2.gz QLRBXQHAZJGCLI-UHFFFAOYSA-N 0 0 337.354 2.978 50 0 EFAARN CCn1cccc1-c1noc(CNC(=O)c2cccnc2SC)n1 ZINC000225769272 242026911 /nfs/dbraw/zinc/02/69/11/242026911.db2.gz QNQFCKCKDXKAIZ-UHFFFAOYSA-N 0 0 343.412 2.605 50 0 EFAARN COc1cccc(C(=O)N(C)C[C@H]2Cc3ccccc3CO2)c1OC ZINC000225788288 242036505 /nfs/dbraw/zinc/03/65/05/242036505.db2.gz BYONJKVGPQHEHB-MRXNPFEDSA-N 0 0 341.407 2.917 50 0 EFAARN COc1ccccc1[C@@H]1C=C(c2ccccc2)Oc2[nH]c(=O)[nH]c(=O)c21 ZINC000226757756 242115597 /nfs/dbraw/zinc/11/55/97/242115597.db2.gz DUGSZSOFCURCRG-AWEZNQCLSA-N 0 0 348.358 2.637 50 0 EFAARN Cc1ccc(C(C)C)c(OCCNC(=O)[C@H]2CC(=O)OC2(C)C)c1 ZINC000226848829 242116908 /nfs/dbraw/zinc/11/69/08/242116908.db2.gz XBNRFJYKRUXRRL-OAHLLOKOSA-N 0 0 333.428 2.955 50 0 EFAARN COc1ccc(-c2cnn(CCCC(=O)Nc3cnn(C)c3)c2)cc1 ZINC000227166151 242127170 /nfs/dbraw/zinc/12/71/70/242127170.db2.gz BECDGGGZSKQYRH-UHFFFAOYSA-N 0 0 339.399 2.711 50 0 EFAARN Cc1nc2ccccn2c(=O)c1NC(=O)Cc1ccc(Cl)cc1 ZINC000021649588 212237410 /nfs/dbraw/zinc/23/74/10/212237410.db2.gz AZTIYJNMDRQRNK-UHFFFAOYSA-N 0 0 327.771 2.838 50 0 EFAARN CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1Br ZINC000230534789 242262277 /nfs/dbraw/zinc/26/22/77/242262277.db2.gz HZIIAZDKCMJNMB-UHFFFAOYSA-N 0 0 328.178 2.758 50 0 EFAARN CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(OC)c(-n2nc(C)cc2C)c1 ZINC000230211598 242249490 /nfs/dbraw/zinc/24/94/90/242249490.db2.gz FKOQFVNUAXYYQD-WBMJQRKESA-N 0 0 345.443 2.635 50 0 EFAARN Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(N2CCCC2)n1 ZINC000021360660 212222060 /nfs/dbraw/zinc/22/20/60/212222060.db2.gz MMQUZRFRBWIDFP-UHFFFAOYSA-N 0 0 344.390 2.850 50 0 EFAARN OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1Cc1ccc(F)cc1 ZINC000020999706 212199362 /nfs/dbraw/zinc/19/93/62/212199362.db2.gz MGOJMVKCBIXDJP-LJQANCHMSA-N 0 0 344.430 2.600 50 0 EFAARN Cc1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)n[nH]1 ZINC000020991933 212195146 /nfs/dbraw/zinc/19/51/46/212195146.db2.gz DDXPTOBACHGTKR-UHFFFAOYSA-N 0 0 339.467 2.987 50 0 EFAARN CN(Cc1cnc2ccccc2n1)C(=O)c1cnc2ccccc2n1 ZINC000020993256 212195186 /nfs/dbraw/zinc/19/51/86/212195186.db2.gz AURSWDWWCQDFIA-UHFFFAOYSA-N 0 0 329.363 2.845 50 0 EFAARN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(NC2CC2)nc1 ZINC000020918590 212188730 /nfs/dbraw/zinc/18/87/30/212188730.db2.gz XCKRSFOROIYGLZ-HNNXBMFYSA-N 0 0 339.395 2.616 50 0 EFAARN CN1O[C@@H](c2ccccn2)C[C@@H]1[C@H]1C[C@@H](c2ccccn2)ON1C ZINC000238950286 242952266 /nfs/dbraw/zinc/95/22/66/242952266.db2.gz XMGVSBZNCGEFPA-TVFCKZIOSA-N 0 0 326.400 2.530 50 0 EFAARN O=C(NCc1nnc2ccc(-c3ccsc3)nn21)[C@H]1CC=CCC1 ZINC000239578957 242957361 /nfs/dbraw/zinc/95/73/61/242957361.db2.gz DCJLFRGBIIHOPH-LBPRGKRZSA-N 0 0 339.424 2.825 50 0 EFAARN O=C(NC[C@@H](c1ccsc1)N1CCOCC1)NC1CCCCC1 ZINC000020950417 212193796 /nfs/dbraw/zinc/19/37/96/212193796.db2.gz CNSFWRWLEGRDQH-INIZCTEOSA-N 0 0 337.489 2.753 50 0 EFAARN CCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000020869048 212180423 /nfs/dbraw/zinc/18/04/23/212180423.db2.gz RTWQYBBKKUVNKI-QGZVFWFLSA-N 0 0 346.471 2.802 50 0 EFAARN CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000244691883 243060153 /nfs/dbraw/zinc/06/01/53/243060153.db2.gz JKTTVSAZJTVIHQ-MRXNPFEDSA-N 0 0 349.862 2.681 50 0 EFAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-c1ncc[nH]1 ZINC000244691776 243060934 /nfs/dbraw/zinc/06/09/34/243060934.db2.gz JJENKXTWQHCJPP-DEYYWGMASA-N 0 0 348.406 2.714 50 0 EFAARN CCc1cccc(C)c1N1C[C@@H](C(=O)NCc2cccnc2)CC1=O ZINC000020865343 212178870 /nfs/dbraw/zinc/17/88/70/212178870.db2.gz UKFUITLPLNXJQO-KRWDZBQOSA-N 0 0 337.423 2.622 50 0 EFAARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)c(F)c1 ZINC000243900919 243029934 /nfs/dbraw/zinc/02/99/34/243029934.db2.gz AXOBWVWLWXPHLG-JKIFEVAISA-N 0 0 348.805 2.986 50 0 EFAARN CCCc1cc(CN(C)Cc2nc(Cc3ccccc3)no2)[nH]n1 ZINC000020858530 212177478 /nfs/dbraw/zinc/17/74/78/212177478.db2.gz KGHINSLGOSCLOA-UHFFFAOYSA-N 0 0 325.416 2.968 50 0 EFAARN CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)Cc1noc(C2CC2)n1 ZINC000244574927 243041847 /nfs/dbraw/zinc/04/18/47/243041847.db2.gz CTRFZJSKUPPTAL-UHFFFAOYSA-N 0 0 346.431 2.959 50 0 EFAARN CCc1nc(CNC(=O)c2ccccc2OC(F)(F)C(F)F)no1 ZINC000244633126 243046548 /nfs/dbraw/zinc/04/65/48/243046548.db2.gz FXCTVOFHKYLUMF-UHFFFAOYSA-N 0 0 347.268 2.799 50 0 EFAARN CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2cnc(C)cc2C)c1C ZINC000244633185 243046687 /nfs/dbraw/zinc/04/66/87/243046687.db2.gz FYQPFHPBLWDBJM-CYBMUJFWSA-N 0 0 342.443 2.982 50 0 EFAARN CN(CC(=O)Nc1ccn(C)n1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000244626781 243048294 /nfs/dbraw/zinc/04/82/94/243048294.db2.gz FSSJENUVDWYZSY-LJQANCHMSA-N 0 0 326.444 2.658 50 0 EFAARN CN(CC(=O)Nc1ccn(C)n1)C[C@]1(c2ccccc2)CC1(C)C ZINC000244626780 243048529 /nfs/dbraw/zinc/04/85/29/243048529.db2.gz FSSJENUVDWYZSY-IBGZPJMESA-N 0 0 326.444 2.658 50 0 EFAARN O=C(CCCn1ccnc1)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 ZINC000244673588 243053421 /nfs/dbraw/zinc/05/34/21/243053421.db2.gz HSAZTLOLHAPMEQ-YEWDVWPNSA-N 0 0 349.381 2.570 50 0 EFAARN Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000244685623 243057040 /nfs/dbraw/zinc/05/70/40/243057040.db2.gz ITPJEZSURVRCAJ-AWEZNQCLSA-N 0 0 328.372 2.708 50 0 EFAARN Cn1cc([C@H](Nc2cccc(C(F)(F)F)n2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244748571 243077092 /nfs/dbraw/zinc/07/70/92/243077092.db2.gz OJWAUAJKXOGTAV-OLUVUFQESA-N 0 0 326.322 2.758 50 0 EFAARN CCc1nc(C)c(CNC(=O)CCc2[nH]nc3c2CCCC3)s1 ZINC000244816874 243084741 /nfs/dbraw/zinc/08/47/41/243084741.db2.gz SQBHBITZPTZMNH-UHFFFAOYSA-N 0 0 332.473 2.865 50 0 EFAARN CNc1nc(CN2CCC(Cc3noc(C4CC4)n3)CC2)cs1 ZINC000244816889 243086400 /nfs/dbraw/zinc/08/64/00/243086400.db2.gz SQKWQOGKXDKFQC-UHFFFAOYSA-N 0 0 333.461 2.900 50 0 EFAARN O[C@H]1C[C@@H](c2cc(NCCOCc3ccc(Cl)cc3)ncn2)C1 ZINC000244816776 243086795 /nfs/dbraw/zinc/08/67/95/243086795.db2.gz SODGVQKPEBWXNP-OTVXOJSOSA-N 0 0 333.819 2.997 50 0 EFAARN CC(C)n1ccnc1C1CCN([C@@H](C)C(=O)Nc2nncs2)CC1 ZINC000244828616 243089520 /nfs/dbraw/zinc/08/95/20/243089520.db2.gz TZJQLXUQUFFWSK-LBPRGKRZSA-N 0 0 348.476 2.522 50 0 EFAARN O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccnc2ccccc21 ZINC000244873104 243092247 /nfs/dbraw/zinc/09/22/47/243092247.db2.gz WKDBOCFYKDOTBK-NBQZKYEYSA-N 0 0 347.418 2.742 50 0 EFAARN CC(C)(C)c1csc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000244874529 243094625 /nfs/dbraw/zinc/09/46/25/243094625.db2.gz XCXRCRHMTLPSNM-LBPRGKRZSA-N 0 0 347.488 2.982 50 0 EFAARN COc1c2c(cc3c1[C@@H](CC(=O)c1cccnc1)N(C)CC3)OCO2 ZINC000020758918 212170194 /nfs/dbraw/zinc/17/01/94/212170194.db2.gz BNFFMDQVYXJISJ-CQSZACIVSA-N 0 0 340.379 2.621 50 0 biogenic EFAARN COc1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c(C)c1 ZINC000244882805 243097715 /nfs/dbraw/zinc/09/77/15/243097715.db2.gz XZGNFWJIEKQUMU-GPMSIDNRSA-N 0 0 340.423 2.511 50 0 EFAARN O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000244887892 243101835 /nfs/dbraw/zinc/10/18/35/243101835.db2.gz YQEAJPBLDMHKNX-FHWLQOOXSA-N 0 0 337.419 2.734 50 0 EFAARN CNc1cc([C@H]2C[C@@H](NC(=O)c3ccc4ncsc4c3)C2)ncn1 ZINC000244718689 243067967 /nfs/dbraw/zinc/06/79/67/243067967.db2.gz LPAJOJCYRUNUPW-TXEJJXNPSA-N 0 0 339.424 2.804 50 0 EFAARN CNc1cc([C@H]2C[C@@H](NC(=O)C3(c4ccccc4F)CC3)C2)ncn1 ZINC000244741950 243073089 /nfs/dbraw/zinc/07/30/89/243073089.db2.gz NZNBXYHPNGUNBQ-BETUJISGSA-N 0 0 340.402 2.751 50 0 EFAARN Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc21 ZINC000020734471 212166426 /nfs/dbraw/zinc/16/64/26/212166426.db2.gz PEXODIWJPZEVDY-UHFFFAOYSA-N 0 0 343.427 2.871 50 0 EFAARN CC(C)NC(=O)CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000020761798 212170407 /nfs/dbraw/zinc/17/04/07/212170407.db2.gz WRMNEPYMFDNDSH-UHFFFAOYSA-N 0 0 342.443 2.540 50 0 biogenic EFAARN O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000020767093 212169688 /nfs/dbraw/zinc/16/96/88/212169688.db2.gz DQWHQCKJKFWGRA-UHFFFAOYSA-N 0 0 345.393 2.721 50 0 EFAARN COc1ccccc1N1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000020775759 212169077 /nfs/dbraw/zinc/16/90/77/212169077.db2.gz 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212152327 /nfs/dbraw/zinc/15/23/27/212152327.db2.gz VSDBNACEXGDMCX-UHFFFAOYSA-N 0 0 335.473 2.922 50 0 EFAARN CCn1cc(Cl)c(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000020602679 212152257 /nfs/dbraw/zinc/15/22/57/212152257.db2.gz GIEFZBDVMKQTQB-UHFFFAOYSA-N 0 0 341.864 2.994 50 0 EFAARN OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1Cc1ccccc1F ZINC000020599383 212150919 /nfs/dbraw/zinc/15/09/19/212150919.db2.gz HFHLJYCBJLBHSO-GOSISDBHSA-N 0 0 344.430 2.600 50 0 EFAARN Cc1cc(C)n(CCCN(C)c2ncc(C)c(-c3ccnn3C)n2)n1 ZINC000020586542 212150034 /nfs/dbraw/zinc/15/00/34/212150034.db2.gz CFFHBQSAYARGFX-UHFFFAOYSA-N 0 0 339.447 2.525 50 0 EFAARN CC(C)N1C[C@H](c2nc(-c3ccc4c(c3)OCCO4)c[nH]2)CC1=O ZINC000020587279 212149650 /nfs/dbraw/zinc/14/96/50/212149650.db2.gz TVQMXOFMISMCFL-CYBMUJFWSA-N 0 0 327.384 2.572 50 0 EFAARN COCc1nc2ccccc2n1CCc1noc(C(F)(F)F)n1 ZINC000076556507 216791134 /nfs/dbraw/zinc/79/11/34/216791134.db2.gz BASNTIULTADSLS-UHFFFAOYSA-N 0 0 326.278 2.827 50 0 EFAARN 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/nfs/dbraw/zinc/00/20/10/212002010.db2.gz IDKDHGZNROYSMX-QGZVFWFLSA-N 0 0 341.459 2.819 50 0 EFAARN Cc1c(NC(=O)Cc2cccc(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000017154657 211957239 /nfs/dbraw/zinc/95/72/39/211957239.db2.gz RYLKKFSADPOVAN-UHFFFAOYSA-N 0 0 335.407 2.974 50 0 EFAARN O=C1C2=C(CN1Cc1cccs1)NC(=O)N[C@H]2c1ccc(F)cc1 ZINC000016819020 211936745 /nfs/dbraw/zinc/93/67/45/211936745.db2.gz KVNZJBZCAXJHKY-HNNXBMFYSA-N 0 0 343.383 2.538 50 0 EFAARN CSc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 ZINC000016735381 211931851 /nfs/dbraw/zinc/93/18/51/211931851.db2.gz YGUUDJKBWFAALY-LCYFTJDESA-N 0 0 341.417 2.681 50 0 EFAARN CCCCN(C)S(=O)(=O)c1cc(Br)ccc1OC ZINC000016579317 211914450 /nfs/dbraw/zinc/91/44/50/211914450.db2.gz IQGBGIZGIKGRLG-UHFFFAOYSA-N 0 0 336.251 2.878 50 0 EFAARN CNc1ncc(-c2nnnn2-c2ccccc2)c(-c2cccs2)n1 ZINC000016189498 211888932 /nfs/dbraw/zinc/88/89/32/211888932.db2.gz HASXIFPLJKXPKX-UHFFFAOYSA-N 0 0 335.396 2.890 50 0 EFAARN COCCn1ccc2c1cccc2C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000079192901 217200151 /nfs/dbraw/zinc/20/01/51/217200151.db2.gz IZMLJEQMZRMOBO-CQSZACIVSA-N 0 0 330.428 2.975 50 0 biogenic EFAARN COC(=O)CC1CCN(C(=O)c2cn(C)c3ccc(OC)cc23)CC1 ZINC000079480538 217230607 /nfs/dbraw/zinc/23/06/07/217230607.db2.gz UEIGRNBCBUGOGW-UHFFFAOYSA-N 0 0 344.411 2.602 50 0 EFAARN CN(Cc1ccccc1)C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000079486171 217231130 /nfs/dbraw/zinc/23/11/30/217231130.db2.gz MSBMEVZXGLSHKS-UHFFFAOYSA-N 0 0 327.432 2.672 50 0 EFAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccc2c(c1)OCC2 ZINC000079483809 217231371 /nfs/dbraw/zinc/23/13/71/217231371.db2.gz SHLXSXWFSVDCIQ-UHFFFAOYSA-N 0 0 340.379 2.770 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)c2nc(C)sc2C)n1 ZINC000079484593 217231581 /nfs/dbraw/zinc/23/15/81/217231581.db2.gz DPXYBWXUXXXLLI-UHFFFAOYSA-N 0 0 325.415 2.574 50 0 EFAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@@H](C(C)C)SCC(=O)N2 ZINC000079483280 217231704 /nfs/dbraw/zinc/23/17/04/217231704.db2.gz JXVDWZDUCDAJPV-GXFFZTMASA-N 0 0 343.474 2.583 50 0 EFAARN O=C(CCc1ccc2c(c1)CCO2)Nc1cccc(-c2nc[nH]n2)c1 ZINC000079485412 217231777 /nfs/dbraw/zinc/23/17/77/217231777.db2.gz CABKKTXFVTYZLV-UHFFFAOYSA-N 0 0 334.379 2.978 50 0 EFAARN COc1cccc(-c2nn3c(nnc3-c3cnn(C)c3C)s2)c1 ZINC000079488906 217232804 /nfs/dbraw/zinc/23/28/04/217232804.db2.gz QVIFJYFRFOBQRP-UHFFFAOYSA-N 0 0 326.385 2.570 50 0 EFAARN CCOC(=O)C[C@H](c1c(C)[nH][nH]c1=O)c1ccc(OC)c(OC)c1 ZINC000079490402 217233304 /nfs/dbraw/zinc/23/33/04/217233304.db2.gz SWFWBLBMOBGPPC-LBPRGKRZSA-N 0 0 334.372 2.526 50 0 EFAARN COc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1 ZINC000015841790 211862210 /nfs/dbraw/zinc/86/22/10/211862210.db2.gz CKCYBFJXBPLEAT-UHFFFAOYSA-N 0 0 340.404 2.995 50 0 EFAARN COc1cc(CCC(=O)Nc2nc3ccc(OC)cc3s2)on1 ZINC000079493485 217234132 /nfs/dbraw/zinc/23/41/32/217234132.db2.gz CIJJQHDHEQOHBN-UHFFFAOYSA-N 0 0 333.369 2.873 50 0 EFAARN COCCn1cc(CCCC(=O)Nc2ccn(C)n2)c2ccccc21 ZINC000079502152 217235040 /nfs/dbraw/zinc/23/50/40/217235040.db2.gz XEVQBVGXHAGIPV-UHFFFAOYSA-N 0 0 340.427 2.983 50 0 EFAARN CC1(C)C[C@H](NC(=O)c2cccc(Nc3ncccn3)c2)CCO1 ZINC000079475436 217229343 /nfs/dbraw/zinc/22/93/43/217229343.db2.gz YEXWSQLVOXBJEB-OAHLLOKOSA-N 0 0 326.400 2.908 50 0 EFAARN Cn1ccc2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc21 ZINC000079501165 217235394 /nfs/dbraw/zinc/23/53/94/217235394.db2.gz WAOPDOBGUUJZFX-UHFFFAOYSA-N 0 0 348.450 2.574 50 0 EFAARN CC[C@H](Oc1ccccc1F)C(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000015838960 211860331 /nfs/dbraw/zinc/86/03/31/211860331.db2.gz HIEVZFGOBDOFOM-HNNXBMFYSA-N 0 0 342.330 2.564 50 0 EFAARN O=C(Oc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015574787 211831241 /nfs/dbraw/zinc/83/12/41/211831241.db2.gz NPWYZNGCZSVUJK-UHFFFAOYSA-N 0 0 345.420 2.693 50 0 EFAARN O=C(NCCN1CCOCC1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344987 217299019 /nfs/dbraw/zinc/29/90/19/217299019.db2.gz HTRAKACYRBBFDW-HUUCEWRRSA-N 0 0 343.254 2.545 50 0 EFAARN O=C(Nc1ccccc1F)c1c2c(sc1-n1cnnn1)CCC2 ZINC000036354919 284370942 /nfs/dbraw/zinc/37/09/42/284370942.db2.gz 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/nfs/dbraw/zinc/38/83/87/284388387.db2.gz OPJPVESTHWGHLN-GFCCVEGCSA-N 0 0 326.377 2.785 50 0 EFAARN O=C(Nc1cnc2n1CCCC2)c1ccc(C(F)(F)F)[nH]c1=O ZINC000067847692 284393141 /nfs/dbraw/zinc/39/31/41/284393141.db2.gz NGSZKMZHQXZJDM-UHFFFAOYSA-N 0 0 326.278 2.591 50 0 EFAARN O=C(c1ccc(Cl)cc1)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000019744917 296208996 /nfs/dbraw/zinc/20/89/96/296208996.db2.gz BWAUQKLUMWZLFB-INIZCTEOSA-N 0 0 328.799 2.523 50 0 EFAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(OC(F)F)c1 ZINC000082096243 217462670 /nfs/dbraw/zinc/46/26/70/217462670.db2.gz WYSRFKWSESFNMJ-AWEZNQCLSA-N 0 0 340.370 2.761 50 0 EFAARN CC(C)c1noc([C@@H]2CCCN2C(=O)Cc2cn3ccsc3n2)n1 ZINC000082092429 217462878 /nfs/dbraw/zinc/46/28/78/217462878.db2.gz IGPCIPJXPXZYDV-LBPRGKRZSA-N 0 0 345.428 2.808 50 0 EFAARN OCc1ccc(-c2nccn2CCc2noc(-c3ccccc3)n2)o1 ZINC000082121484 217471380 /nfs/dbraw/zinc/47/13/80/217471380.db2.gz CCYYTDSUTYQADT-UHFFFAOYSA-N 0 0 336.351 2.928 50 0 EFAARN COc1ccccc1OC1CN(C(=O)c2ccccc2C(C)=O)C1 ZINC000082148562 217478811 /nfs/dbraw/zinc/47/88/11/217478811.db2.gz YLHBBVPUSZOVAW-UHFFFAOYSA-N 0 0 325.364 2.801 50 0 EFAARN O=C(c1ncoc1C1CC1)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000082157476 217479593 /nfs/dbraw/zinc/47/95/93/217479593.db2.gz DJJPIFGYHRPFCW-OAHLLOKOSA-N 0 0 327.384 2.768 50 0 EFAARN O=C(C1CCOCC1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000082156546 217479804 /nfs/dbraw/zinc/47/98/04/217479804.db2.gz FNXLQQKDUWIISL-CQSZACIVSA-N 0 0 327.428 2.771 50 0 EFAARN Cc1nn(C)cc1CN(C)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014249897 211722730 /nfs/dbraw/zinc/72/27/30/211722730.db2.gz BEWRXNIXCIYNLR-UHFFFAOYSA-N 0 0 335.473 2.748 50 0 EFAARN Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)c2ccc(F)cc2n1 ZINC000082137689 217476298 /nfs/dbraw/zinc/47/62/98/217476298.db2.gz FQCALSIKQMKUAG-ZDUSSCGKSA-N 0 0 329.375 2.552 50 0 EFAARN COc1cc2c(cc1OC)CN(C(=O)c1nc(C)sc1C)CC2 ZINC000082316633 217485438 /nfs/dbraw/zinc/48/54/38/217485438.db2.gz CTPFWIBRAPXYHH-UHFFFAOYSA-N 0 0 332.425 2.976 50 0 EFAARN CCOC(=O)c1nnc2c(-c3ccccc3OC)c(C)nn2c1C ZINC000013945692 211660577 /nfs/dbraw/zinc/66/05/77/211660577.db2.gz YJKRLSMNNPHKAL-UHFFFAOYSA-N 0 0 326.356 2.593 50 0 EFAARN Cc1occc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000013955146 211660414 /nfs/dbraw/zinc/66/04/14/211660414.db2.gz VUBAVZHPISJWDD-ZDUSSCGKSA-N 0 0 328.368 2.749 50 0 EFAARN C[C@H](CCc1ccccc1)NC(=O)COCC(=O)Nc1ccccc1 ZINC000013941668 211658776 /nfs/dbraw/zinc/65/87/76/211658776.db2.gz LDHIQNHREQIEMO-MRXNPFEDSA-N 0 0 340.423 2.779 50 0 EFAARN Cc1nnc(SCC(=O)N2CCc3ccccc32)n1CC(C)C ZINC000013942640 211658450 /nfs/dbraw/zinc/65/84/50/211658450.db2.gz LDTXPDYRCSCKIV-UHFFFAOYSA-N 0 0 330.457 2.924 50 0 EFAARN Cc1ccc(CNC(=O)Cn2cnc(-c3ccccc3)cc2=O)cc1 ZINC000013806314 211641912 /nfs/dbraw/zinc/64/19/12/211641912.db2.gz NQZRLFWIHHZESB-UHFFFAOYSA-N 0 0 333.391 2.535 50 0 EFAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC000013806227 211642551 /nfs/dbraw/zinc/64/25/51/211642551.db2.gz CEVPFYWSMUKWLJ-HNNXBMFYSA-N 0 0 345.402 2.888 50 0 EFAARN Cc1cccc(Cn2cnc(NC(=S)NCc3ccco3)n2)c1 ZINC000013773063 211635845 /nfs/dbraw/zinc/63/58/45/211635845.db2.gz UUBTXSHLBWBAGE-UHFFFAOYSA-N 0 0 327.413 2.714 50 0 EFAARN COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccc3F)cc2c1 ZINC000013758291 211632401 /nfs/dbraw/zinc/63/24/01/211632401.db2.gz NAJJGZLKCKAJMN-UHFFFAOYSA-N 0 0 340.354 2.948 50 0 EFAARN COc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)c(OC)c1 ZINC000013728990 211624323 /nfs/dbraw/zinc/62/43/23/211624323.db2.gz CJYNIMPUJGUKPO-UHFFFAOYSA-N 0 0 339.380 2.932 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000085557171 217675908 /nfs/dbraw/zinc/67/59/08/217675908.db2.gz BYPSWBLALGBNDM-UHFFFAOYSA-N 0 0 347.802 2.822 50 0 EFAARN COC(=O)c1ccc(C(=O)NCC[C@H](O)c2cc(C)oc2C)cc1 ZINC000085561457 217678289 /nfs/dbraw/zinc/67/82/89/217678289.db2.gz AMIFBUGEXFXGKV-INIZCTEOSA-N 0 0 331.368 2.537 50 0 EFAARN O=C(NC[C@H](Cc1cccc(F)c1)n1cccc1)c1ccc[nH]c1=O ZINC000085467820 217671982 /nfs/dbraw/zinc/67/19/82/217671982.db2.gz YQQVOVICADRSMH-INIZCTEOSA-N 0 0 339.370 2.529 50 0 EFAARN Cc1cc(C)nc(NCCC(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000085876551 217686254 /nfs/dbraw/zinc/68/62/54/217686254.db2.gz PAJWRLCAGQATAC-UHFFFAOYSA-N 0 0 337.427 2.736 50 0 biogenic EFAARN CSc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1 ZINC000013669606 211602914 /nfs/dbraw/zinc/60/29/14/211602914.db2.gz UOIWVICMXUTVFC-UHFFFAOYSA-N 0 0 336.482 2.823 50 0 EFAARN C[C@@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NC2CCCC2)C1=O ZINC000013655168 211599192 /nfs/dbraw/zinc/59/91/92/211599192.db2.gz MFKHZGRXNAKSFY-BBRMVZONSA-N 0 0 343.427 2.507 50 0 EFAARN COC(=O)c1cc(I)ccc1Br ZINC000005719953 284531245 /nfs/dbraw/zinc/53/12/45/284531245.db2.gz ADOJHDXDOIEMNB-UHFFFAOYSA-N 0 0 340.942 2.840 50 0 EFAARN COc1cccc(NC(=O)CSc2nc(Cl)nc3[nH]cnc32)c1 ZINC000013571593 211583570 /nfs/dbraw/zinc/58/35/70/211583570.db2.gz WXIHGGYJENHXRE-UHFFFAOYSA-N 0 0 349.803 2.746 50 0 EFAARN Cc1nc([C@H]2CCOC2)cc(N(C)Cc2[nH]nc3c2CCCCC3)n1 ZINC000426383831 247272016 /nfs/dbraw/zinc/27/20/16/247272016.db2.gz LRIQNLSGYBMKJZ-AWEZNQCLSA-N 0 0 341.459 2.917 50 0 EFAARN Cn1c(=O)cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c2ccccc21 ZINC000426383304 247272340 /nfs/dbraw/zinc/27/23/40/247272340.db2.gz OOFGTZSXEHICAN-INIZCTEOSA-N 0 0 348.402 2.832 50 0 EFAARN COc1cccc2c1OCCCN(C(=O)c1c(Cl)c(C)nn1C)C2 ZINC000426387300 247272674 /nfs/dbraw/zinc/27/26/74/247272674.db2.gz OUWZSBHQDWAMOY-UHFFFAOYSA-N 0 0 349.818 2.815 50 0 EFAARN NC(=O)c1sccc1-c1cccc(C(=O)N[C@H]2CC[C@H](O)CC2)c1 ZINC000426388350 247274694 /nfs/dbraw/zinc/27/46/94/247274694.db2.gz CHNDTPBEGZNTFI-HDJSIYSDSA-N 0 0 344.436 2.547 50 0 EFAARN COc1cc(C(=O)N2CCC[C@H](c3ncon3)C2)c2ccccc2n1 ZINC000426388119 247274793 /nfs/dbraw/zinc/27/47/93/247274793.db2.gz FVAPPCJUWYVQMC-LBPRGKRZSA-N 0 0 338.367 2.646 50 0 EFAARN Cc1ncsc1CCCNC(=O)N(C)CCc1c(C)n[nH]c1C ZINC000426396084 247274886 /nfs/dbraw/zinc/27/48/86/247274886.db2.gz YZWXYJAIJWUMBN-UHFFFAOYSA-N 0 0 335.477 2.608 50 0 EFAARN Cc1cc(C)n([C@H](C)CNC(=O)c2ccc(-c3ncccn3)cc2)n1 ZINC000426399252 247275093 /nfs/dbraw/zinc/27/50/93/247275093.db2.gz PSNNOKRHCOQYQW-OAHLLOKOSA-N 0 0 335.411 2.948 50 0 EFAARN COCCN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CC12CCCCC2 ZINC000426401515 247275190 /nfs/dbraw/zinc/27/51/90/247275190.db2.gz AIZYOGXSAAFWIR-INIZCTEOSA-N 0 0 334.464 2.549 50 0 EFAARN Cc1nc(C2CCN(C(=O)Nc3cnn(C(C)C)c3)CC2)cc(=O)[nH]1 ZINC000426403437 247275396 /nfs/dbraw/zinc/27/53/96/247275396.db2.gz CDSQZMJZXLMQRB-UHFFFAOYSA-N 0 0 344.419 2.680 50 0 EFAARN C[C@H](C(=O)N(Cc1ccsc1)C1CCCC1)N1CCN(C)CC1 ZINC000426399437 247275543 /nfs/dbraw/zinc/27/55/43/247275543.db2.gz QOFFEPQAKKSQKF-OAHLLOKOSA-N 0 0 335.517 2.655 50 0 EFAARN CCCC[C@H]1C=CCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1 ZINC000426425138 247279047 /nfs/dbraw/zinc/27/90/47/247279047.db2.gz CWFKCIYUDGLLJI-SFHVURJKSA-N 0 0 341.455 2.891 50 0 EFAARN Cc1ccc(F)cc1-c1cccc(C(=O)N[C@H]2CCCNC2=O)c1 ZINC000426423803 247279070 /nfs/dbraw/zinc/27/90/70/247279070.db2.gz WHIBPMOFRVCSMK-KRWDZBQOSA-N 0 0 326.371 2.810 50 0 EFAARN Cc1ccc(F)cc1-c1cccc(C(=O)N[C@@H]2CCCNC2=O)c1 ZINC000426423804 247279111 /nfs/dbraw/zinc/27/91/11/247279111.db2.gz WHIBPMOFRVCSMK-QGZVFWFLSA-N 0 0 326.371 2.810 50 0 EFAARN Cc1cc(-c2cccc(C(=O)NCCCn3ccnn3)c2)cc(C)n1 ZINC000426430706 247280115 /nfs/dbraw/zinc/28/01/15/247280115.db2.gz KMXPQSPYECWBFP-UHFFFAOYSA-N 0 0 335.411 2.777 50 0 EFAARN Cc1noc(C)c1CN(C)C(=O)c1ccc(-c2cnn(C)c2N)cc1 ZINC000426473343 247283239 /nfs/dbraw/zinc/28/32/39/247283239.db2.gz CDRVBNVSEPDSKG-UHFFFAOYSA-N 0 0 339.399 2.546 50 0 EFAARN COc1nccnc1-c1ccc(C(=O)NCCc2cccc(C)n2)cc1 ZINC000426465171 247283273 /nfs/dbraw/zinc/28/32/73/247283273.db2.gz JKNJKDGDMSAVTE-UHFFFAOYSA-N 0 0 348.406 2.828 50 0 EFAARN C[C@@H](CNC(=O)c1cc(-n2cccn2)ccc1Cl)n1ccnc1 ZINC000426465313 247283807 /nfs/dbraw/zinc/28/38/07/247283807.db2.gz VKHSLZAUWMDALE-LBPRGKRZSA-N 0 0 329.791 2.713 50 0 EFAARN Cc1cc(Cl)ccc1-c1cccc(C(=O)N(C)C[C@H](O)CO)c1 ZINC000426477991 247284915 /nfs/dbraw/zinc/28/49/15/247284915.db2.gz JTGIFRBZFJTEFZ-INIZCTEOSA-N 0 0 333.815 2.741 50 0 EFAARN O=C(c1cccc(-c2ccc(Cl)cc2F)c1)N1CC[C@@](O)(CO)C1 ZINC000426479774 247284930 /nfs/dbraw/zinc/28/49/30/247284930.db2.gz RRUBFOZHDQDKGG-SFHVURJKSA-N 0 0 349.789 2.715 50 0 EFAARN COc1ccccc1N1CCN(C[C@H]2CCOC(C)(C)C2)CC1=O ZINC000426484426 247285030 /nfs/dbraw/zinc/28/50/30/247285030.db2.gz JUBZXXYIFZYFRL-HNNXBMFYSA-N 0 0 332.444 2.549 50 0 EFAARN O=C([O-])Cn1ccc([C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000426477475 247285221 /nfs/dbraw/zinc/28/52/21/247285221.db2.gz XZUVWJPXXBKNOZ-OAHLLOKOSA-N 0 0 338.411 2.829 50 0 EFAARN O=C([O-])Cn1ccc([C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000426477474 247285252 /nfs/dbraw/zinc/28/52/52/247285252.db2.gz XZUVWJPXXBKNOZ-HNNXBMFYSA-N 0 0 338.411 2.829 50 0 EFAARN Cc1nc([C@@H]2CCOC2)cc(N2CCC(Oc3cccnc3)CC2)n1 ZINC000426489361 247286558 /nfs/dbraw/zinc/28/65/58/247286558.db2.gz KPRDVIRLNSNTBX-OAHLLOKOSA-N 0 0 340.427 2.732 50 0 EFAARN C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2ccc(Cl)cn2)cc1 ZINC000426489662 247286586 /nfs/dbraw/zinc/28/65/86/247286586.db2.gz PSMYRIPCEODXKF-GFCCVEGCSA-N 0 0 343.814 2.705 50 0 EFAARN CC(C)(C)c1ccc(OC[C@@H](O)CNC(=O)NCc2ccco2)cc1 ZINC000426500328 247288660 /nfs/dbraw/zinc/28/86/60/247288660.db2.gz UKJSNUHVVYEHJE-HNNXBMFYSA-N 0 0 346.427 2.816 50 0 EFAARN O=C(NCCSc1c[nH]nn1)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426503089 247289255 /nfs/dbraw/zinc/28/92/55/247289255.db2.gz TWBOEZZBJPPBKI-GOSISDBHSA-N 0 0 342.468 2.915 50 0 EFAARN COc1ccc(OC)c(CNC(=O)NC2(CO)CCCCCC2)c1 ZINC000426510211 247290572 /nfs/dbraw/zinc/29/05/72/247290572.db2.gz UWXSFRSNUIYWFC-UHFFFAOYSA-N 0 0 336.432 2.588 50 0 EFAARN Cc1nn(C)c2nc(C)cc(C(=O)N(C)Cc3cc(C(C)C)no3)c12 ZINC000426567185 247291965 /nfs/dbraw/zinc/29/19/65/247291965.db2.gz ZLNKBYHSQNZLNG-UHFFFAOYSA-N 0 0 341.415 2.969 50 0 EFAARN Cc1cncnc1C1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000426563550 247292486 /nfs/dbraw/zinc/29/24/86/247292486.db2.gz VWRBEKVTEBREDO-KRWDZBQOSA-N 0 0 337.423 2.742 50 0 EFAARN CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2cnc(N)cn2)cc1 ZINC000426737369 247294707 /nfs/dbraw/zinc/29/47/07/247294707.db2.gz ILHBAHQKMCJLRL-MRXNPFEDSA-N 0 0 340.427 2.757 50 0 EFAARN Cc1cccnc1CCNC(=O)N(C)C[C@@H]1Cc2ccccc2O1 ZINC000426359990 247268177 /nfs/dbraw/zinc/26/81/77/247268177.db2.gz SWBOZQVWOFNUET-INIZCTEOSA-N 0 0 325.412 2.578 50 0 EFAARN CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2ncc(F)c(NC)n2)cc1 ZINC000426370777 247268749 /nfs/dbraw/zinc/26/87/49/247268749.db2.gz QNKWGMYKFKRORL-OAHLLOKOSA-N 0 0 340.402 2.927 50 0 EFAARN O=C(c1cc(Cl)c[nH]1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000426370330 247269643 /nfs/dbraw/zinc/26/96/43/247269643.db2.gz IBCDEPOBPTXAGJ-UHFFFAOYSA-N 0 0 344.802 2.707 50 0 EFAARN Cc1ccc(CCCNC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000426377839 247271328 /nfs/dbraw/zinc/27/13/28/247271328.db2.gz BRMKZLYPKLFUKI-IBGZPJMESA-N 0 0 345.443 2.554 50 0 EFAARN CCOc1ccc2ccccc2c1C(=O)NCCCN1CCCC1=O ZINC000013325952 211546269 /nfs/dbraw/zinc/54/62/69/211546269.db2.gz QMNQFBBEICYRBE-UHFFFAOYSA-N 0 0 340.423 2.981 50 0 EFAARN 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O=C(Cc1noc2ccccc12)NCCc1nc(-c2ccccc2)n[nH]1 ZINC000163747856 226014826 /nfs/dbraw/zinc/01/48/26/226014826.db2.gz DASWATOMPMUFSQ-UHFFFAOYSA-N 0 0 347.378 2.514 50 0 EFAARN C[C@H]1CC(C)(C)N(C(=O)CN2CCN(C)CC2)c2ccc(F)cc21 ZINC000169681439 226555553 /nfs/dbraw/zinc/55/55/53/226555553.db2.gz MOZJOLXCYXDQSY-AWEZNQCLSA-N 0 0 333.451 2.692 50 0 EFAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000169772854 226569461 /nfs/dbraw/zinc/56/94/61/226569461.db2.gz BZCPXTRMAUGLRX-LLVKDONJSA-N 0 0 338.342 2.694 50 0 EFAARN CCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1=O ZINC000170625346 226665227 /nfs/dbraw/zinc/66/52/27/226665227.db2.gz METFKJWXJQWSAZ-UHFFFAOYSA-N 0 0 337.423 2.939 50 0 EFAARN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ccccn1 ZINC000012319116 544425177 /nfs/dbraw/zinc/42/51/77/544425177.db2.gz VXPQGMPRZQWGQN-LJQANCHMSA-N 0 0 347.422 2.870 50 0 EFAARN Cc1c2c(cc(Br)c1OC[C@](C)(O)CO)CCCC2 ZINC000071766970 544460121 /nfs/dbraw/zinc/46/01/21/544460121.db2.gz 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Cc1nnc2n1C[C@@H](NC(=O)c1cc(Cl)cc3cccnc31)CC2 ZINC000097198020 274872638 /nfs/dbraw/zinc/87/26/38/274872638.db2.gz SGQNMMYTCLLRGW-ZDUSSCGKSA-N 0 0 341.802 2.533 50 0 EFAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccncc4)cc3)nn12 ZINC000012323496 274872919 /nfs/dbraw/zinc/87/29/19/274872919.db2.gz GPKFAFHIHZHFQZ-UHFFFAOYSA-N 0 0 336.380 2.809 50 0 EFAARN O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CCOCC3)ncc21 ZINC000009287270 275021018 /nfs/dbraw/zinc/02/10/18/275021018.db2.gz MVMGNZWFFRKVML-GFCCVEGCSA-N 0 0 345.349 2.504 50 0 EFAARN CC1CCN(CN2c3ccc(Br)cc3C(=O)C2=O)CC1 ZINC000003070840 275940176 /nfs/dbraw/zinc/94/01/76/275940176.db2.gz UKVYHMCGGJPIBA-UHFFFAOYSA-N 0 0 337.217 2.668 50 0 EFAARN CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(c1ncccc1Cl)CC2 ZINC000072419385 276003822 /nfs/dbraw/zinc/00/38/22/276003822.db2.gz YVXVTCBBCVENEU-AWEZNQCLSA-N 0 0 337.851 2.891 50 0 EFAARN CC1(C)CNC(=O)c2[nH]c(CCN3CCCc4ccccc43)nc2C1 ZINC000095381842 276137913 /nfs/dbraw/zinc/13/79/13/276137913.db2.gz CTDUAYTXNKVZRL-UHFFFAOYSA-N 0 0 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CC(=O)N[C@@H](NC(=S)N1CCCCCC1)C(Cl)(Cl)Cl ZINC000013543758 278140767 /nfs/dbraw/zinc/14/07/67/278140767.db2.gz DXGJQSOCXGUEAZ-VIFPVBQESA-N 0 0 346.711 2.569 50 0 EFAARN CC(=O)N[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500197 278151132 /nfs/dbraw/zinc/15/11/32/278151132.db2.gz ZBHPCFVWCHWDCE-FKGJNOFZSA-N 0 0 347.499 2.786 50 0 biogenic EFAARN CC(=O)N[C@H](NC(=S)N1CCCCCC1)C(Cl)(Cl)Cl ZINC000013543760 278176446 /nfs/dbraw/zinc/17/64/46/278176446.db2.gz DXGJQSOCXGUEAZ-SECBINFHSA-N 0 0 346.711 2.569 50 0 EFAARN CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@H](C)CC3 ZINC000005500246 278181495 /nfs/dbraw/zinc/18/14/95/278181495.db2.gz KBMMYNFQWXKFEE-SSDOTTSWSA-N 0 0 330.442 2.737 50 0 EFAARN CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 ZINC000005375245 278204997 /nfs/dbraw/zinc/20/49/97/278204997.db2.gz CGNZMKLWMTZPDV-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN C[C@@H]1CCCc2sc3nc(N4CCOCC4)n4ncnc4c3c21 ZINC000002224603 278526882 /nfs/dbraw/zinc/52/68/82/278526882.db2.gz ZXNADFUYWZNYPR-SNVBAGLBSA-N 0 0 329.429 2.615 50 0 EFAARN C[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1 ZINC000067631115 278617218 /nfs/dbraw/zinc/61/72/18/278617218.db2.gz DWGQGZYQENAHFX-LLVKDONJSA-N 0 0 340.379 2.523 50 0 EFAARN Cc1cc(=O)n2c(n1)NC(Nc1ccc(F)cc1)=N[C@H]2c1ccco1 ZINC000006758589 278625439 /nfs/dbraw/zinc/62/54/39/278625439.db2.gz HUBNYXVAFGRTRI-OAHLLOKOSA-N 0 0 339.330 2.724 50 0 EFAARN CCCCN1CC(=O)N2[C@@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004064326 278695256 /nfs/dbraw/zinc/69/52/56/278695256.db2.gz IEHDTQWBSMOEJN-LRDDRELGSA-N 0 0 325.412 2.625 50 0 biogenic EFAARN Cc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 ZINC000000523206 278779873 /nfs/dbraw/zinc/77/98/73/278779873.db2.gz MHTBIVPOPGBXGP-GDNBJRDFSA-N 0 0 337.379 2.813 50 0 EFAARN Cc1ccccc1[C@H]1NC(=O)NC2=C1C(=O)N(CCc1ccccc1)C2 ZINC000012346094 278968074 /nfs/dbraw/zinc/96/80/74/278968074.db2.gz SMJDHWGYYDNAOF-LJQANCHMSA-N 0 0 347.418 2.688 50 0 EFAARN Cc1ccsc1/C=c1/sc2nc(-c3ccccc3)nn2c1=O ZINC000000199586 278994867 /nfs/dbraw/zinc/99/48/67/278994867.db2.gz OTLXZKUEISPAFG-UKTHLTGXSA-N 0 0 325.418 2.736 50 0 EFAARN Cc1csc2nc(O)c(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c(=O)n12 ZINC000010166694 279049663 /nfs/dbraw/zinc/04/96/63/279049663.db2.gz CNUSAZUMWFVHSP-GXSJLCMTSA-N 0 0 349.456 2.715 50 0 EFAARN Cc1nc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)sc1C ZINC000061718031 279101439 /nfs/dbraw/zinc/10/14/39/279101439.db2.gz GNFMJJUWELAGIX-UHFFFAOYSA-N 0 0 334.426 2.698 50 0 EFAARN Cc1noc2nc3c(c(C(=O)N4Cc5ccccc5[C@@H](O)C4)c12)CCC3 ZINC000082134966 279259429 /nfs/dbraw/zinc/25/94/29/279259429.db2.gz DFQWSIJDAYZVEL-INIZCTEOSA-N 0 0 349.390 2.709 50 0 EFAARN Cc1sc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1C ZINC000023119883 279287011 /nfs/dbraw/zinc/28/70/11/279287011.db2.gz WGEKUUCIDAAPHS-UHFFFAOYSA-N 0 0 339.420 2.571 50 0 EFAARN Cc1sc2ncnc(N3CCC[C@@]4(CN(C)C(=O)O4)C3)c2c1C ZINC000095380136 279288257 /nfs/dbraw/zinc/28/82/57/279288257.db2.gz IURKODDPNXMMGI-MRXNPFEDSA-N 0 0 332.429 2.729 50 0 EFAARN Nc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000000436100 279697585 /nfs/dbraw/zinc/69/75/85/279697585.db2.gz UQIAOINDLAFVMA-BXUZGUMPSA-N 0 0 327.306 2.522 50 0 EFAARN O=C(CN1CCCC1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129559686 279765752 /nfs/dbraw/zinc/76/57/52/279765752.db2.gz ICCKQRCXEBVPQX-OAHLLOKOSA-N 0 0 328.412 2.562 50 0 EFAARN CC(C)[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1NC(=O)N(C)C ZINC000095509445 280016732 /nfs/dbraw/zinc/01/67/32/280016732.db2.gz CIJPTDWCEZLPKR-WCQYABFASA-N 0 0 344.381 2.832 50 0 EFAARN O=C(Nc1nnc([S@](=O)Cc2ccccc2)s1)c1ccco1 ZINC000170622314 280067928 /nfs/dbraw/zinc/06/79/28/280067928.db2.gz YUIQLFVRYVZAEE-JOCHJYFZSA-N 0 0 333.394 2.691 50 0 EFAARN C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000000275629 280175770 /nfs/dbraw/zinc/17/57/70/280175770.db2.gz NMWFIAYQODQVRM-CRJCFHLZSA-N 0 0 348.196 2.672 50 0 EFAARN O=C(c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)N1CCCCC1 ZINC000018247439 280187160 /nfs/dbraw/zinc/18/71/60/280187160.db2.gz QDPWXNYTZXRWEV-CALCHBBNSA-N 0 0 338.407 2.768 50 0 EFAARN Cc1c(=O)c2cccc(C(=O)N[C@@H](C)CO)c2oc1-c1ccccc1 ZINC000008764227 280197883 /nfs/dbraw/zinc/19/78/83/280197883.db2.gz ZQNBRCUGPYCPIF-LBPRGKRZSA-N 0 0 337.375 2.879 50 0 biogenic EFAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCCO)CO2 ZINC000057122086 280259904 /nfs/dbraw/zinc/25/99/04/280259904.db2.gz IHTBUYPMKVNUEL-UHFFFAOYSA-N 0 0 329.396 2.515 50 0 EFAARN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3)cc3c2N1CCC3 ZINC000005154181 280261605 /nfs/dbraw/zinc/26/16/05/280261605.db2.gz SRABAKASUQOECH-UHFFFAOYSA-N 0 0 342.420 2.713 50 0 EFAARN O=C1C[C@H](c2ccc(-n3ccnc3)cc2)c2c(nc3sccn32)CN1 ZINC000065504881 280273676 /nfs/dbraw/zinc/27/36/76/280273676.db2.gz FTYDCJZCUJXZQF-CQSZACIVSA-N 0 0 349.419 2.733 50 0 EFAARN O=C1NC(=O)C(=Cc2cc3c(cc2Br)OCO3)S1 ZINC000012955883 280277543 /nfs/dbraw/zinc/27/75/43/280277543.db2.gz ZKYVGMMEWZRAPH-MBXJOHMKSA-N 0 0 328.143 2.502 50 0 EFAARN O=C1NC(=O)C(=Cc2cc3c(cc2Br)OCO3)S1 ZINC000000973806 280278357 /nfs/dbraw/zinc/27/83/57/280278357.db2.gz ZKYVGMMEWZRAPH-XNWCZRBMSA-N 0 0 328.143 2.502 50 0 EFAARN O=C1NC[C@@H](c2ccc(Cl)cc2)Cc2nc(-c3ccncn3)[nH]c21 ZINC000095368643 280291858 /nfs/dbraw/zinc/29/18/58/280291858.db2.gz ALKJLMQRDIGCGZ-NSHDSACASA-N 0 0 339.786 2.590 50 0 EFAARN Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c2cccc(Cl)c2n1 ZINC000215046134 280331145 /nfs/dbraw/zinc/33/11/45/280331145.db2.gz ZKWQXFMHDMVQCF-MRXNPFEDSA-N 0 0 345.830 2.793 50 0 EFAARN O[C@@H]1CCCOC12CCN(c1nnc(-c3ccccc3)s1)CC2 ZINC000095354424 280426530 /nfs/dbraw/zinc/42/65/30/280426530.db2.gz KYDTVKZAJYMKJF-CQSZACIVSA-N 0 0 331.441 2.715 50 0 EFAARN Cc1ccc(-c2nc3s/c(=C/c4cccs4)c(=O)n3n2)cc1 ZINC000005617968 280729241 /nfs/dbraw/zinc/72/92/41/280729241.db2.gz BUZFGTWSHUFBHZ-UKTHLTGXSA-N 0 0 325.418 2.736 50 0 EFAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NS(C)(=O)=O)cc1 ZINC000091391262 280748524 /nfs/dbraw/zinc/74/85/24/280748524.db2.gz BRTZMIDFSWKGQF-OAHLLOKOSA-N 0 0 333.457 2.743 50 0 EFAARN CC1(C)C[C@H](N2CCN([C@H]3CCOC(C)(C)C3)C2=S)CCO1 ZINC000012296912 281336040 /nfs/dbraw/zinc/33/60/40/281336040.db2.gz BAUALJMLWACTKT-OKILXGFUSA-N 0 0 326.506 2.804 50 0 biogenic EFAARN Cc1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3)C2=C1O ZINC000101298016 281346774 /nfs/dbraw/zinc/34/67/74/281346774.db2.gz ZLDFJLYSSVVVRQ-ZBFHGGJFSA-N 0 0 340.766 2.941 50 0 EFAARN CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(F)c2)n2ncnc2N1 ZINC000013551649 281625567 /nfs/dbraw/zinc/62/55/67/281625567.db2.gz OINVORJROPVTAV-INIZCTEOSA-N 0 0 341.390 2.719 50 0 EFAARN Cc1nnc([C@H]2CCCN2C(=O)c2c(C)nc3ccc(Cl)cn32)[nH]1 ZINC000426373562 282001347 /nfs/dbraw/zinc/00/13/47/282001347.db2.gz BZENBDQBZVKIPH-GFCCVEGCSA-N 0 0 344.806 2.700 50 0 EFAARN CC[C@H]1c2cccn2CCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000077374991 288379076 /nfs/dbraw/zinc/37/90/76/288379076.db2.gz XEIDSLNEHOFSHB-KRWDZBQOSA-N 0 0 345.468 2.558 50 0 EFAARN CN(C)C(=O)C[C@@H](NC(=O)c1c[nH]c2ncccc12)c1ccccc1 ZINC000083844008 288969630 /nfs/dbraw/zinc/96/96/30/288969630.db2.gz DVPYCEFQUGGBOO-MRXNPFEDSA-N 0 0 336.395 2.512 50 0 EFAARN CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(N)=O)cc21 ZINC000003683822 289075561 /nfs/dbraw/zinc/07/55/61/289075561.db2.gz FLEPBVQWQYFDIT-UHFFFAOYSA-N 0 0 338.411 2.502 50 0 biogenic EFAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000023140191 289231389 /nfs/dbraw/zinc/23/13/89/289231389.db2.gz FCBIKCZIAHKSLY-QOKNQOGYSA-N 0 0 340.354 2.793 50 0 EFAARN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000067587791 290281168 /nfs/dbraw/zinc/28/11/68/290281168.db2.gz FPSBZQRLTKPRAJ-CVEARBPZSA-N 0 0 346.858 2.983 50 0 EFAARN Cc1nc(N(C)C)ncc1C(=O)N1CCc2ccc(F)cc2[C@@H]1C ZINC000097815452 293289875 /nfs/dbraw/zinc/28/98/75/293289875.db2.gz OFDZTUNXRKVDHT-LBPRGKRZSA-N 0 0 328.391 2.750 50 0 EFAARN Cc1nc(NC(=O)c2c(C)c(C)sc2-n2cnnn2)sc1C ZINC000044891490 293335194 /nfs/dbraw/zinc/33/51/94/293335194.db2.gz ATLCCKXQTNPHFA-UHFFFAOYSA-N 0 0 334.430 2.666 50 0 EFAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)Nc2nc(N)ccc21 ZINC000095356433 293683040 /nfs/dbraw/zinc/68/30/40/293683040.db2.gz OYYLQRTXMMTNRW-HNNXBMFYSA-N 0 0 333.395 2.940 50 0 EFAARN Cc1oc2c(c1C(=O)N[C@@H]1CCOC3(CCOCC3)C1)C(=O)CCC2 ZINC000077523021 294038577 /nfs/dbraw/zinc/03/85/77/294038577.db2.gz WVDWLBMVJSWJBN-CYBMUJFWSA-N 0 0 347.411 2.565 50 0 EFAARN Cn1c(=O)c2sc3c(c2n(Cc2ccccc2F)c1=O)CCCC3 ZINC000006764606 294138572 /nfs/dbraw/zinc/13/85/72/294138572.db2.gz ATSVLHFSRVEFRS-UHFFFAOYSA-N 0 0 344.411 2.828 50 0 EFAARN Cn1cc(CN(Cc2cc(C(N)=O)oc2C(C)(C)C)C2CC2)cn1 ZINC000244594135 294233302 /nfs/dbraw/zinc/23/33/02/294233302.db2.gz DHAMQJXLLYAVBZ-UHFFFAOYSA-N 0 0 330.432 2.574 50 0 EFAARN C[C@@H]1CN([C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)C[C@@H](C)O1 ZINC000019805915 297073839 /nfs/dbraw/zinc/07/38/39/297073839.db2.gz OBNRQIQGIHDAKK-BBBLOLIVSA-N 0 0 345.698 2.954 50 0 EFAARN COc1cc([C@H]2c3ccccc3NC3=COC(=O)C32)cc2c1OCO2 ZINC000066089374 295020571 /nfs/dbraw/zinc/02/05/71/295020571.db2.gz TYKGGOZJXGMKNA-INIZCTEOSA-N 0 0 337.331 2.792 50 0 EFAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)cc(Cl)c1 ZINC000005180555 295024823 /nfs/dbraw/zinc/02/48/23/295024823.db2.gz ACZKYVDFVNJHJR-ZJUUUORDSA-N 0 0 337.253 2.647 50 0 EFAARN COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000006996937 295155341 /nfs/dbraw/zinc/15/53/41/295155341.db2.gz AJRMYLOBSJXVEB-GOSISDBHSA-N 0 0 340.404 2.604 50 0 EFAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1 ZINC000002469532 295179104 /nfs/dbraw/zinc/17/91/04/295179104.db2.gz HPLHJLUVXZQCBF-GFCCVEGCSA-N 0 0 341.363 2.949 50 0 EFAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)c1 ZINC000002469531 295183009 /nfs/dbraw/zinc/18/30/09/295183009.db2.gz HPLHJLUVXZQCBF-LBPRGKRZSA-N 0 0 341.363 2.949 50 0 EFAARN NC(=O)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000018210198 295194118 /nfs/dbraw/zinc/19/41/18/295194118.db2.gz FURUYWAZCWTJAZ-MNOVXSKESA-N 0 0 328.269 2.781 50 0 EFAARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)NC3)cc1OC ZINC000003878777 295228299 /nfs/dbraw/zinc/22/82/99/295228299.db2.gz IMUSWTWNXRSNCJ-SFHVURJKSA-N 0 0 337.379 2.666 50 0 EFAARN COc1ccc2c(c1)N1C(=O)C[C@H](C)[C@@H]3C4(C[C@]2(C)[C@@]31C)OCCO4 ZINC000100806511 295265368 /nfs/dbraw/zinc/26/53/68/295265368.db2.gz FWIFBGVWIAMUTB-OZOSWLFCSA-N 0 0 343.423 2.861 50 0 EFAARN Nc1c(Br)cnc(Br)c1Br ZINC000029786624 295344660 /nfs/dbraw/zinc/34/46/60/295344660.db2.gz KJTNPANGUADKEB-UHFFFAOYSA-N 0 0 330.805 2.951 50 0 EFAARN O=C(Cc1c[nH]c2cc(F)ccc12)NCCC(=O)N1CCCCCC1 ZINC000069519685 295551766 /nfs/dbraw/zinc/55/17/66/295551766.db2.gz ITXDLMKAZQJHGN-UHFFFAOYSA-N 0 0 345.418 2.758 50 0 EFAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC[C@@H]1c1cccnc1 ZINC000247873266 295559476 /nfs/dbraw/zinc/55/94/76/295559476.db2.gz RWCSMXXDAIEENT-GOSISDBHSA-N 0 0 348.406 2.614 50 0 EFAARN O=C(N1CCOCC1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219342694 295575128 /nfs/dbraw/zinc/57/51/28/295575128.db2.gz BWEBDYANZDNRNE-HNNXBMFYSA-N 0 0 342.411 2.897 50 0 EFAARN C[C@@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)OC(C)(C)OC1=O ZINC000005274397 297392916 /nfs/dbraw/zinc/39/29/16/297392916.db2.gz OGISVPRLALRBSX-DVOMOZLQSA-N 0 0 343.423 2.916 50 0 EFAARN Cc1cc(Br)cc2c1NC(=O)[C@]2(O)N1CCC[C@@H](C)C1 ZINC000015016986 301071076 /nfs/dbraw/zinc/07/10/76/301071076.db2.gz WTFTZFREMWHPBP-PSLIRLAXSA-N 0 0 339.233 2.587 50 0 EFAARN Cc1cc(C)n2ncc([C@H]3CC(=O)Nc4n[nH]c(-c5ccco5)c43)c2n1 ZINC000067604575 301260034 /nfs/dbraw/zinc/26/00/34/301260034.db2.gz SXIKNMQMBWPBKZ-LLVKDONJSA-N 0 0 348.366 2.803 50 0 EFAARN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc2c1NC(=O)C2(C)C ZINC000071195996 301380943 /nfs/dbraw/zinc/38/09/43/301380943.db2.gz AIMGIIDAMJGJJY-LBPRGKRZSA-N 0 0 336.457 2.788 50 0 EFAARN Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000097179413 301581430 /nfs/dbraw/zinc/58/14/30/301581430.db2.gz FPZUNXRSJGVZDL-UHFFFAOYSA-N 0 0 340.423 2.897 50 0 EFAARN Cc1ccsc1CN(C(=O)[C@@H]1CCCN1C(N)=O)C1CCCC1 ZINC000055042681 302302079 /nfs/dbraw/zinc/30/20/79/302302079.db2.gz IFQJYIUYXMASAG-AWEZNQCLSA-N 0 0 335.473 2.871 50 0 EFAARN Cc1ccsc1[C@H]1CC(=O)Nc2c1c(=O)nc1c(C)cccn12 ZINC000004743491 302313231 /nfs/dbraw/zinc/31/32/31/302313231.db2.gz KLGPMAPQBOTLDF-NSHDSACASA-N 0 0 325.393 2.847 50 0 EFAARN Cc1ncc(N2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)nc1C ZINC000091690837 302698247 /nfs/dbraw/zinc/69/82/47/302698247.db2.gz HDAVFJVPAVJVNB-LJQANCHMSA-N 0 0 328.460 2.855 50 0 EFAARN Cc1nccc(-c2ccccc2)c1C(=O)N1CC[C@]2(C1)CCCNC2=O ZINC000091845778 302707497 /nfs/dbraw/zinc/70/74/97/302707497.db2.gz NZIUYPYFJOFFGV-NRFANRHFSA-N 0 0 349.434 2.799 50 0 EFAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1c2c(nn1C)CCCC2 ZINC000426404140 302845650 /nfs/dbraw/zinc/84/56/50/302845650.db2.gz DNEPMVOWPAMVHJ-HNNXBMFYSA-N 0 0 328.416 2.881 50 0 EFAARN Cn1cc(S(=O)(=O)N2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000072127084 302917437 /nfs/dbraw/zinc/91/74/37/302917437.db2.gz JGPCGBGMSHHCAW-INIZCTEOSA-N 0 0 333.457 2.596 50 0 EFAARN [NH2+]=C1N=C2[N-]C(=O)c3ccccc3N2[C@@H](c2ccc(Cl)cc2)N1 ZINC000009015889 303360361 /nfs/dbraw/zinc/36/03/61/303360361.db2.gz WSTWAGSUXASOTD-ZDUSSCGKSA-N 0 0 325.759 2.848 50 0 EFAARN O=C(N1CCN(C(=O)N2CCCCCC2)CC1)N1CCCCCC1 ZINC000006702423 303680367 /nfs/dbraw/zinc/68/03/67/303680367.db2.gz NMIPDDAMIXEXCY-UHFFFAOYSA-N 0 0 336.480 2.596 50 0 EFAARN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCc2cnn(C)c2)c1 ZINC000298880786 311031326 /nfs/dbraw/zinc/03/13/26/311031326.db2.gz YVEKWOKPLCSQBC-UHFFFAOYSA-N 0 0 348.834 2.783 50 0 EFAARN COc1cc([C@@H](C)NC(=O)Cc2ccncc2)cc(OC)c1OC ZINC000299241150 311064631 /nfs/dbraw/zinc/06/46/31/311064631.db2.gz OWQQNZDTUUFSIW-GFCCVEGCSA-N 0 0 330.384 2.527 50 0 EFAARN CCC(=O)Nc1ccc(NC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 ZINC000333854921 311667441 /nfs/dbraw/zinc/66/74/41/311667441.db2.gz QGEDZXVAIQFHCY-CABCVRRESA-N 0 0 331.416 2.924 50 0 EFAARN COc1ccc2nc(NC(=O)c3cc(=O)c(OC)co3)sc2c1 ZINC000040287628 441621733 /nfs/dbraw/zinc/62/17/33/441621733.db2.gz SXXJLXBEBJFHNQ-UHFFFAOYSA-N 0 0 332.337 2.519 50 0 EFAARN CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)cc2)n1 ZINC000009109567 462798832 /nfs/dbraw/zinc/79/88/32/462798832.db2.gz OILAUTXNLFJSJQ-RMKNXTFCSA-N 0 0 346.408 2.909 50 0 EFAARN COc1ccc(-c2ccc(NS(C)(=O)=O)nc2)c2ccc(C)nc12 ZINC000067459550 463007379 /nfs/dbraw/zinc/00/73/79/463007379.db2.gz JFCQLKDMSMSDCT-UHFFFAOYSA-N 0 0 343.408 2.985 50 0 EFAARN COC(=O)c1nc(NC(=O)Cc2c(C)noc2C)sc1C(C)C ZINC000079479081 463218728 /nfs/dbraw/zinc/21/87/28/463218728.db2.gz AVXFIBRHXWWRIS-UHFFFAOYSA-N 0 0 337.401 2.839 50 0 EFAARN COC(=O)c1nc(NC(=O)Cc2cn(C)c3ccccc23)sc1C ZINC000079476705 463218786 /nfs/dbraw/zinc/21/87/86/463218786.db2.gz LCFLRCFKZVJDEZ-UHFFFAOYSA-N 0 0 343.408 2.911 50 0 EFAARN COC(=O)c1nc(NC(=O)Cn2ccc3ccccc32)sc1C ZINC000079495132 463220683 /nfs/dbraw/zinc/22/06/83/463220683.db2.gz LRHPBOOTQBQVMG-UHFFFAOYSA-N 0 0 329.381 2.832 50 0 EFAARN COC(=O)c1nc(NC(=O)c2c(C)noc2C)sc1CC(C)C ZINC000079491225 463221141 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ZINC000000386951 471354189 /nfs/dbraw/zinc/35/41/89/471354189.db2.gz LRNCOGWUGWGGJP-HOTGVXAUSA-N 0 0 331.393 2.850 50 0 EFAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C ZINC000000411006 471354400 /nfs/dbraw/zinc/35/44/00/471354400.db2.gz TZGDFCYHOMUQJD-UHFFFAOYSA-N 0 0 339.420 2.973 50 0 EFAARN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1 ZINC000000405350 471354418 /nfs/dbraw/zinc/35/44/18/471354418.db2.gz SDPCYPMVZZPJDG-HNNXBMFYSA-N 0 0 329.327 2.789 50 0 EFAARN COc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2)cc1OC ZINC000000408629 471354497 /nfs/dbraw/zinc/35/44/97/471354497.db2.gz DMTPSLQHAXJGJG-AWEZNQCLSA-N 0 0 329.396 2.830 50 0 EFAARN CCNC(=O)COc1ccc(Br)cc1Br ZINC000000408511 471354891 /nfs/dbraw/zinc/35/48/91/471354891.db2.gz AOWQNZIOCXXYKZ-UHFFFAOYSA-N 0 0 337.011 2.727 50 0 EFAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C ZINC000000416135 471355660 /nfs/dbraw/zinc/35/56/60/471355660.db2.gz DBECMXHDTUTJJD-UHFFFAOYSA-N 0 0 344.396 2.815 50 0 EFAARN Cn1cnnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000418127 471357177 /nfs/dbraw/zinc/35/71/77/471357177.db2.gz YLXSZXJFJCMSHZ-UHFFFAOYSA-N 0 0 331.426 2.669 50 0 EFAARN C[C@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccccc1 ZINC000000422566 471358097 /nfs/dbraw/zinc/35/80/97/471358097.db2.gz IRZAXMNIFBPSPN-LBPRGKRZSA-N 0 0 339.424 2.996 50 0 EFAARN Nc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000000436099 471359683 /nfs/dbraw/zinc/35/96/83/471359683.db2.gz UQIAOINDLAFVMA-SMDDNHRTSA-N 0 0 327.306 2.522 50 0 EFAARN COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1 ZINC000000433818 471359743 /nfs/dbraw/zinc/35/97/43/471359743.db2.gz NKUKNFAIHPSEQQ-UHFFFAOYSA-N 0 0 345.362 2.886 50 0 EFAARN O=C(c1ccccc1O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000436190 471359767 /nfs/dbraw/zinc/35/97/67/471359767.db2.gz GITNYGIPTKRVPM-IINYFYTJSA-N 0 0 328.290 2.645 50 0 EFAARN O=C(COc1ccc(Cl)cc1Br)NC[C@@H]1CCCO1 ZINC000000436210 471360353 /nfs/dbraw/zinc/36/03/53/471360353.db2.gz JJZRLGDHHXRSMI-JTQLQIEISA-N 0 0 348.624 2.777 50 0 EFAARN O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1 ZINC000000448554 471360943 /nfs/dbraw/zinc/36/09/43/471360943.db2.gz UAFKMZFQTJGNLO-UHFFFAOYSA-N 0 0 327.203 2.786 50 0 EFAARN N=C(Nc1ccc(F)cc1F)Nc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000000449187 471360985 /nfs/dbraw/zinc/36/09/85/471360985.db2.gz WQNAKHVFUXJNPT-UHFFFAOYSA-N 0 0 333.220 2.526 50 0 EFAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc(Cl)c(Cl)c2)S1 ZINC000000448677 471361307 /nfs/dbraw/zinc/36/13/07/471361307.db2.gz LWQFPVYFAAPMTF-NSHDSACASA-N 0 0 332.212 2.994 50 0 EFAARN CCC(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000000456384 471362034 /nfs/dbraw/zinc/36/20/34/471362034.db2.gz QYTHHGJKQHZLFQ-UHFFFAOYSA-N 0 0 339.424 2.952 50 0 EFAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(N(C)C)cc1 ZINC000000453975 471362277 /nfs/dbraw/zinc/36/22/77/471362277.db2.gz HPHNNBIOFBSRAJ-UHFFFAOYSA-N 0 0 329.425 2.888 50 0 EFAARN CS(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000000453445 471362355 /nfs/dbraw/zinc/36/23/55/471362355.db2.gz FCOCUPBPVMNYEJ-UHFFFAOYSA-N 0 0 344.436 2.545 50 0 EFAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2F)c1 ZINC000000457006 471362414 /nfs/dbraw/zinc/36/24/14/471362414.db2.gz SUEFQVXGDHHMDX-UHFFFAOYSA-N 0 0 334.372 2.970 50 0 EFAARN CCOc1cc(C(=O)N[C@@H](C)COC)cc(OCC)c1OCC ZINC000000456753 471362578 /nfs/dbraw/zinc/36/25/78/471362578.db2.gz ZLXUKKZYILPGRB-LBPRGKRZSA-N 0 0 325.405 2.647 50 0 EFAARN CCOC(=O)CCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O ZINC000000466759 471363009 /nfs/dbraw/zinc/36/30/09/471363009.db2.gz RLKHOLAZFXGSNH-UHFFFAOYSA-N 0 0 346.379 2.873 50 0 biogenic EFAARN Cc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000469297 471363216 /nfs/dbraw/zinc/36/32/16/471363216.db2.gz XARAGYCQNKKOHK-UHFFFAOYSA-N 0 0 328.387 2.862 50 0 EFAARN CN1CCN(NC(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000000469392 471363595 /nfs/dbraw/zinc/36/35/95/471363595.db2.gz RHJSEMSIQFSGJZ-UHFFFAOYSA-N 0 0 342.468 2.928 50 0 EFAARN Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1 ZINC000000466750 471363640 /nfs/dbraw/zinc/36/36/40/471363640.db2.gz DYGKDHWVWSAGOQ-UHFFFAOYSA-N 0 0 335.454 2.631 50 0 EFAARN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000000472591 471364239 /nfs/dbraw/zinc/36/42/39/471364239.db2.gz NZVVAAJCRJQQAJ-UHFFFAOYSA-N 0 0 337.422 2.981 50 0 EFAARN O=C(c1ccc2c3c(cccc31)CC2)N1CCN(c2ncccn2)CC1 ZINC000000472053 471364281 /nfs/dbraw/zinc/36/42/81/471364281.db2.gz DZQJGXGOSZNNGD-UHFFFAOYSA-N 0 0 344.418 2.691 50 0 EFAARN Cc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000000474892 471364409 /nfs/dbraw/zinc/36/44/09/471364409.db2.gz ALDUETXKURNNRB-UHFFFAOYSA-N 0 0 326.396 2.849 50 0 EFAARN Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C ZINC000000470997 471364473 /nfs/dbraw/zinc/36/44/73/471364473.db2.gz OZVGIZGUKJCEPE-UHFFFAOYSA-N 0 0 332.425 2.952 50 0 EFAARN CN(c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(C)(=O)=O ZINC000000470903 471364514 /nfs/dbraw/zinc/36/45/14/471364514.db2.gz QVFNRDJZLSHKLA-UHFFFAOYSA-N 0 0 338.816 2.988 50 0 EFAARN CCN1CCN(C(=S)Nc2ccc(Br)cc2)CC1 ZINC000000473125 471364621 /nfs/dbraw/zinc/36/46/21/471364621.db2.gz CSEMSYCSCZQKCG-UHFFFAOYSA-N 0 0 328.279 2.783 50 0 EFAARN COc1ccc(S(=O)(=O)NCc2ccncc2)c(Cl)c1Cl ZINC000000479546 471364941 /nfs/dbraw/zinc/36/49/41/471364941.db2.gz CGPAYRCUPNSSJM-UHFFFAOYSA-N 0 0 347.223 2.876 50 0 EFAARN Cc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C)o3)CC2)o1 ZINC000000484391 471365135 /nfs/dbraw/zinc/36/51/35/471365135.db2.gz SVKRIUNHGWOXRH-UHFFFAOYSA-N 0 0 330.384 2.960 50 0 EFAARN C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 ZINC000000479688 471365239 /nfs/dbraw/zinc/36/52/39/471365239.db2.gz NASWHASLADYNKF-ZDUSSCGKSA-N 0 0 332.425 2.573 50 0 EFAARN C[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 ZINC000000479689 471365665 /nfs/dbraw/zinc/36/56/65/471365665.db2.gz NASWHASLADYNKF-CYBMUJFWSA-N 0 0 332.425 2.573 50 0 EFAARN O=CNn1c(=O)c2c3c(sc2nc1Nc1ccccc1)CCCC3 ZINC000000495778 471366899 /nfs/dbraw/zinc/36/68/99/471366899.db2.gz MIZHAOBXZNEFPJ-UHFFFAOYSA-N 0 0 340.408 2.780 50 0 EFAARN CC(C)NC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000000521306 471367404 /nfs/dbraw/zinc/36/74/04/471367404.db2.gz TXRIDAWLJFCYEJ-UHFFFAOYSA-N 0 0 335.407 2.978 50 0 EFAARN CC[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 ZINC000000518058 471368056 /nfs/dbraw/zinc/36/80/56/471368056.db2.gz VBXUEFAIPJPNBO-NJAFHUGGSA-N 0 0 336.435 2.988 50 0 EFAARN COc1ccc(-c2nnc(SCc3cccc(OC)c3)n2N)cc1 ZINC000000528484 471368425 /nfs/dbraw/zinc/36/84/25/471368425.db2.gz KBHUPKLENJIJJL-UHFFFAOYSA-N 0 0 342.424 2.968 50 0 EFAARN COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccco3)SC2)c1 ZINC000000530779 471368737 /nfs/dbraw/zinc/36/87/37/471368737.db2.gz YOUIANIKSSJOEY-UHFFFAOYSA-N 0 0 342.380 2.913 50 0 EFAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)c1 ZINC000000526544 471368913 /nfs/dbraw/zinc/36/89/13/471368913.db2.gz ZPQJDYNOBDDYLU-UHFFFAOYSA-N 0 0 339.424 2.916 50 0 EFAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)n2ncnc2N1 ZINC000000529176 471368988 /nfs/dbraw/zinc/36/89/88/471368988.db2.gz RBFZVDSHFYVDCF-OAHLLOKOSA-N 0 0 349.350 2.534 50 0 EFAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000000529150 471369089 /nfs/dbraw/zinc/36/90/89/471369089.db2.gz NBPBLEZBCHHIFI-UHFFFAOYSA-N 0 0 332.425 2.934 50 0 EFAARN CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 ZINC000000543348 471369629 /nfs/dbraw/zinc/36/96/29/471369629.db2.gz MPGBRPAZRZFXGY-ZXFNITATSA-N 0 0 347.798 2.578 50 0 EFAARN COc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000000540551 471369890 /nfs/dbraw/zinc/36/98/90/471369890.db2.gz NGFWQKXBUBFPSB-UHFFFAOYSA-N 0 0 325.320 2.819 50 0 EFAARN COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1 ZINC000000544245 471369923 /nfs/dbraw/zinc/36/99/23/471369923.db2.gz ZEFNYMBUCYBLDN-UHFFFAOYSA-N 0 0 325.368 2.893 50 0 EFAARN CCOc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1 ZINC000000534962 471370103 /nfs/dbraw/zinc/37/01/03/471370103.db2.gz BEOAQCXIFJFIQC-KRWDZBQOSA-N 0 0 342.395 2.991 50 0 EFAARN CCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1 ZINC000000555651 471370149 /nfs/dbraw/zinc/37/01/49/471370149.db2.gz BTAQLQFVADYNSZ-UHFFFAOYSA-N 0 0 332.425 2.654 50 0 EFAARN Cc1cc(=O)oc2cc(OCCN3C(=O)c4ccccc4C3=O)ccc12 ZINC000000547223 471370263 /nfs/dbraw/zinc/37/02/63/471370263.db2.gz RCZIXOHWXHXFEP-UHFFFAOYSA-N 0 0 349.342 2.776 50 0 biogenic EFAARN COc1ccc(OC)c(NC(=S)NC[C@@H](O)c2ccccc2)c1 ZINC000000554660 471370920 /nfs/dbraw/zinc/37/09/20/471370920.db2.gz AWZVIIXFCIIFRI-OAHLLOKOSA-N 0 0 332.425 2.724 50 0 EFAARN CC(C)C(=O)c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000000560753 471371560 /nfs/dbraw/zinc/37/15/60/471371560.db2.gz HGFDYMWZJVVEEC-AWEZNQCLSA-N 0 0 328.412 2.775 50 0 EFAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(C)n2)cc1 ZINC000000569287 471371787 /nfs/dbraw/zinc/37/17/87/471371787.db2.gz STOAVYPQJZUNFZ-DHZHZOJOSA-N 0 0 327.409 2.925 50 0 EFAARN CN1c2ccccc2[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)C1=O ZINC000000565342 471371849 /nfs/dbraw/zinc/37/18/49/471371849.db2.gz MFHVDJWVQFUXAH-NRFANRHFSA-N 0 0 346.386 2.914 50 0 aggregator EFAARN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000000580677 471372623 /nfs/dbraw/zinc/37/26/23/471372623.db2.gz FQCGFQFIYIWFNI-MDWZMJQESA-N 0 0 340.335 2.507 50 0 EFAARN C[C@H](C(=O)NC1CCCC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000000582724 471372752 /nfs/dbraw/zinc/37/27/52/471372752.db2.gz YYLZXQPQTAJBDM-GFCCVEGCSA-N 0 0 344.436 2.796 50 0 EFAARN S=C(NNC(=S)NC1CCCC1)Nc1ccc(Cl)cc1 ZINC000000611897 471373587 /nfs/dbraw/zinc/37/35/87/471373587.db2.gz ALGTULSVIPDMMG-UHFFFAOYSA-N 0 0 328.894 2.948 50 0 EFAARN O=C(COc1ccc(Br)cc1CO)Nc1ccccc1 ZINC000000612835 471373907 /nfs/dbraw/zinc/37/39/07/471373907.db2.gz YJRDTKBLHCTIEQ-UHFFFAOYSA-N 0 0 336.185 2.959 50 0 EFAARN CN(c1ccc(C(=O)Nc2c(F)cccc2F)cc1)S(C)(=O)=O ZINC000000611071 471374078 /nfs/dbraw/zinc/37/40/78/471374078.db2.gz JKAKVOBNJQQTON-UHFFFAOYSA-N 0 0 340.351 2.613 50 0 EFAARN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 ZINC000000620630 471374464 /nfs/dbraw/zinc/37/44/64/471374464.db2.gz NWIQDOKOHDDBGN-UHFFFAOYSA-N 0 0 345.472 2.901 50 0 EFAARN O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000000616873 471374667 /nfs/dbraw/zinc/37/46/67/471374667.db2.gz VWCCKYYBZXSZBT-VIFPVBQESA-N 0 0 341.186 2.907 50 0 EFAARN COc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 ZINC000000711202 471374704 /nfs/dbraw/zinc/37/47/04/471374704.db2.gz PZYUVRDAPUXHSV-UHFFFAOYSA-N 0 0 340.408 2.954 50 0 EFAARN CCCn1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000000616081 471374771 /nfs/dbraw/zinc/37/47/71/471374771.db2.gz RGAVJMMHZAYELJ-QMMMGPOBSA-N 0 0 344.202 2.796 50 0 EFAARN CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O ZINC000000620554 471375201 /nfs/dbraw/zinc/37/52/01/471375201.db2.gz FHKUJBMAPHJCOI-UHFFFAOYSA-N 0 0 345.468 2.957 50 0 EFAARN CC(=O)Nc1nnc(-c2ccccc2I)s1 ZINC000000620797 471375281 /nfs/dbraw/zinc/37/52/81/471375281.db2.gz GVRPITYRGKWJDU-UHFFFAOYSA-N 0 0 345.165 2.768 50 0 EFAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 ZINC000000814682 471376291 /nfs/dbraw/zinc/37/62/91/471376291.db2.gz VEFSBIZUEIMBEG-UHFFFAOYSA-N 0 0 346.408 2.858 50 0 EFAARN NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 ZINC000000794309 471376422 /nfs/dbraw/zinc/37/64/22/471376422.db2.gz ZTZSMYHQKPBIFR-ZDUSSCGKSA-N 0 0 344.798 2.757 50 0 EFAARN COCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 ZINC000000815467 471377237 /nfs/dbraw/zinc/37/72/37/471377237.db2.gz VVMRGJMCVMMCMT-UHFFFAOYSA-N 0 0 334.401 2.531 50 0 EFAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3nsnc3c2)cc1 ZINC000000870123 471377421 /nfs/dbraw/zinc/37/74/21/471377421.db2.gz PJLRWPNXTXMZHC-UHFFFAOYSA-N 0 0 333.394 2.695 50 0 EFAARN Cc1c(Br)c(C(=O)NCc2cc3ccccc3[nH]2)nn1C ZINC000001012145 471378920 /nfs/dbraw/zinc/37/89/20/471378920.db2.gz FTTMTOKWBGXHOF-UHFFFAOYSA-N 0 0 347.216 2.902 50 0 EFAARN CCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC)cc2)cc1 ZINC000001050111 471379596 /nfs/dbraw/zinc/37/95/96/471379596.db2.gz PUMYGHMSFQVFAS-UHFFFAOYSA-N 0 0 333.409 2.999 50 0 EFAARN Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1 ZINC000001053505 471379874 /nfs/dbraw/zinc/37/98/74/471379874.db2.gz IACKEIMCXWSACL-UHFFFAOYSA-N 0 0 325.368 2.947 50 0 EFAARN CCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000001052350 471380019 /nfs/dbraw/zinc/38/00/19/471380019.db2.gz STRRLUYDSCOZAP-UHFFFAOYSA-N 0 0 326.418 2.676 50 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/nfs/dbraw/zinc/70/02/75/471700275.db2.gz GEXSWGOWUYTOKZ-UHFFFAOYSA-N 0 0 348.262 2.987 50 0 EFAARN CCC1=Nc2nc(SC)nn2[C@H](c2ccc(F)cc2)C1C(=O)OC ZINC000008843484 471704789 /nfs/dbraw/zinc/70/47/89/471704789.db2.gz HEIPFNWCCUOVJP-CYBMUJFWSA-N 0 0 348.403 2.991 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2ncccn2)C1 ZINC000009052176 471709321 /nfs/dbraw/zinc/70/93/21/471709321.db2.gz BXQUXFGGWSZZFD-INIZCTEOSA-N 0 0 349.438 2.533 50 0 EFAARN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000009262295 471713942 /nfs/dbraw/zinc/71/39/42/471713942.db2.gz ZZQSXLPBQCENGX-LSDHHAIUSA-N 0 0 336.351 2.802 50 0 EFAARN CCC1(CC)Cc2ccccc2-c2nc(NCCCO)[nH]c(=O)c21 ZINC000009683800 471719958 /nfs/dbraw/zinc/71/99/58/471719958.db2.gz BUZHKGXZGKMOHM-UHFFFAOYSA-N 0 0 327.428 2.845 50 0 EFAARN CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000009828231 471722238 /nfs/dbraw/zinc/72/22/38/471722238.db2.gz DGZRJGBLRUCBEV-UHFFFAOYSA-N 0 0 348.399 2.926 50 0 EFAARN C[C@@H]1CC(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2C1 ZINC000009935342 471723853 /nfs/dbraw/zinc/72/38/53/471723853.db2.gz CRJNWCGYIXGLJB-ZDUSSCGKSA-N 0 0 340.402 2.707 50 0 EFAARN Cc1ccc(C(=O)NCCC2=CCCCC2)cc1NS(C)(=O)=O ZINC000010314190 471733238 /nfs/dbraw/zinc/73/32/38/471733238.db2.gz SMGPTMIQPCXHBQ-UHFFFAOYSA-N 0 0 336.457 2.987 50 0 EFAARN O=C(NCc1ccc(Cl)cc1)C(=O)NCc1c(F)cccc1F ZINC000010325751 471733397 /nfs/dbraw/zinc/73/33/97/471733397.db2.gz CTLYOJRIZKFFJT-UHFFFAOYSA-N 0 0 338.741 2.551 50 0 EFAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3)ccc21 ZINC000010327608 471733885 /nfs/dbraw/zinc/73/38/85/471733885.db2.gz FKHNALTZUOZIRR-UHFFFAOYSA-N 0 0 330.409 2.651 50 0 EFAARN Cc1ccc2nc(C)c(C(=O)N3CCN(c4cnccn4)CC3)cc2c1 ZINC000011545987 471753037 /nfs/dbraw/zinc/75/30/37/471753037.db2.gz BNRVQSUZGUCQQH-UHFFFAOYSA-N 0 0 347.422 2.604 50 0 EFAARN CCn1c2cc(OC)c(OC)cc2s/c1=N/C(=O)c1cc(C)no1 ZINC000011693212 471757668 /nfs/dbraw/zinc/75/76/68/471757668.db2.gz SMMWDDJIYNIHBB-WUKNDPDISA-N 0 0 347.396 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COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)C(C)(C)C ZINC000013116748 471816689 /nfs/dbraw/zinc/81/66/89/471816689.db2.gz SBBFRNUWRQVNGO-VLGSPTGOSA-N 0 0 334.441 2.966 50 0 EFAARN CCCC1=Nc2ncnn2[C@H](c2ccc(O)cc2)C1C(=O)OCC ZINC000013124468 471817916 /nfs/dbraw/zinc/81/79/16/471817916.db2.gz NLOBXDNWPMSWNW-OAHLLOKOSA-N 0 0 328.372 2.616 50 0 EFAARN CC1=Nc2ncnn2[C@@H](c2ccco2)C1C(=O)OCc1ccccc1 ZINC000013131900 471817945 /nfs/dbraw/zinc/81/79/45/471817945.db2.gz GZDHWEHWGKJWLC-INIZCTEOSA-N 0 0 336.351 2.903 50 0 EFAARN Cc1cccc(NC(=O)c2cc(=O)n(Cc3ccccc3)c(=O)[nH]2)c1 ZINC000013142324 471818318 /nfs/dbraw/zinc/81/83/18/471818318.db2.gz AVTKTDKZPIGFCA-UHFFFAOYSA-N 0 0 335.363 2.558 50 0 EFAARN O=C(CSc1nc2ccccc2[nH]1)NCCOc1ccccc1F ZINC000013234001 471822847 /nfs/dbraw/zinc/82/28/47/471822847.db2.gz MDYUPSTXLRIJNO-UHFFFAOYSA-N 0 0 345.399 2.989 50 0 EFAARN COc1ccc(OC)c(NC(=O)N2CCN(Cc3ccco3)CC2)c1 ZINC000013322607 471824525 /nfs/dbraw/zinc/82/45/25/471824525.db2.gz LWWPZEUGHGEPQN-UHFFFAOYSA-N 0 0 345.399 2.647 50 0 EFAARN CCCCNC(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000013324762 471825839 /nfs/dbraw/zinc/82/58/39/471825839.db2.gz TVZIZVICVUZLOV-UHFFFAOYSA-N 0 0 339.867 2.976 50 0 EFAARN CCc1c(C)sc(NC(=O)c2ccc3c(c2)OCCO3)c1C(N)=O ZINC000013326115 471825958 /nfs/dbraw/zinc/82/59/58/471825958.db2.gz RCLKCBVLOKZVGH-UHFFFAOYSA-N 0 0 346.408 2.741 50 0 EFAARN CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000013331483 471826097 /nfs/dbraw/zinc/82/60/97/471826097.db2.gz UNQSZEVFHUFLAL-UHFFFAOYSA-N 0 0 344.415 2.541 50 0 EFAARN Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000013331325 471826286 /nfs/dbraw/zinc/82/62/86/471826286.db2.gz GQERATSIHPKAHN-CYBMUJFWSA-N 0 0 339.819 2.781 50 0 EFAARN Cc1cc(C)c(NC(=O)CCN2C(=O)c3ccncc3C2=O)c(C)c1 ZINC000013331103 471826492 /nfs/dbraw/zinc/82/64/92/471826492.db2.gz YXEYHGAXTVXZKC-UHFFFAOYSA-N 0 0 337.379 2.632 50 0 EFAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC[C@@H]1CCCO1 ZINC000013331354 471826770 /nfs/dbraw/zinc/82/67/70/471826770.db2.gz 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/nfs/dbraw/zinc/83/28/26/471832826.db2.gz MSUUUUMWMGOARJ-WCABBAIRSA-N 0 0 331.671 2.564 50 0 EFAARN CCOc1ccc(NC(=O)[C@H](C)Sc2ncnc3[nH]cnc32)cc1 ZINC000013570366 471833744 /nfs/dbraw/zinc/83/37/44/471833744.db2.gz WAVOIWVYQHTMCU-JTQLQIEISA-N 0 0 343.412 2.871 50 0 EFAARN Cc1cc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)n(C)n1 ZINC000013653975 471835769 /nfs/dbraw/zinc/83/57/69/471835769.db2.gz RWVBIEAIUHSAMB-UHFFFAOYSA-N 0 0 337.792 2.670 50 0 EFAARN C[C@H]1CN(C(=O)c2cc3nccc(-c4cccs4)n3n2)C[C@H](C)O1 ZINC000013644408 471836274 /nfs/dbraw/zinc/83/62/74/471836274.db2.gz SDCYLURWWDQHHJ-RYUDHWBXSA-N 0 0 342.424 2.707 50 0 EFAARN C[C@@H](CNC(=O)c1nnn(-c2ccc(F)cc2)c1N)c1ccccc1 ZINC000013655399 471836556 /nfs/dbraw/zinc/83/65/56/471836556.db2.gz PGWQVBQYNREIIG-LBPRGKRZSA-N 0 0 339.374 2.522 50 0 EFAARN COCCCN1COc2c(C)c3oc(=O)c4c(c3cc2C1)CCC4 ZINC000013681872 471837087 /nfs/dbraw/zinc/83/70/87/471837087.db2.gz AHGGYESDIPGXFN-UHFFFAOYSA-N 0 0 329.396 2.779 50 0 EFAARN 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347.196 2.991 50 0 EFAARN S=C1N=NC(CN2CCSCC2)N1c1cccc(Cl)c1 ZINC000016671580 471947530 /nfs/dbraw/zinc/94/75/30/471947530.db2.gz IBOJGNCBKMCVEB-UHFFFAOYSA-N 0 0 326.878 2.758 50 0 EFAARN CCCCN(C(=O)c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000016689589 471948052 /nfs/dbraw/zinc/94/80/52/471948052.db2.gz HWYRITYUKWPJAW-OAHLLOKOSA-N 0 0 339.457 2.515 50 0 EFAARN COc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)cc1C ZINC000016780213 471949503 /nfs/dbraw/zinc/94/95/03/471949503.db2.gz WOOWVJIJSGCCIZ-RYUDHWBXSA-N 0 0 327.446 2.679 50 0 EFAARN CN(C(=O)c1ccc(=O)n(Cc2ccc(F)cc2)n1)c1ccccc1 ZINC000016848244 471951186 /nfs/dbraw/zinc/95/11/86/471951186.db2.gz UFFWYNOEFYHFOI-UHFFFAOYSA-N 0 0 337.354 2.707 50 0 EFAARN O=S(=O)(NCCc1ccc(N2CCCC2)cc1)c1cccs1 ZINC000016847272 471951222 /nfs/dbraw/zinc/95/12/22/471951222.db2.gz YPWXRSGDFHFPBO-UHFFFAOYSA-N 0 0 336.482 2.869 50 0 EFAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000017026004 471952867 /nfs/dbraw/zinc/95/28/67/471952867.db2.gz LMXGZHKLUWMCNE-UHFFFAOYSA-N 0 0 330.409 2.989 50 0 EFAARN CCOC(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000017071486 471956672 /nfs/dbraw/zinc/95/66/72/471956672.db2.gz JWPVGXLNNSYGIY-UHFFFAOYSA-N 0 0 341.820 2.703 50 0 EFAARN COCCNc1nc2c(cnn2C)c(Nc2ccc(Cl)cc2)n1 ZINC000017148965 471957450 /nfs/dbraw/zinc/95/74/50/471957450.db2.gz AADWHMOYFNGZBS-UHFFFAOYSA-N 0 0 332.795 2.819 50 0 EFAARN O=C(Nc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000017586149 471962688 /nfs/dbraw/zinc/96/26/88/471962688.db2.gz BLJDHTYJMXIGOR-CQSZACIVSA-N 0 0 327.359 2.712 50 0 EFAARN CN(N[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1 ZINC000018004895 471967145 /nfs/dbraw/zinc/96/71/45/471967145.db2.gz AHCVSHLNLRGACR-HNNXBMFYSA-N 0 0 329.787 2.613 50 0 EFAARN CCCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000018062151 471967904 /nfs/dbraw/zinc/96/79/04/471967904.db2.gz SNNKGKDZWVSKPM-TXEJJXNPSA-N 0 0 347.864 2.927 50 0 EFAARN CC(=O)N(c1ccc(C)cc1)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000018148904 471970170 /nfs/dbraw/zinc/97/01/70/471970170.db2.gz XROPYLIYALJKLM-SFHVURJKSA-N 0 0 336.391 2.988 50 0 EFAARN O=C(CSc1nc2ccccc2c(=O)[nH]1)NCc1ccccc1 ZINC000018219331 471973322 /nfs/dbraw/zinc/97/33/22/471973322.db2.gz CHMIQKBMAHSAPY-UHFFFAOYSA-N 0 0 325.393 2.744 50 0 biogenic,in-vitro EFAARN COc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 ZINC000018251134 471974292 /nfs/dbraw/zinc/97/42/92/471974292.db2.gz CABGTKGMPVWNTL-UHFFFAOYSA-N 0 0 328.441 2.609 50 0 EFAARN Cc1occc1C(=O)N1C[C@H](C)N(C(=O)c2ccoc2C)C[C@H]1C ZINC000018267901 471974812 /nfs/dbraw/zinc/97/48/12/471974812.db2.gz XWGLBNFJBKAOLT-TXEJJXNPSA-N 0 0 330.384 2.865 50 0 EFAARN CCC12CN3CC(CC)(CN(C1)C3c1ccc(OC)c(OC)c1)C2O ZINC000019320193 471979512 /nfs/dbraw/zinc/97/95/12/471979512.db2.gz FEVLWTQJWLBFMP-UHFFFAOYSA-N 0 0 346.471 2.501 50 0 biogenic EFAARN CC(C)c1nc(CNC(=O)c2ccc(N3CCC[C@@H](C)C3)nc2)no1 ZINC000019642920 471982550 /nfs/dbraw/zinc/98/25/50/471982550.db2.gz XUMLMNQLCFHRIH-CYBMUJFWSA-N 0 0 343.431 2.754 50 0 EFAARN CC(C)c1nc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)nc2)no1 ZINC000019642924 471983233 /nfs/dbraw/zinc/98/32/33/471983233.db2.gz XUMLMNQLCFHRIH-ZDUSSCGKSA-N 0 0 343.431 2.754 50 0 EFAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1Cl ZINC000033406971 471983788 /nfs/dbraw/zinc/98/37/88/471983788.db2.gz GDHFTXOXXIDADU-UHFFFAOYSA-N 0 0 345.848 2.566 50 0 EFAARN CN1C(=O)COc2ccc(-c3cnc4n3-c3ccccc3OC4)cc21 ZINC000019798812 471985204 /nfs/dbraw/zinc/98/52/04/471985204.db2.gz GQDZUDVRTSJIMG-UHFFFAOYSA-N 0 0 333.347 2.787 50 0 EFAARN C[C@H]1CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1 ZINC000019913633 471985261 /nfs/dbraw/zinc/98/52/61/471985261.db2.gz BHCOUVSYFBAXAH-OAHLLOKOSA-N 0 0 336.439 2.564 50 0 EFAARN O=C(C1CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000033735454 471986983 /nfs/dbraw/zinc/98/69/83/471986983.db2.gz KPJSMQVNSBZUPJ-UHFFFAOYSA-N 0 0 333.741 2.812 50 0 EFAARN Cc1ccc(N2CCN(CN3c4ccccc4C(=O)C3=O)C[C@@H]2C)cc1 ZINC000020045383 471987024 /nfs/dbraw/zinc/98/70/24/471987024.db2.gz SDLIEXVXYGRLGS-INIZCTEOSA-N 0 0 349.434 2.693 50 0 EFAARN COC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000020404840 471989086 /nfs/dbraw/zinc/98/90/86/471989086.db2.gz PAHKYFOJFPTOTN-UHFFFAOYSA-N 0 0 331.803 2.848 50 0 EFAARN Cc1ccc2c(CN3CCN(c4ccccn4)CC3)cc(=O)oc2c1 ZINC000020407898 471989246 /nfs/dbraw/zinc/98/92/46/471989246.db2.gz NXXYZKDBHHYSAJ-UHFFFAOYSA-N 0 0 335.407 2.819 50 0 EFAARN COC(=O)[C@]1(C)C[C@@H](CO)[C@H](c2ccc(Cl)cc2Cl)N1C ZINC000034785219 471991868 /nfs/dbraw/zinc/99/18/68/471991868.db2.gz PGGNJUFXKPAEFZ-RJIBLYRGSA-N 0 0 332.227 2.910 50 0 EFAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C)n1 ZINC000020608208 471992176 /nfs/dbraw/zinc/99/21/76/471992176.db2.gz SWXHYTLEUGVGGF-UHFFFAOYSA-N 0 0 343.334 2.948 50 0 EFAARN CN1CCN(c2ccc(-c3ccc(Br)cc3)nn2)CC1 ZINC000020737576 471992498 /nfs/dbraw/zinc/99/24/98/471992498.db2.gz WYZHGFCVQSECOB-UHFFFAOYSA-N 0 0 333.233 2.658 50 0 EFAARN Cc1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1C ZINC000036070970 471998318 /nfs/dbraw/zinc/99/83/18/471998318.db2.gz XCTCPDNQRYUXPT-IBGZPJMESA-N 0 0 334.419 2.885 50 0 EFAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(Cl)c1 ZINC000036615188 472002332 /nfs/dbraw/zinc/00/23/32/472002332.db2.gz ANSQJRUXYQCXBM-AWEZNQCLSA-N 0 0 348.790 2.792 50 0 EFAARN CCOC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000021993886 472009217 /nfs/dbraw/zinc/00/92/17/472009217.db2.gz SBIWRFCYFYWFLT-UHFFFAOYSA-N 0 0 334.416 2.920 50 0 EFAARN Cc1ccc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)cc1 ZINC000022609002 472017056 /nfs/dbraw/zinc/01/70/56/472017056.db2.gz STNYKPMKFWUTAT-UHFFFAOYSA-N 0 0 345.284 2.756 50 0 EFAARN O=C1COc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1 ZINC000023126979 472027222 /nfs/dbraw/zinc/02/72/22/472027222.db2.gz AASAWMWOTLFQCH-UHFFFAOYSA-N 0 0 325.299 2.801 50 0 EFAARN Cn1c2ccc(C[C@H]3C(=O)Nc4cc(Cl)ccc43)cc2n(C)c1=O ZINC000040287888 472030127 /nfs/dbraw/zinc/03/01/27/472030127.db2.gz MHTALKRHZBGNJW-CYBMUJFWSA-N 0 0 341.798 2.809 50 0 EFAARN O[C@@H]1CN(c2ncnc3nc[nH]c32)CC[C@H]1c1ccc2ccccc2c1 ZINC000067459760 472036479 /nfs/dbraw/zinc/03/64/79/472036479.db2.gz VUSNGAHPEUOXPV-DLBZAZTESA-N 0 0 345.406 2.861 50 0 EFAARN Cc1cccnc1NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040553332 472038120 /nfs/dbraw/zinc/03/81/20/472038120.db2.gz OAUNBINKHUDQTN-GFCCVEGCSA-N 0 0 331.807 2.689 50 0 EFAARN CCn1ccnc1C(=O)c1ccc(I)cc1 ZINC000041048400 472043637 /nfs/dbraw/zinc/04/36/37/472043637.db2.gz XTQNJPMCKSAAAQ-UHFFFAOYSA-N 0 0 326.137 2.739 50 0 EFAARN O=CN1CCN(c2nc3ccccc3c(NC3CCCCC3)n2)CC1 ZINC000041152801 472048479 /nfs/dbraw/zinc/04/84/79/472048479.db2.gz UHENFWKYUALHCC-UHFFFAOYSA-N 0 0 339.443 2.653 50 0 EFAARN COCc1nc2c(s1)CN(C(=O)CCOc1ccccc1)CC2 ZINC000041194453 472049520 /nfs/dbraw/zinc/04/95/20/472049520.db2.gz UEWSZMVMWHCGKQ-UHFFFAOYSA-N 0 0 332.425 2.643 50 0 EFAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)c1O ZINC000067561836 472050303 /nfs/dbraw/zinc/05/03/03/472050303.db2.gz VQYIHVMXZPNDJE-LBPRGKRZSA-N 0 0 327.384 2.798 50 0 EFAARN O=C(c1cnc2ccccc2n1)N1CCN(Cc2ccsc2)CC1 ZINC000024394101 472054342 /nfs/dbraw/zinc/05/43/42/472054342.db2.gz QGLPQVLUADYZGW-UHFFFAOYSA-N 0 0 338.436 2.649 50 0 EFAARN COCc1ncc(CN2CCN(c3ccccc3C)C[C@H]2C)cn1 ZINC000067642456 472064403 /nfs/dbraw/zinc/06/44/03/472064403.db2.gz XXQCZDQZKALMQA-MRXNPFEDSA-N 0 0 326.444 2.642 50 0 EFAARN Cc1ccc2[nH]c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc2c1 ZINC000024955063 472074774 /nfs/dbraw/zinc/07/47/74/472074774.db2.gz YOZPKRLNIKLIOH-SECBINFHSA-N 0 0 329.433 2.558 50 0 EFAARN O=C(NCc1ccccc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000025062726 472078965 /nfs/dbraw/zinc/07/89/65/472078965.db2.gz UWPIUQJVCZAKJV-INIZCTEOSA-N 0 0 345.468 2.621 50 0 EFAARN Cc1nc(N2CCC[C@@H](CCC(N)=O)C2)nc2cc3c(cc12)CCC3 ZINC000067724589 472079306 /nfs/dbraw/zinc/07/93/06/472079306.db2.gz ODEYSJVJBORHFP-AWEZNQCLSA-N 0 0 338.455 2.909 50 0 EFAARN Nc1cc(NCc2cccnc2N2CCc3ccccc3C2)ncn1 ZINC000067742245 472082698 /nfs/dbraw/zinc/08/26/98/472082698.db2.gz SQVKOXRXSXXAIG-UHFFFAOYSA-N 0 0 332.411 2.629 50 0 EFAARN Cc1noc(C)c1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000067760958 472085981 /nfs/dbraw/zinc/08/59/81/472085981.db2.gz XXXVTYVYCUTYLF-KRWDZBQOSA-N 0 0 341.411 2.603 50 0 EFAARN Cc1cc(C(=O)Nc2cccc(O[C@@]34CC[N@H+](C3)CCC4)c2)no1 ZINC000067774343 472088620 /nfs/dbraw/zinc/08/86/20/472088620.db2.gz XSKGGVDOIJXAOY-SFHVURJKSA-N 0 0 327.384 2.852 50 0 EFAARN Nc1ccnc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 ZINC000067774823 472088637 /nfs/dbraw/zinc/08/86/37/472088637.db2.gz RCCNSFMMENVZJK-UHFFFAOYSA-N 0 0 334.427 2.757 50 0 EFAARN CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)s1 ZINC000025323838 472090441 /nfs/dbraw/zinc/09/04/41/472090441.db2.gz LLMIZXULJPITNB-JTQLQIEISA-N 0 0 348.403 2.792 50 0 EFAARN O=C(NCc1ccc(Cl)s1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000025522481 472100161 /nfs/dbraw/zinc/10/01/61/472100161.db2.gz FAMURUXXCUARIP-SNVBAGLBSA-N 0 0 326.849 2.809 50 0 EFAARN CN(C)c1ccnc(N2CCC[C@@](CO)(Cc3ccccc3F)C2)n1 ZINC000067885382 472104122 /nfs/dbraw/zinc/10/41/22/472104122.db2.gz YKGUSDPKLWSJBJ-LJQANCHMSA-N 0 0 344.434 2.503 50 0 EFAARN c1ccc([C@@H]2O[C@H]3O[C@H]4CO[C@@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 ZINC000025668166 472107092 /nfs/dbraw/zinc/10/70/92/472107092.db2.gz IHXGBIRUYZZCIT-DTXAGUPXSA-N 0 0 326.348 2.940 50 0 EFAARN COc1ccc(-c2nc(C)c(C(=O)Nc3nc[nH]n3)s2)cc1OC ZINC000026260660 472128986 /nfs/dbraw/zinc/12/89/86/472128986.db2.gz UOSJVYNBFXWDRE-UHFFFAOYSA-N 0 0 345.384 2.506 50 0 EFAARN Cc1cccc(CN2C[C@H](c3noc(-c4ccccn4)n3)CC2=O)c1 ZINC000042381067 472134679 /nfs/dbraw/zinc/13/46/79/472134679.db2.gz UCYQQVMAKAZCRC-OAHLLOKOSA-N 0 0 334.379 2.956 50 0 EFAARN Cc1nnc([C@@H]2CCCN(C(=O)c3cc(-c4ccco4)n[nH]3)C2)s1 ZINC000042380281 472134692 /nfs/dbraw/zinc/13/46/92/472134692.db2.gz BJHNKBIHMSOANW-LLVKDONJSA-N 0 0 343.412 2.849 50 0 EFAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC2(CC1)OCCO2 ZINC000042383522 472134999 /nfs/dbraw/zinc/13/49/99/472134999.db2.gz PEBDCZJXQNOPKH-UHFFFAOYSA-N 0 0 330.359 2.800 50 0 EFAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)NC2CC2)C1 ZINC000042384719 472135062 /nfs/dbraw/zinc/13/50/62/472135062.db2.gz SJOQCMXUQMVWIE-CYBMUJFWSA-N 0 0 335.835 2.540 50 0 EFAARN CCCCCc1nnc(NC(=O)c2ccc3c(c2)OCC(=O)N3)s1 ZINC000026559559 472142552 /nfs/dbraw/zinc/14/25/52/472142552.db2.gz KQKTVFVHMTUANY-UHFFFAOYSA-N 0 0 346.412 2.854 50 0 EFAARN COc1cc(C)c(Br)cc1S(=O)(=O)n1cnc(C)c1 ZINC000027588383 472184756 /nfs/dbraw/zinc/18/47/56/472184756.db2.gz CQEMJHCZZNCUDY-UHFFFAOYSA-N 0 0 345.218 2.508 50 0 EFAARN Cc1nc([C@H]2CCCN2CC(=O)N(C)[C@@H](C)c2cccs2)no1 ZINC000075573101 472158879 /nfs/dbraw/zinc/15/88/79/472158879.db2.gz ODYAIGHTTCEUSB-WCQYABFASA-N 0 0 334.445 2.796 50 0 EFAARN Cn1[nH]c(C(C)(C)C)c2nc(-c3ccc(S(C)(=O)=O)cc3)nc1-2 ZINC000055386441 472176288 /nfs/dbraw/zinc/17/62/88/472176288.db2.gz KFJOHQGLDANUFU-UHFFFAOYSA-N 0 0 332.429 2.664 50 0 EFAARN COc1cccc(SCC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000027661790 472190470 /nfs/dbraw/zinc/19/04/70/472190470.db2.gz WJOLINXNQPHBHN-AWEZNQCLSA-N 0 0 345.420 2.744 50 0 EFAARN CCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000027794908 472196490 /nfs/dbraw/zinc/19/64/90/472196490.db2.gz YAOBDURQTKWVFX-GFCCVEGCSA-N 0 0 340.379 2.986 50 0 EFAARN Cc1cc2c(ncnc2N2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000028162753 472215595 /nfs/dbraw/zinc/21/55/95/472215595.db2.gz DUUIKAREKIGUIR-UHFFFAOYSA-N 0 0 338.436 2.962 50 0 EFAARN O=C(Cc1csc(-n2cccc2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000075906142 472220910 /nfs/dbraw/zinc/22/09/10/472220910.db2.gz NLKDSYGMWVHNRL-RDTXWAMCSA-N 0 0 345.468 2.630 50 0 EFAARN Cc1noc2nc(C)cc(C(=O)NCc3ccccc3-n3ccnc3)c12 ZINC000055696379 472226462 /nfs/dbraw/zinc/22/64/62/472226462.db2.gz RQAHAHQCWDWNKZ-UHFFFAOYSA-N 0 0 347.378 2.955 50 0 EFAARN COc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1OC ZINC000028611275 472229916 /nfs/dbraw/zinc/22/99/16/472229916.db2.gz LZXGDGGDGBPXDK-UHFFFAOYSA-N 0 0 347.342 2.567 50 0 EFAARN Cc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc32)cc1 ZINC000028614080 472229937 /nfs/dbraw/zinc/22/99/37/472229937.db2.gz UJJGBIXKWMSHSY-UHFFFAOYSA-N 0 0 325.364 2.506 50 0 EFAARN C[C@@H](Cc1ccoc1)NS(=O)(=O)c1ccccc1Br ZINC000084953347 472230670 /nfs/dbraw/zinc/23/06/70/472230670.db2.gz XPUSKDYCQWDMNV-JTQLQIEISA-N 0 0 344.230 2.952 50 0 EFAARN CC(C)n1nccc1NC(=O)NCCNC(=O)c1ccccc1Cl ZINC000043451751 472233603 /nfs/dbraw/zinc/23/36/03/472233603.db2.gz SATJCVCTNPFPCT-UHFFFAOYSA-N 0 0 349.822 2.669 50 0 EFAARN COc1cc(C)c(C)cc1S(=O)(=O)NCC[C@@H](O)c1ccccc1 ZINC000085436491 472247367 /nfs/dbraw/zinc/24/73/67/472247367.db2.gz YMENQFFEQYOCPY-MRXNPFEDSA-N 0 0 349.452 2.714 50 0 EFAARN COc1cccc(CC(=O)NCCc2nc(-c3ccco3)cn2C)c1 ZINC000085471256 472251408 /nfs/dbraw/zinc/25/14/08/472251408.db2.gz SEWLXUNXRIALOF-UHFFFAOYSA-N 0 0 339.395 2.590 50 0 EFAARN O=C(Nc1cnc(-n2cccn2)nc1)c1cccc(C(F)(F)F)c1 ZINC000085470347 472252144 /nfs/dbraw/zinc/25/21/44/472252144.db2.gz JYYPJHDXSPFWMP-UHFFFAOYSA-N 0 0 333.273 2.933 50 0 EFAARN Cn1nc(CNS(=O)(=O)/C=C/c2ccccc2)cc1-c1ccco1 ZINC000085471374 472252272 /nfs/dbraw/zinc/25/22/72/472252272.db2.gz BTAIOBJMEMGHJZ-PKNBQFBNSA-N 0 0 343.408 2.770 50 0 EFAARN CC(C)c1cc(C(=O)N[C@@H](c2nnc(N)s2)c2ccccc2)no1 ZINC000085532713 472254154 /nfs/dbraw/zinc/25/41/54/472254154.db2.gz ZFHMZBWCBVZGCJ-CYBMUJFWSA-N 0 0 343.412 2.751 50 0 EFAARN Cc1cc([C@@H](O)CCNC(=O)c2cc(=O)c3ccccc3o2)c(C)o1 ZINC000085561591 472257064 /nfs/dbraw/zinc/25/70/64/472257064.db2.gz KHMNTIRGAFAVSP-HNNXBMFYSA-N 0 0 341.363 2.856 50 0 EFAARN O=C(COc1ccc(Cl)cc1)NC[C@]1(O)CCc2ccccc2C1 ZINC000085560035 472257189 /nfs/dbraw/zinc/25/71/89/472257189.db2.gz GDRJJFAMBDXUKX-IBGZPJMESA-N 0 0 345.826 2.755 50 0 EFAARN O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000085559079 472257461 /nfs/dbraw/zinc/25/74/61/472257461.db2.gz CLISUPUNZDJPFX-INIZCTEOSA-N 0 0 331.799 2.667 50 0 EFAARN CCOC(=O)c1nnnn1[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000043804407 472264497 /nfs/dbraw/zinc/26/44/97/472264497.db2.gz MLQBCFRXVLEDSP-ZCFIWIBFSA-N 0 0 349.700 2.526 50 0 EFAARN COCCn1ccc2ccc(C(=O)N[C@H]3CCOC(C)(C)C3)cc21 ZINC000085877378 472269824 /nfs/dbraw/zinc/26/98/24/472269824.db2.gz ZIOZKUAJKRPBLT-INIZCTEOSA-N 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/nfs/dbraw/zinc/34/98/61/472349861.db2.gz FNXVIMLGINJXIS-SNAWJCMRSA-N 0 0 339.438 2.586 50 0 EFAARN COCc1nc2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[nH]1 ZINC000044901620 472350475 /nfs/dbraw/zinc/35/04/75/472350475.db2.gz ZQZWOGRYFPXQOF-UHFFFAOYSA-N 0 0 341.367 2.979 50 0 EFAARN COCCN(C(C)=O)c1nc(C)c(C(=O)NC2CCCCC2)s1 ZINC000044902389 472350863 /nfs/dbraw/zinc/35/08/63/472350863.db2.gz LCDDZXPBYGAVMZ-UHFFFAOYSA-N 0 0 339.461 2.513 50 0 EFAARN COCc1nnc(NC(=O)c2csc(NC3CCCC3)n2)s1 ZINC000044921315 472353955 /nfs/dbraw/zinc/35/39/55/472353955.db2.gz YULVAGZHIPFXRF-UHFFFAOYSA-N 0 0 339.446 2.748 50 0 EFAARN COc1cc(C(=O)NCCSc2ccccn2)cc(OC)c1OC ZINC000030952776 472355597 /nfs/dbraw/zinc/35/55/97/472355597.db2.gz VMKBEADIQBZDAB-UHFFFAOYSA-N 0 0 348.424 2.630 50 0 EFAARN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000031538516 472381012 /nfs/dbraw/zinc/38/10/12/472381012.db2.gz JNHJGXQUDOYJAK-IYRCEVNGSA-N 0 0 348.483 2.603 50 0 endogenous,in-man EFAARN Cc1cc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c(C)s1 ZINC000057145058 472385945 /nfs/dbraw/zinc/38/59/45/472385945.db2.gz TWDQUACVDZCRCK-UHFFFAOYSA-N 0 0 330.457 2.922 50 0 EFAARN Cc1nnc(=O)[nH]c1SCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000031773523 472393882 /nfs/dbraw/zinc/39/38/82/472393882.db2.gz CQGBLQYOYAVGHS-UHFFFAOYSA-N 0 0 332.429 2.502 50 0 EFAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(O)cc1)CC(=O)N2 ZINC000031820697 472398220 /nfs/dbraw/zinc/39/82/20/472398220.db2.gz MZPUFFZJLCWQIG-LBPRGKRZSA-N 0 0 337.339 2.506 50 0 EFAARN Cc1cc2c(ncnc2NCCC(=O)NCc2ccncc2)s1 ZINC000031868856 472400131 /nfs/dbraw/zinc/40/01/31/472400131.db2.gz FKUQQKQJYJSECZ-UHFFFAOYSA-N 0 0 327.413 2.513 50 0 EFAARN CCCn1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)n1 ZINC000057280470 472409100 /nfs/dbraw/zinc/40/91/00/472409100.db2.gz XCVQXUISPHYVNZ-UHFFFAOYSA-N 0 0 326.400 2.799 50 0 EFAARN COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2c1cccc2Cl ZINC000032075007 472411782 /nfs/dbraw/zinc/41/17/82/472411782.db2.gz JUZFTYXREZAHCQ-KRWDZBQOSA-N 0 0 331.755 2.761 50 0 EFAARN NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000032074746 472412181 /nfs/dbraw/zinc/41/21/81/472412181.db2.gz PGZXNUXGHFWRML-SFHVURJKSA-N 0 0 347.418 2.780 50 0 EFAARN O=C(Nc1ccccc1F)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000032097272 472413448 /nfs/dbraw/zinc/41/34/48/472413448.db2.gz BCBDITPLYVFZHS-UHFFFAOYSA-N 0 0 347.367 2.578 50 0 EFAARN CC(=O)NCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000032095665 472413702 /nfs/dbraw/zinc/41/37/02/472413702.db2.gz QTSPLMDADWNWEG-UHFFFAOYSA-N 0 0 335.407 2.556 50 0 EFAARN CC(=O)c1cn(CC(=O)N=c2[nH]c3ccccc3[nH]2)c2ccccc12 ZINC000032096766 472413751 /nfs/dbraw/zinc/41/37/51/472413751.db2.gz DEBMBXRRLXDFPY-UHFFFAOYSA-N 0 0 332.363 2.781 50 0 EFAARN Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000032093300 472413819 /nfs/dbraw/zinc/41/38/19/472413819.db2.gz GPSKMLCYIHZJKN-CQSZACIVSA-N 0 0 327.359 2.516 50 0 EFAARN COc1ccc(-n2cnc3cc(C(=O)NC(C)C)ccc3c2=O)cc1 ZINC000032092648 472414313 /nfs/dbraw/zinc/41/43/13/472414313.db2.gz IIRBYMZFVJGKNM-UHFFFAOYSA-N 0 0 337.379 2.533 50 0 EFAARN COc1ccc(-c2nnc3sc(-c4cn(C)nc4C)nn32)cc1 ZINC000032095708 472414325 /nfs/dbraw/zinc/41/43/25/472414325.db2.gz RMWWIILALOHRDF-UHFFFAOYSA-N 0 0 326.385 2.570 50 0 EFAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 ZINC000032093546 472414592 /nfs/dbraw/zinc/41/45/92/472414592.db2.gz CSHHMCNGRFQKCI-UHFFFAOYSA-N 0 0 332.363 2.907 50 0 EFAARN O=C(Cn1ccc2c1cccc2Cl)N1CCC2(CC1)OCCO2 ZINC000032102245 472415526 /nfs/dbraw/zinc/41/55/26/472415526.db2.gz ZAPSMMDORYMJIY-UHFFFAOYSA-N 0 0 334.803 2.660 50 0 EFAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000032124405 472416171 /nfs/dbraw/zinc/41/61/71/472416171.db2.gz JDECGLWLWIKGOB-UHFFFAOYSA-N 0 0 346.390 2.947 50 0 biogenic EFAARN Cn1c(C(=O)NCCNC(=O)CC2CCCCC2)cc2ccccc21 ZINC000032102085 472416396 /nfs/dbraw/zinc/41/63/96/472416396.db2.gz HOLDCDZXUPZRKH-UHFFFAOYSA-N 0 0 341.455 2.995 50 0 EFAARN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000069743796 472418217 /nfs/dbraw/zinc/41/82/17/472418217.db2.gz WNIHAFRVTXASBN-BBRMVZONSA-N 0 0 344.459 2.571 50 0 EFAARN Cc1nn(C)c(N2CCOCC2)c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000069743799 472418333 /nfs/dbraw/zinc/41/83/33/472418333.db2.gz WNIHAFRVTXASBN-CJNGLKHVSA-N 0 0 344.459 2.571 50 0 EFAARN Cn1c2ccccc2nc1-c1cccc(NC(=O)[C@H]2COCCO2)c1 ZINC000057357303 472420295 /nfs/dbraw/zinc/42/02/95/472420295.db2.gz WHNZSSYNKKSBEZ-QGZVFWFLSA-N 0 0 337.379 2.594 50 0 EFAARN c1[nH]c(CC2CCCC2)nc1CN1CCN(Cc2ccccn2)CC1 ZINC000097076394 472431397 /nfs/dbraw/zinc/43/13/97/472431397.db2.gz XCCTZJSWXPTZTC-UHFFFAOYSA-N 0 0 339.487 2.855 50 0 EFAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)N1CCCCC1 ZINC000057472424 472442437 /nfs/dbraw/zinc/44/24/37/472442437.db2.gz BWUKLANXGOVZEK-UHFFFAOYSA-N 0 0 345.468 2.911 50 0 EFAARN CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(F)cc1 ZINC000057504952 472445887 /nfs/dbraw/zinc/44/58/87/472445887.db2.gz CNSNIONTAXMQFY-UHFFFAOYSA-N 0 0 349.412 2.958 50 0 EFAARN CCCCNC(=O)Cn1c(=O)cc(CC)nc1-c1cccc(F)c1 ZINC000057508073 472446310 /nfs/dbraw/zinc/44/63/10/472446310.db2.gz LBNYDQFSXRURGP-UHFFFAOYSA-N 0 0 331.391 2.528 50 0 EFAARN CC(C)(C)OC(=O)N(C[C@H]1CCCO1)Cn1nnc2ccccc21 ZINC000032602859 472446579 /nfs/dbraw/zinc/44/65/79/472446579.db2.gz FUGSGULHNZRVAD-CYBMUJFWSA-N 0 0 332.404 2.805 50 0 EFAARN Cc1cc2nc(SCC(=O)Nc3cc(C)ccc3C)[nH]c(=O)c2[nH]1 ZINC000057520986 472447186 /nfs/dbraw/zinc/44/71/86/472447186.db2.gz IFZMCWKIQSQUSJ-UHFFFAOYSA-N 0 0 342.424 2.907 50 0 EFAARN Cc1cc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c2[nH]1 ZINC000057520802 472447217 /nfs/dbraw/zinc/44/72/17/472447217.db2.gz AWLXZWWAGJCTOJ-UHFFFAOYSA-N 0 0 348.815 2.944 50 0 EFAARN Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045705015 472447782 /nfs/dbraw/zinc/44/77/82/472447782.db2.gz ZGUHYTYPTJOCSG-UHFFFAOYSA-N 0 0 343.427 2.871 50 0 EFAARN Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(C)c(=O)c2[nH]1 ZINC000057521358 472448088 /nfs/dbraw/zinc/44/80/88/472448088.db2.gz PZMJQHXQTYALTF-UHFFFAOYSA-N 0 0 342.424 2.609 50 0 EFAARN COc1cccc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC000057511569 472448112 /nfs/dbraw/zinc/44/81/12/472448112.db2.gz WLSDENXKIDCMNW-UHFFFAOYSA-N 0 0 342.786 2.859 50 0 EFAARN O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)NC2CC2)o1 ZINC000032644067 472449815 /nfs/dbraw/zinc/44/98/15/472449815.db2.gz SVKDDTDFNIBCGK-UHFFFAOYSA-N 0 0 340.788 2.626 50 0 EFAARN Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1 ZINC000077137495 472458776 /nfs/dbraw/zinc/45/87/76/472458776.db2.gz RPPBBUIUHOXMRC-UHFFFAOYSA-N 0 0 339.443 2.536 50 0 EFAARN Cc1cn2c(n1)CC[C@H](NC(=O)Cc1csc(-c3ccco3)n1)C2 ZINC000097198195 472473620 /nfs/dbraw/zinc/47/36/20/472473620.db2.gz NIUKLHRVRXXDHJ-LBPRGKRZSA-N 0 0 342.424 2.582 50 0 EFAARN CC(C)c1nnc2n1C[C@H](NC(=O)Cc1ccc3c(c1)CCC3)CC2 ZINC000097198025 472474298 /nfs/dbraw/zinc/47/42/98/472474298.db2.gz DDURAJXRHQCZQC-QGZVFWFLSA-N 0 0 338.455 2.564 50 0 EFAARN CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc3ncsc3c1)CC2 ZINC000097198790 472474654 /nfs/dbraw/zinc/47/46/54/472474654.db2.gz YLUAUWKVQXJJOL-LBPRGKRZSA-N 0 0 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Cc1nc(C(=O)N2CC[C@H](c3noc(-c4ccco4)n3)C2)cs1 ZINC000253473394 474760105 /nfs/dbraw/zinc/76/01/05/474760105.db2.gz USQWQIWQSZTVLX-JTQLQIEISA-N 0 0 330.369 2.724 50 0 EFAARN O=C(NCCc1cccs1)c1ccc(OC[C@H]2CCCO2)nc1 ZINC000253473779 474760603 /nfs/dbraw/zinc/76/06/03/474760603.db2.gz YKFDWVXDYRATQD-CQSZACIVSA-N 0 0 332.425 2.673 50 0 EFAARN CCCOc1ccc(CCC(=O)N[C@H](Cn2nccn2)C(C)C)cc1 ZINC000253473718 474761124 /nfs/dbraw/zinc/76/11/24/474761124.db2.gz XMEUFKYPHJQFQH-GOSISDBHSA-N 0 0 344.459 2.841 50 0 EFAARN O=C(NCc1ccccc1)c1ncn(-c2ccc(OC(F)F)cc2)n1 ZINC000261490643 474979744 /nfs/dbraw/zinc/97/97/44/474979744.db2.gz RPFBGIMUYJGKSH-UHFFFAOYSA-N 0 0 344.321 2.799 50 0 EFAARN CCc1nc(C)c(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000292473003 475045556 /nfs/dbraw/zinc/04/55/56/475045556.db2.gz PYWKAZSZMSFVQS-CYBMUJFWSA-N 0 0 339.399 2.608 50 0 EFAARN Cn1nccc1[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000281241389 475131227 /nfs/dbraw/zinc/13/12/27/475131227.db2.gz KVNRSLCPQGGNOB-IQIBNGDESA-N 0 0 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/nfs/dbraw/zinc/80/18/19/476801819.db2.gz IAUDKJOARONLOR-UHFFFAOYSA-N 0 0 347.371 2.663 50 0 EFAARN COc1ccc(C(=O)NCc2nccnc2-c2ccco2)cc1F ZINC000390830278 476801961 /nfs/dbraw/zinc/80/19/61/476801961.db2.gz JXNPLSUMEWKGKU-UHFFFAOYSA-N 0 0 327.315 2.814 50 0 EFAARN Cn1ccc([C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n1 ZINC000390828882 476802015 /nfs/dbraw/zinc/80/20/15/476802015.db2.gz CBCYPVRXYWWOOO-CQSZACIVSA-N 0 0 337.379 2.546 50 0 EFAARN COc1ccc(CCC(=O)NCc2nccnc2-c2ccco2)cc1 ZINC000390828587 476802076 /nfs/dbraw/zinc/80/20/76/476802076.db2.gz BHRYLPJXVICQMH-UHFFFAOYSA-N 0 0 337.379 2.994 50 0 EFAARN CCCc1nnsc1C(=O)NC1(c2cccs2)CCOCC1 ZINC000390828331 476802184 /nfs/dbraw/zinc/80/21/84/476802184.db2.gz QJSUMJOTUYJNSH-UHFFFAOYSA-N 0 0 337.470 2.988 50 0 EFAARN O=C(/C=C/c1ccoc1)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000390828343 476802466 /nfs/dbraw/zinc/80/24/66/476802466.db2.gz QNAFEOAMAYIPCY-IDOMTICXSA-N 0 0 329.377 3.000 50 0 EFAARN Cc1ccc(C[N@@H+]2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)c(C)c1 ZINC000426412267 477706593 /nfs/dbraw/zinc/70/65/93/477706593.db2.gz KXFSGJCIBXVSIE-KRWDZBQOSA-N 0 0 327.428 2.964 50 0 EFAARN CN(C)c1ccccc1-c1ccc([C@@H](O)CN2CCOCC2)cc1 ZINC000426419904 477709541 /nfs/dbraw/zinc/70/95/41/477709541.db2.gz DOMFOBLTENNVCJ-FQEVSTJZSA-N 0 0 326.440 2.785 50 0 EFAARN Cc1cc(C)n(CCNC(=O)N2CCCC[C@H]2c2nccs2)n1 ZINC000426438876 477709981 /nfs/dbraw/zinc/70/99/81/477709981.db2.gz MIXNQHHVYCUJDP-AWEZNQCLSA-N 0 0 333.461 2.893 50 0 EFAARN Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1 ZINC000426442957 477710373 /nfs/dbraw/zinc/71/03/73/477710373.db2.gz NLXUBLCVVFCBNP-QGZVFWFLSA-N 0 0 337.423 2.703 50 0 EFAARN NC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl ZINC000426438934 477711065 /nfs/dbraw/zinc/71/10/65/477711065.db2.gz TUFZCKMWJWRZJX-GFCCVEGCSA-N 0 0 344.242 2.933 50 0 EFAARN Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC(c3ccncc3)CC2)n1 ZINC000426518150 477712143 /nfs/dbraw/zinc/71/21/43/477712143.db2.gz AZJSBSLYVOFJAU-HNNXBMFYSA-N 0 0 341.459 2.873 50 0 EFAARN Cc1nccc(C2CCN(C(=O)Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000426526450 477713775 /nfs/dbraw/zinc/71/37/75/477713775.db2.gz PPRHHIGCTOTFMH-UHFFFAOYSA-N 0 0 335.411 2.610 50 0 EFAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cccn3cnnc23)no1 ZINC000426523336 477713875 /nfs/dbraw/zinc/71/38/75/477713875.db2.gz CJDJGFGGLHBSJH-AWEZNQCLSA-N 0 0 325.372 2.818 50 0 EFAARN O=C(NCc1c[nH]nc1-c1ccccc1)c1cccc(-c2nc[nH]n2)c1 ZINC000426523483 477714169 /nfs/dbraw/zinc/71/41/69/477714169.db2.gz NIRADHHUSBKSFE-UHFFFAOYSA-N 0 0 344.378 2.792 50 0 EFAARN COc1cccc([C@@H](C)NC(=O)N(CCCO)Cc2cccnc2)c1 ZINC000426527758 477715433 /nfs/dbraw/zinc/71/54/33/477715433.db2.gz KAMAMGNHKAVYFP-OAHLLOKOSA-N 0 0 343.427 2.745 50 0 EFAARN Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCc3ccco3)c2n1 ZINC000426531749 477715987 /nfs/dbraw/zinc/71/59/87/477715987.db2.gz OPZQRWJDGXDRNM-UHFFFAOYSA-N 0 0 338.289 2.622 50 0 EFAARN CN(Cc1cc(C2CC2)on1)C(=O)c1cc(=O)n(C)c2ccccc12 ZINC000426541494 477718650 /nfs/dbraw/zinc/71/86/50/477718650.db2.gz PQUXSGUJCAGXFO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/72/23/59/477722359.db2.gz RJRXZPSYMNPDGI-OAHLLOKOSA-N 0 0 330.432 2.962 50 0 EFAARN CCc1cc(C(=O)N2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)on1 ZINC000426597422 477725409 /nfs/dbraw/zinc/72/54/09/477725409.db2.gz PCOMNGKEVLHYST-VDZJLULYSA-N 0 0 348.443 2.816 50 0 EFAARN C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1nnc(N)s1 ZINC000426613652 477725863 /nfs/dbraw/zinc/72/58/63/477725863.db2.gz QWUNUSCCCOEGJL-MRVPVSSYSA-N 0 0 331.426 2.735 50 0 EFAARN Cc1cc(C)n(CC2(CNC(=O)Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000426615342 477725922 /nfs/dbraw/zinc/72/59/22/477725922.db2.gz AMOPVHHPSVQGAQ-UHFFFAOYSA-N 0 0 337.427 2.515 50 0 EFAARN COc1cccc([C@@H]2CCN(C(=O)N[C@H]3CC[C@H](O)CC3)C2)c1OC ZINC000426623018 477727299 /nfs/dbraw/zinc/72/72/99/477727299.db2.gz PYSKGBUPUFUDNK-RBSFLKMASA-N 0 0 348.443 2.506 50 0 EFAARN Cc1nn(C)c(C(=O)N2CCC(OCc3ccccn3)CC2)c1Cl ZINC000426658488 477734042 /nfs/dbraw/zinc/73/40/42/477734042.db2.gz PWZGIXQPGDCANM-UHFFFAOYSA-N 0 0 348.834 2.598 50 0 EFAARN Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@H](c4ncon4)C3)c2c1 ZINC000426658461 477734215 /nfs/dbraw/zinc/73/42/15/477734215.db2.gz QJZOWBSFNMNUFV-LBPRGKRZSA-N 0 0 338.367 2.652 50 0 EFAARN Cc1cc2nc(CCC(=O)NCc3ncc(Cl)cn3)[nH]c2cc1C ZINC000426677403 477736749 /nfs/dbraw/zinc/73/67/49/477736749.db2.gz GUGOUQBTJYCNHU-UHFFFAOYSA-N 0 0 343.818 2.872 50 0 EFAARN COc1ccccc1CCNC(=O)N(C)CCCc1c(C)n[nH]c1C ZINC000426684365 477737620 /nfs/dbraw/zinc/73/76/20/477737620.db2.gz GKKMQZKQLYGBSA-UHFFFAOYSA-N 0 0 344.459 2.852 50 0 EFAARN CCn1cc(CN(C)C(=O)CN(C)Cc2ccc(C)cc2)c(C)n1 ZINC000426691173 477737964 /nfs/dbraw/zinc/73/79/64/477737964.db2.gz KGGYNXSRQAMFIG-UHFFFAOYSA-N 0 0 328.460 2.610 50 0 EFAARN O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N(Cc1cocn1)Cc1cocn1 ZINC000426690667 477738300 /nfs/dbraw/zinc/73/83/00/477738300.db2.gz MWLXGMNINGSNRK-QLFBSQMISA-N 0 0 342.399 2.977 50 0 EFAARN O=C(NCCCC[C@@H]1CCCO1)N1CCC(Oc2ccncc2)CC1 ZINC000426689062 477739092 /nfs/dbraw/zinc/73/90/92/477739092.db2.gz BRROUCRLOHIWII-MRXNPFEDSA-N 0 0 347.459 2.984 50 0 EFAARN CO[C@]12CCN(C(=O)c3cc(C)on3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426690214 477739307 /nfs/dbraw/zinc/73/93/07/477739307.db2.gz BTTWEIRNQORJRY-UWWQBHOKSA-N 0 0 334.416 2.562 50 0 EFAARN CCc1cc(CN(C)C(=O)NCc2cn3cccc(C)c3n2)on1 ZINC000426707384 477739632 /nfs/dbraw/zinc/73/96/32/477739632.db2.gz IWKHSLRBDQMKDC-UHFFFAOYSA-N 0 0 327.388 2.535 50 0 EFAARN O=C(NCCc1nc(-c2ccccc2)cs1)N1CCC[C@@H](O)C1 ZINC000426712160 477742401 /nfs/dbraw/zinc/74/24/01/477742401.db2.gz OLWCYVPLSJIFOM-CQSZACIVSA-N 0 0 331.441 2.519 50 0 EFAARN CCN(Cc1noc(C2CCC2)n1)c1cc([C@H]2CCOC2)ncn1 ZINC000426722398 477743383 /nfs/dbraw/zinc/74/33/83/477743383.db2.gz HMVFHPAXZDCZMJ-ZDUSSCGKSA-N 0 0 329.404 2.658 50 0 EFAARN C[C@H](NC(=O)N(C)C1CCOCC1)c1cnn(-c2ccccc2)c1 ZINC000426740407 477745355 /nfs/dbraw/zinc/74/53/55/477745355.db2.gz HYNLOZCDTKVUIV-AWEZNQCLSA-N 0 0 328.416 2.754 50 0 EFAARN CCc1nccn1CCC(=O)NCc1nc(-c2ccccc2C)no1 ZINC000534574409 478157398 /nfs/dbraw/zinc/15/73/98/478157398.db2.gz BDLJXMAJLSYVJD-UHFFFAOYSA-N 0 0 339.399 2.510 50 0 EFAARN O=C(NCCNC(=O)c1ccccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000534581807 478160063 /nfs/dbraw/zinc/16/00/63/478160063.db2.gz DCGHGNKRUOAMTB-YWPYICTPSA-N 0 0 335.835 2.558 50 0 EFAARN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc2ccnn21 ZINC000534590938 478160529 /nfs/dbraw/zinc/16/05/29/478160529.db2.gz KDQUOATUXULCBV-AWEZNQCLSA-N 0 0 338.386 2.730 50 0 EFAARN CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2nccc(N)n2)cc1 ZINC000534590194 478160603 /nfs/dbraw/zinc/16/06/03/478160603.db2.gz CIVUQTWBLSQHIZ-MRXNPFEDSA-N 0 0 340.427 2.587 50 0 EFAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000534585462 478160839 /nfs/dbraw/zinc/16/08/39/478160839.db2.gz VAGGDCNNVIBAKJ-VIFPVBQESA-N 0 0 341.458 2.666 50 0 EFAARN Cc1nc2c([nH]1)CCN(C(=O)NCc1csc3c1CCCC3)C2 ZINC000534631738 478163338 /nfs/dbraw/zinc/16/33/38/478163338.db2.gz NYNPHXSOGOWLOA-UHFFFAOYSA-N 0 0 330.457 2.926 50 0 EFAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1cc(=O)[nH]cn1 ZINC000534630540 478163418 /nfs/dbraw/zinc/16/34/18/478163418.db2.gz SIWIPFWTVNGLBS-HNNXBMFYSA-N 0 0 329.404 2.650 50 0 EFAARN CCCC[C@H]1C=CCN1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000534636365 478163517 /nfs/dbraw/zinc/16/35/17/478163517.db2.gz KHPZMAMJRYUAQK-HNNXBMFYSA-N 0 0 326.404 2.507 50 0 EFAARN COCC1(CNC(=O)N(Cc2ccsc2)C[C@H]2CCCO2)CC1 ZINC000534634185 478163795 /nfs/dbraw/zinc/16/37/95/478163795.db2.gz XSDOZHAXMNJITK-OAHLLOKOSA-N 0 0 338.473 2.865 50 0 EFAARN CC(C)c1nc(CN(C)C(=O)NCc2noc(C3CC3)n2)cs1 ZINC000534655026 478165998 /nfs/dbraw/zinc/16/59/98/478165998.db2.gz BBRSLCSAFSOIRF-UHFFFAOYSA-N 0 0 335.433 2.869 50 0 EFAARN C[C@H](NC(=O)NCC1(O)CCCCC1)c1nc2ccccc2n1C ZINC000534649242 478166279 /nfs/dbraw/zinc/16/62/79/478166279.db2.gz OAYWKOXSVNSBAP-ZDUSSCGKSA-N 0 0 330.432 2.629 50 0 EFAARN O=C(CN1CCCC1=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000534652314 478166374 /nfs/dbraw/zinc/16/63/74/478166374.db2.gz XSFRAFFJRZVKPL-SFHVURJKSA-N 0 0 343.814 2.563 50 0 EFAARN CC(C)C[C@@]1(CO)CCCN(C(=O)NCCCNc2cccnc2)C1 ZINC000534660608 478166708 /nfs/dbraw/zinc/16/67/08/478166708.db2.gz VRWGJQHFPGQXMZ-IBGZPJMESA-N 0 0 348.491 2.714 50 0 EFAARN CC(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000534658873 478167030 /nfs/dbraw/zinc/16/70/30/478167030.db2.gz DOCPQNIPITUDKQ-LJQANCHMSA-N 0 0 343.471 2.834 50 0 EFAARN Cc1cccc(CN2CCN(C(=O)NC3(C(C)C)CC3)[C@@H](C)C2=O)c1 ZINC000534660290 478167155 /nfs/dbraw/zinc/16/71/55/478167155.db2.gz YBHMNNNIUFAQAZ-INIZCTEOSA-N 0 0 343.471 2.926 50 0 EFAARN Cc1cc(C[C@@H](C)NC(=O)N2CC(Oc3c(C)cccc3C)C2)[nH]n1 ZINC000534660153 478167519 /nfs/dbraw/zinc/16/75/19/478167519.db2.gz AZBSOYNFASOHAO-CQSZACIVSA-N 0 0 342.443 2.739 50 0 EFAARN COc1ccc(OC)c([C@H](C)NC(=O)N(C)Cc2nc(C)c[nH]2)c1 ZINC000534656684 478167545 /nfs/dbraw/zinc/16/75/45/478167545.db2.gz AMFHIDNUIKSXMS-LBPRGKRZSA-N 0 0 332.404 2.638 50 0 EFAARN O=C(NCc1csc(-c2cnccn2)n1)N1CCC(F)(F)CC1 ZINC000534667060 478168374 /nfs/dbraw/zinc/16/83/74/478168374.db2.gz ODRWKIDTARRKNY-UHFFFAOYSA-N 0 0 339.371 2.541 50 0 EFAARN COc1cccc(-c2cc(CNC(=O)C[C@H](C)n3cccn3)no2)c1 ZINC000534666262 478168982 /nfs/dbraw/zinc/16/89/82/478168982.db2.gz HUFDLGJEXALZFG-ZDUSSCGKSA-N 0 0 340.383 2.814 50 0 EFAARN COc1c[nH]c(C(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)cc1=O ZINC000524729644 478389240 /nfs/dbraw/zinc/38/92/40/478389240.db2.gz BULBHUXSOLNHPZ-AWEZNQCLSA-N 0 0 337.379 2.672 50 0 biogenic EFAARN Cc1cc2c(c(=O)n1C)[C@H](C1=Cc3ccccc3O[C@H]1C)CC(=O)O2 ZINC000524730343 478389339 /nfs/dbraw/zinc/38/93/39/478389339.db2.gz GBUMOCNAICKFNH-WFASDCNBSA-N 0 0 337.375 2.951 50 0 biogenic EFAARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2[nH]cnc2c1 ZINC000524735223 478391216 /nfs/dbraw/zinc/39/12/16/478391216.db2.gz HTOZDFQKRIXKIO-UHFFFAOYSA-N 0 0 339.403 2.529 50 0 EFAARN Cc1ccc(NC(=O)c2ncn(C[C@@H](O)c3ccccc3)n2)c(C)c1 ZINC000583648964 478904465 /nfs/dbraw/zinc/90/44/65/478904465.db2.gz GDWOLELYFINPHM-QGZVFWFLSA-N 0 0 336.395 2.881 50 0 EFAARN Cc1ccc(NC(=O)c2ncn(C[C@@H](O)c3ccccc3)n2)cc1C ZINC000583649825 478906785 /nfs/dbraw/zinc/90/67/85/478906785.db2.gz XLZZYXOOYIHDIP-QGZVFWFLSA-N 0 0 336.395 2.881 50 0 EFAARN CC(C)[C@@H](CCNC(=O)CCn1cnnn1)c1ccc(Cl)cc1 ZINC000583652537 478907334 /nfs/dbraw/zinc/90/73/34/478907334.db2.gz YWIITUDNYJTTEE-OAHLLOKOSA-N 0 0 335.839 2.663 50 0 EFAARN C[C@H](NC(=O)N1CCCN(C(=O)C(F)(F)F)CC1)c1ccsc1 ZINC000584886670 479270777 /nfs/dbraw/zinc/27/07/77/479270777.db2.gz ZTRYAZZSQXFOCX-JTQLQIEISA-N 0 0 349.378 2.615 50 0 EFAARN CC[C@@H](NC(=O)N1CCN(CCOC)CC1)c1ccc(C)cc1C ZINC000584885266 479271694 /nfs/dbraw/zinc/27/16/94/479271694.db2.gz HNAOPJYFTXYHSF-GOSISDBHSA-N 0 0 333.476 2.728 50 0 EFAARN CC(C)[C@@H](CO)NC(=O)c1cccc(-c2ccc3oc(=O)[nH]c3c2)c1 ZINC000584891809 479272546 /nfs/dbraw/zinc/27/25/46/479272546.db2.gz CKZPNUXCQXILQQ-MRXNPFEDSA-N 0 0 340.379 2.947 50 0 EFAARN CC[C@H](NC(=O)N(Cc1ccccn1)C1CCCCC1)C(=O)N(C)C ZINC000584891152 479272734 /nfs/dbraw/zinc/27/27/34/479272734.db2.gz HXZFJEXHCFLRED-KRWDZBQOSA-N 0 0 346.475 2.793 50 0 EFAARN CC[C@H](NC(=O)N(Cc1cccs1)CC(C)C)C(=O)N(C)C ZINC000584890730 479272942 /nfs/dbraw/zinc/27/29/42/479272942.db2.gz RXEDMMQZDUNZEV-AWEZNQCLSA-N 0 0 325.478 2.783 50 0 EFAARN Cc1nc(-c2ccc(C(=O)N[C@@H]3COc4ccccc4C3)cc2)n(C)n1 ZINC000584888082 479273087 /nfs/dbraw/zinc/27/30/87/479273087.db2.gz MHNRXWMRLVAOIO-KRWDZBQOSA-N 0 0 348.406 2.524 50 0 EFAARN Cc1cccn2c(CC(=O)N(C)C[C@H]3Cc4ccccc4O3)cnc12 ZINC000584890513 479273424 /nfs/dbraw/zinc/27/34/24/479273424.db2.gz YWVJJOKQNWTRCX-QGZVFWFLSA-N 0 0 335.407 2.647 50 0 EFAARN COc1cccc(CCCNC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3OC)c1 ZINC000584891024 479273510 /nfs/dbraw/zinc/27/35/10/479273510.db2.gz NZDVCKQJSMTCOQ-VQFNDLOPSA-N 0 0 332.444 2.694 50 0 EFAARN O=C(NCCCSCc1ccc(F)cc1)N1CCc2n[nH]cc2C1 ZINC000584893137 479273778 /nfs/dbraw/zinc/27/37/78/479273778.db2.gz AUBIMXOODZOOGA-UHFFFAOYSA-N 0 0 348.447 2.940 50 0 EFAARN CCc1nc(CCNC(=O)N(C)Cc2cccc(SC)c2)no1 ZINC000584894699 479273989 /nfs/dbraw/zinc/27/39/89/479273989.db2.gz CXWFLPUOHGZISO-UHFFFAOYSA-N 0 0 334.445 2.738 50 0 EFAARN O=C(NCc1nc2c(s1)CCCC2)[C@H]1CC(=O)OC12CCCC2 ZINC000584892781 479274129 /nfs/dbraw/zinc/27/41/29/479274129.db2.gz DCVQEQDXJSXUFK-LLVKDONJSA-N 0 0 334.441 2.514 50 0 EFAARN CCCNc1ccccc1C(=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000584894184 479274224 /nfs/dbraw/zinc/27/42/24/479274224.db2.gz IUSCQGYLMGXNKJ-UHFFFAOYSA-N 0 0 343.471 2.983 50 0 EFAARN CC(C)c1nnsc1CNC(=O)N(C)Cc1[nH]nc2c1CCCC2 ZINC000584893857 479274470 /nfs/dbraw/zinc/27/44/70/479274470.db2.gz LZOJUZJRDKGKJJ-UHFFFAOYSA-N 0 0 348.476 2.605 50 0 EFAARN CCc1noc(CCNC(=O)CSc2ccc(Cl)cc2)n1 ZINC000584895820 479274727 /nfs/dbraw/zinc/27/47/27/479274727.db2.gz VGGXXZQDQNYMLN-UHFFFAOYSA-N 0 0 325.821 2.736 50 0 EFAARN O=c1c2c(cccc2C(F)(F)F)ncn1[C@@H]1CCc2c[nH]nc2C1 ZINC000584899427 479275337 /nfs/dbraw/zinc/27/53/37/479275337.db2.gz WJHQSOKKFMJDGC-SNVBAGLBSA-N 0 0 334.301 2.868 50 0 EFAARN CC(C)c1noc(C2CCN(C(=O)CCCn3cccn3)CC2)n1 ZINC000584898435 479275430 /nfs/dbraw/zinc/27/54/30/479275430.db2.gz KVHHKEGLWCZVGO-UHFFFAOYSA-N 0 0 331.420 2.576 50 0 EFAARN Cc1ccccc1CN1CCN(C(=O)CCc2cccn2C)CC1 ZINC000584897250 479275446 /nfs/dbraw/zinc/27/54/46/479275446.db2.gz KMVWVICPQAILGS-UHFFFAOYSA-N 0 0 325.456 2.611 50 0 EFAARN C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000584899125 479275666 /nfs/dbraw/zinc/27/56/66/479275666.db2.gz JJARZTFGDQVPBK-NSHDSACASA-N 0 0 346.399 2.592 50 0 EFAARN O=C(NCc1nc2c(s1)CCCC2)c1ccccc1-c1nc[nH]n1 ZINC000584900030 479275706 /nfs/dbraw/zinc/27/57/06/479275706.db2.gz LKWZFBCMKFOBLZ-UHFFFAOYSA-N 0 0 339.424 2.737 50 0 EFAARN CCc1nc(C)sc1CNC(=O)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000584898577 479275901 /nfs/dbraw/zinc/27/59/01/479275901.db2.gz KGUCQGPLPNXOMH-AWEZNQCLSA-N 0 0 347.488 2.832 50 0 EFAARN COCCOc1ccc(CNC(=O)N2CCC(F)(F)CC2)cc1 ZINC000584903318 479276297 /nfs/dbraw/zinc/27/62/97/479276297.db2.gz CEDVLKOCSWVFCE-UHFFFAOYSA-N 0 0 328.359 2.653 50 0 EFAARN Cc1nccn1C[C@H]1CCCN(C(=O)Cc2noc3ccccc32)C1 ZINC000584903137 479276506 /nfs/dbraw/zinc/27/65/06/479276506.db2.gz VSHZEAIJXXISQX-OAHLLOKOSA-N 0 0 338.411 2.814 50 0 EFAARN Cc1noc(CN(C)C(=O)NCCCSC2CCCCC2)n1 ZINC000584901039 479277245 /nfs/dbraw/zinc/27/72/45/479277245.db2.gz SZCQEWNOHYVVLU-UHFFFAOYSA-N 0 0 326.466 2.975 50 0 EFAARN COc1cc(COC(=O)c2cccc(NC(=O)N(C)C)c2)sn1 ZINC000585135762 479295780 /nfs/dbraw/zinc/29/57/80/479295780.db2.gz AHNVBROMCFUCQL-UHFFFAOYSA-N 0 0 335.385 2.602 50 0 EFAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccn(C)n2)no1 ZINC000585136827 479296015 /nfs/dbraw/zinc/29/60/15/479296015.db2.gz UKPKSMNBJYOWPF-AWEZNQCLSA-N 0 0 343.362 2.736 50 0 EFAARN CC(C)[C@H](NC(=O)c1ccccc1)c1nc(-c2ccn(C)n2)no1 ZINC000585136871 479296045 /nfs/dbraw/zinc/29/60/45/479296045.db2.gz WQKQREYMFMIHGF-AWEZNQCLSA-N 0 0 325.372 2.597 50 0 EFAARN C[C@@H]1CCc2c(sc3[nH]c(Cn4ccccc4=O)nc(=O)c23)C1 ZINC000585137185 479296153 /nfs/dbraw/zinc/29/61/53/479296153.db2.gz LMYIPMVAALDMGZ-SNVBAGLBSA-N 0 0 327.409 2.732 50 0 EFAARN O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000585137004 479296813 /nfs/dbraw/zinc/29/68/13/479296813.db2.gz CLMSWPHQVDTWQU-JTQLQIEISA-N 0 0 333.779 2.556 50 0 EFAARN CC(C)(C)c1cc(NC(=O)NC2(CC(N)=O)CCC2)n(C(C)(C)C)n1 ZINC000585136071 479296848 /nfs/dbraw/zinc/29/68/48/479296848.db2.gz OXBBDNOPEQBKGW-UHFFFAOYSA-N 0 0 349.479 2.855 50 0 EFAARN CNC(=O)COc1ccc(Br)cc1C(=O)C(C)(C)C ZINC000585138598 479297897 /nfs/dbraw/zinc/29/78/97/479297897.db2.gz KZMDPABHWPKOBW-UHFFFAOYSA-N 0 0 328.206 2.803 50 0 EFAARN Cn1ccc(C(=O)N2CCC(Cc3nc(C(C)(C)C)co3)CC2)n1 ZINC000585138931 479298130 /nfs/dbraw/zinc/29/81/30/479298130.db2.gz POUQIBUDBVAWEH-UHFFFAOYSA-N 0 0 330.432 2.801 50 0 EFAARN O=S(=O)(NC[C@H](c1ccco1)c1cccs1)c1cccnc1 ZINC000585146708 479299650 /nfs/dbraw/zinc/29/96/50/479299650.db2.gz FUORWWOJGMQHHI-CYBMUJFWSA-N 0 0 334.422 2.847 50 0 EFAARN COc1ccc(Cl)cc1C(=O)N1CC[C@H](Oc2ccnc(C)n2)C1 ZINC000585147103 479299735 /nfs/dbraw/zinc/29/97/35/479299735.db2.gz HTPZDMFMNJITGM-ZDUSSCGKSA-N 0 0 347.802 2.741 50 0 EFAARN CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000585146921 479300128 /nfs/dbraw/zinc/30/01/28/479300128.db2.gz NGRRETOPAPXXHO-SXSDINLZSA-N 0 0 335.469 2.762 50 0 EFAARN O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)OC1CCCC1 ZINC000585149222 479300265 /nfs/dbraw/zinc/30/02/65/479300265.db2.gz OMWMTRXLAJHOBC-SECBINFHSA-N 0 0 332.326 2.572 50 0 EFAARN O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1 ZINC000585148214 479300341 /nfs/dbraw/zinc/30/03/41/479300341.db2.gz RCHLDRDKCCJCFF-KRWDZBQOSA-N 0 0 343.404 2.959 50 0 EFAARN Cc1noc(C)c1CC(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148010 479300499 /nfs/dbraw/zinc/30/04/99/479300499.db2.gz MDYZUQLGBPVDEK-KRWDZBQOSA-N 0 0 340.379 2.944 50 0 EFAARN CC[C@@H](C(=O)N[C@H]1CCc2nc(N(C)C)ncc2C1)c1ccccc1 ZINC000585150242 479300538 /nfs/dbraw/zinc/30/05/38/479300538.db2.gz IBEFOTHKPGLSCE-DLBZAZTESA-N 0 0 338.455 2.710 50 0 EFAARN CSc1ccc(CCC(=O)N2CCN(c3cnsn3)CC2)cc1 ZINC000585148961 479300548 /nfs/dbraw/zinc/30/05/48/479300548.db2.gz 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ZINC000215072260 536487515 /nfs/dbraw/zinc/48/75/15/536487515.db2.gz VIFDJXGHZHQSFM-UHFFFAOYSA-N 0 0 334.441 2.589 50 0 EFAARN COc1ccc(F)cc1[C@H](NC(=O)c1ccncc1F)[C@H]1C[C@H](O)C1 ZINC000244882854 536640227 /nfs/dbraw/zinc/64/02/27/536640227.db2.gz YAKYXTZWSXLHNE-ILMHXZGMSA-N 0 0 348.349 2.610 50 0 EFAARN COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000052537533 536766499 /nfs/dbraw/zinc/76/64/99/536766499.db2.gz SPSHLRKZYICJCO-UHFFFAOYSA-N 0 0 343.402 2.595 50 0 EFAARN COCCN(Cc1cccs1)C(=O)c1c(Cl)c(C)nn1C ZINC000426388061 536848491 /nfs/dbraw/zinc/84/84/91/536848491.db2.gz VOIXSLGJDVZEJH-UHFFFAOYSA-N 0 0 327.837 2.732 50 0 EFAARN COc1ccc(OCCNC(=O)Cn2ccc3ccc(F)cc32)cc1 ZINC000226848546 536848801 /nfs/dbraw/zinc/84/88/01/536848801.db2.gz ADUWDYAWQAVXRX-UHFFFAOYSA-N 0 0 342.370 2.984 50 0 EFAARN COc1ccc([C@@H](NC(=O)c2ccccc2C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244633557 536889253 /nfs/dbraw/zinc/88/92/53/536889253.db2.gz GEWKHPNPHVUIBN-RVKKMQEKSA-N 0 0 326.396 2.641 50 0 EFAARN COc1ncccc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000252495805 536902765 /nfs/dbraw/zinc/90/27/65/536902765.db2.gz PAVCBBOLJOPFII-UHFFFAOYSA-N 0 0 338.367 2.700 50 0 EFAARN COc1ccc([C@H](NC(=O)c2ccc(C)s2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252523040 536928202 /nfs/dbraw/zinc/92/82/02/536928202.db2.gz BRKIOBYYUMYCFX-ZENOOKHLSA-N 0 0 332.425 2.702 50 0 EFAARN COc1ccc([C@H](NC(=O)c2cccn2C(C)C)[C@H]2C[C@@H](O)C2)cn1 ZINC000244595018 536928786 /nfs/dbraw/zinc/92/87/86/536928786.db2.gz DMZPKFUNJFRIIB-DAYGRLMNSA-N 0 0 343.427 2.715 50 0 EFAARN COc1cccc2c1OC[C@@H](CNC(=O)c1nc(C)sc1C)C2 ZINC000215116833 536963398 /nfs/dbraw/zinc/96/33/98/536963398.db2.gz ANFKLDFPFXBFRE-GFCCVEGCSA-N 0 0 332.425 2.750 50 0 EFAARN COc1ccc2c(c1)[C@@H](C)N(C(=O)c1cnc(C3CC3)[nH]c1=O)CC2 ZINC000426496755 537006776 /nfs/dbraw/zinc/00/67/76/537006776.db2.gz AZMOFFPLLUKAOY-LLVKDONJSA-N 0 0 339.395 2.828 50 0 EFAARN COc1ccc2c(c1)c(C(=O)NC[C@H](C)n1cc(C)cn1)c(C)n2C ZINC000426389680 537015689 /nfs/dbraw/zinc/01/56/89/537015689.db2.gz MVSGYHPJMOKWSN-ZDUSSCGKSA-N 0 0 340.427 2.991 50 0 EFAARN COc1ccc2[nH]c(CCNC(=O)Cc3ccc(F)cc3F)nc2c1 ZINC000216065363 537049998 /nfs/dbraw/zinc/04/99/98/537049998.db2.gz CWZFBGJYPQOURT-UHFFFAOYSA-N 0 0 345.349 2.751 50 0 EFAARN COc1ccccc1N1CCN(C(=O)COc2ccccc2C)CC1 ZINC000000289734 537064405 /nfs/dbraw/zinc/06/44/05/537064405.db2.gz ZUFAFXJEUJWIFK-UHFFFAOYSA-N 0 0 340.423 2.731 50 0 EFAARN COc1ccccc1N1CCN(C(=O)c2cc3occc3n2C)CC1 ZINC000036358029 537066648 /nfs/dbraw/zinc/06/66/48/537066648.db2.gz OLTFPRUGJHOPBP-UHFFFAOYSA-N 0 0 339.395 2.742 50 0 EFAARN Cc1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)o1 ZINC000197575903 545554114 /nfs/dbraw/zinc/55/41/14/545554114.db2.gz KLSIJTJXQPIEJQ-UHFFFAOYSA-N 0 0 340.427 2.882 50 0 EFAARN O=C(c1ncccc1O)N1CCC2(CC1)OCCc1ccsc12 ZINC000353569085 546060861 /nfs/dbraw/zinc/06/08/61/546060861.db2.gz VORMVSKRFTXOQT-UHFFFAOYSA-N 0 0 330.409 2.553 50 0 EFAARN Cc1cc(-c2cccnc2)nn1CCNC(=O)NCc1cccs1 ZINC000390826110 546163553 /nfs/dbraw/zinc/16/35/53/546163553.db2.gz 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547489198 /nfs/dbraw/zinc/48/91/98/547489198.db2.gz RZXDHGNGNAYXAO-CYBMUJFWSA-N 0 0 337.375 2.558 50 0 EFAARN Cn1ccn2ncc(C(=O)N[C@H](CC(C)(C)C)c3cccnc3)c12 ZINC000670435778 547489495 /nfs/dbraw/zinc/48/94/95/547489495.db2.gz PCMNEWUMJYZYON-OAHLLOKOSA-N 0 0 325.416 2.975 50 0 EFAARN Cc1cccc([C@@H](NC(=O)CC2=CSC3=NCCCN23)C2CC2)n1 ZINC000670441168 547490394 /nfs/dbraw/zinc/49/03/94/547490394.db2.gz LQQNRXZFOVQRBH-KRWDZBQOSA-N 0 0 342.468 2.997 50 0 EFAARN Cc1ncc(C(=O)NCc2noc(C3CC3)n2)c(-c2ccccc2)n1 ZINC000670450791 547491278 /nfs/dbraw/zinc/49/12/78/547491278.db2.gz WLTCSZCRAVUOTP-UHFFFAOYSA-N 0 0 335.367 2.642 50 0 EFAARN O=C(CCn1cnc2ccccc21)NCc1[nH]nc2c1CCCCC2 ZINC000670455469 547492509 /nfs/dbraw/zinc/49/25/09/547492509.db2.gz QPAZJVGJKYTNOJ-UHFFFAOYSA-N 0 0 337.427 2.735 50 0 EFAARN CC(C)Cc1cc(CNC(=O)c2cc(-c3ccccn3)n[nH]2)on1 ZINC000670452698 547492650 /nfs/dbraw/zinc/49/26/50/547492650.db2.gz BTPMNJPXHHEPNM-UHFFFAOYSA-N 0 0 325.372 2.588 50 0 EFAARN Cc1cc(C)n(CCCC(=O)NCc2ccc3nsnc3c2)n1 ZINC000670459139 547493126 /nfs/dbraw/zinc/49/31/26/547493126.db2.gz BCOUJKNGYGEHGP-UHFFFAOYSA-N 0 0 329.429 2.601 50 0 EFAARN CC1(C)SC[C@@H](C(=O)NCc2ccc3sccc3c2)NC1=O ZINC000670457283 547493334 /nfs/dbraw/zinc/49/33/34/547493334.db2.gz UXCADOQBNHBYEE-LBPRGKRZSA-N 0 0 334.466 2.528 50 0 EFAARN Cn1c(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc2c1cccc2Cl ZINC000670458615 547493352 /nfs/dbraw/zinc/49/33/52/547493352.db2.gz OPDCVXSLRDBTGG-NSHDSACASA-N 0 0 328.803 2.842 50 0 EFAARN COCc1nc(-c2csc(C)n2)n(Cc2ccc(OC)cc2)n1 ZINC000670456203 547493384 /nfs/dbraw/zinc/49/33/84/547493384.db2.gz CAIDVRLXDTXHJO-UHFFFAOYSA-N 0 0 330.413 2.913 50 0 EFAARN Cc1nn(C)c2nc(C)cc(C(=O)NCc3cc(CC(C)C)no3)c12 ZINC000670459557 547493587 /nfs/dbraw/zinc/49/35/87/547493587.db2.gz ZOJBCGYQLCBONY-UHFFFAOYSA-N 0 0 341.415 2.702 50 0 EFAARN CCCn1nccc1S(=O)(=O)N1CCc2c(Cl)cccc2C1 ZINC000670461075 547494035 /nfs/dbraw/zinc/49/40/35/547494035.db2.gz FYUDGXGJQKXXNU-UHFFFAOYSA-N 0 0 339.848 2.694 50 0 EFAARN COc1c[nH]c(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1=O ZINC000670462244 547494219 /nfs/dbraw/zinc/49/42/19/547494219.db2.gz VKVYPBJXSOAGIZ-AWEZNQCLSA-N 0 0 342.395 2.724 50 0 EFAARN C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1nc(-c2ccncc2)no1 ZINC000670460763 547494254 /nfs/dbraw/zinc/49/42/54/547494254.db2.gz AOCPWUSWHFUTCM-LLVKDONJSA-N 0 0 336.351 2.558 50 0 EFAARN CC[C@H](Cn1ccnc1)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000670461985 547494269 /nfs/dbraw/zinc/49/42/69/547494269.db2.gz FEKDCCGLVSJGNZ-LLVKDONJSA-N 0 0 347.362 2.659 50 0 EFAARN COc1ccc2[nH]c(CNC(=O)c3cccc4c3CCC4=O)nc2c1 ZINC000670471427 547496473 /nfs/dbraw/zinc/49/64/73/547496473.db2.gz ATONACOAATYMFH-UHFFFAOYSA-N 0 0 335.363 2.630 50 0 EFAARN Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)cn1 ZINC000681292250 549502596 /nfs/dbraw/zinc/50/25/96/549502596.db2.gz XHDAJBHRAFCKFZ-GFCCVEGCSA-N 0 0 339.848 2.642 50 0 EFAARN CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)cn1 ZINC000681355543 549516173 /nfs/dbraw/zinc/51/61/73/549516173.db2.gz WRBZKMCXBNWLKL-HNNXBMFYSA-N 0 0 328.416 2.622 50 0 EFAARN Cc1c(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccn1C ZINC000684967758 550120023 /nfs/dbraw/zinc/12/00/23/550120023.db2.gz WZJQXVCVHOFFOC-UHFFFAOYSA-N 0 0 331.460 2.588 50 0 EFAARN O[C@@H](COCc1ccccc1)Cc1nc(COc2ccccc2)no1 ZINC000685943492 550197166 /nfs/dbraw/zinc/19/71/66/550197166.db2.gz RMZAKELMAKLJFA-MRXNPFEDSA-N 0 0 340.379 2.769 50 0 EFAARN Cc1cc2n(CCNC(=O)COc3ccc(C(C)C)cc3)ccn2n1 ZINC000225578876 563996028 /nfs/dbraw/zinc/99/60/28/563996028.db2.gz TXFHUESNHSRKAF-UHFFFAOYSA-N 0 0 340.427 2.763 50 0 EFAARN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1 ZINC000575442934 564079418 /nfs/dbraw/zinc/07/94/18/564079418.db2.gz ARLWCNQSMGWGDZ-INIZCTEOSA-N 0 0 326.400 2.514 50 0 EFAARN C[C@H](C(=O)NCCn1cccn1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000575443400 564079496 /nfs/dbraw/zinc/07/94/96/564079496.db2.gz ALRJKGBQJJDYRB-YJBOKZPZSA-N 0 0 339.439 2.715 50 0 EFAARN C[C@H](C(=O)NCCn1cccn1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000575443399 564079501 /nfs/dbraw/zinc/07/95/01/564079501.db2.gz ALRJKGBQJJDYRB-MAUKXSAKSA-N 0 0 339.439 2.715 50 0 EFAARN C[C@@H](C(=O)NCCn1cccn1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000575443390 564079512 /nfs/dbraw/zinc/07/95/12/564079512.db2.gz ALRJKGBQJJDYRB-CRAIPNDOSA-N 0 0 339.439 2.715 50 0 EFAARN CC[C@@H](C)[C@@H](C(=O)NCCn1cccc1)N1Cc2ccccc2C1=O ZINC000575443461 564079552 /nfs/dbraw/zinc/07/95/52/564079552.db2.gz JQBGJVLCAHIDIB-QAPCUYQASA-N 0 0 339.439 2.675 50 0 EFAARN CCC[C@H]1C=CCN1C(=O)c1ccc(-c2cnc3nncn3c2)cc1 ZINC000584884573 564131422 /nfs/dbraw/zinc/13/14/22/564131422.db2.gz BTWUQHCAGJAPAA-KRWDZBQOSA-N 0 0 333.395 2.972 50 0 EFAARN Cc1cc(C)cc(OCCC[N@@H+](C)Cc2cnc(C(=O)[O-])cn2)c1 ZINC001772701099 1249284142 /nfs/dbraw/zinc/28/41/42/1249284142.db2.gz HLKXTXSYQQICDT-UHFFFAOYSA-N 0 0 329.400 2.693 50 0 EFAARN CCCOc1ccccc1-c1nnc(N[C@@H]2CC(=O)N(CCC)C2)o1 ZINC001772701887 1249285372 /nfs/dbraw/zinc/28/53/72/1249285372.db2.gz CCCVWRHHZLFOKG-CYBMUJFWSA-N 0 0 344.415 2.948 50 0 EFAARN 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